# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-07T17:55:16+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical Science') AND volume = 3 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
"1514934","29.9106","0.0003","29.9106","0.0003","5.9714","0.0001","90","","90","","120","","4626.55","0.1","143.3","","143","","","","","","","","","2","P 32","P 32","145","","","","- C28 H24 -","- C28 H24 -","- C252 H216 -","9","3","","Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Deciphering mechanism of aggregation-induced emission (AIE): Is E–Z isomerisation involved in an AIE process?","Chemical Science","2012","3","2","493","","10.1039/c1sc00690h","","x-ray","0.7107","MoKα","","0.0544","0.0538","","","0.1339","0.1342","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514935","8.24","0.005","9.982","0.005","16.64","0.005","82.977","0.005","83.088","0.005","73.325","0.005","1296","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Fe N5 O -","- C13 H14 Fe N5 O -","- C52 H56 Fe4 N20 O4 -","4","2","","Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems","Chemical Science","2012","3","2","364","","10.1039/c1sc00582k","","","0.71073","MoKα","","0.0338","0.0293","","","0.0786","0.0822","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514936","10.445","0.005","11.723","0.005","11.03","0.005","90","0.005","100.177","0.005","90","0.005","1329.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Co N5 O -","- C13 H14 Co N5 O -","- C52 H56 Co4 N20 O4 -","4","1","","Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems","Chemical Science","2012","3","2","364","","10.1039/c1sc00582k","","","0.71073","MoKα","","0.0254","0.0243","","","0.0756","0.0763","","","","","","1.166","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514937","11.805","0.002","12.98","0.002","19.363","0.004","73.794","0.003","86.132","0.003","75.907","0.003","2763.3","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0733","0.0455","","","0.0983","0.1097","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514938","11.839","0.004","13.026","0.005","19.436","0.007","73.818","0.006","86.197","0.007","75.893","0.007","2791.8","1.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0678","0.0454","","","0.108","0.1188","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514939","11.8394","0.0018","13.037","0.002","19.508","0.003","73.852","0.003","86.214","0.003","75.811","0.003","2804","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0568","0.0381","","","0.0902","0.1007","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514940","11.888","0.003","13.106","0.003","19.649","0.004","73.904","0.004","86.251","0.004","75.708","0.004","2850.3","1.1","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0597","0.0401","","","0.0993","0.1117","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514941","11.881","0.003","13.093","0.004","19.706","0.006","73.971","0.005","86.265","0.005","75.654","0.005","2854.4","1.4","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0691","0.0428","","","0.107","0.1229","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514942","21.1077","0.0018","15.5695","0.0013","33.842","0.003","90","","98.773","0.006","90","","10991.6","1.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Fe3 N6 O4.75 -","- C60 H74 Fe3 N6 O4.75 -","- C480 H592 Fe24 N48 O38 -","8","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.1473","0.0635","","","0.1463","0.1819","","","","","","1.025","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514943","12.403","0.003","20.06","0.004","22.036","0.005","90","","90","","90","","5483","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 Fe3 N6 P3 -","- C65 H69 Fe3 N6 P3 -","- C260 H276 Fe12 N24 P12 -","4","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.1384","0.0625","","","0.0896","0.1096","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514944","8.6711","0.0003","9.4306","0.0004","29.5986","0.0013","90","","90","","90","","2420.39","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 F3 N2 O4 -","- C26 H25 F3 N2 O4 -","- C104 H100 F12 N8 O16 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","0.71073","MoKα","","0.1087","0.0835","","0.2219","0.1962","0.2218","","","","","","0.9893","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514945","11.9727","0.0003","24.2406","0.0007","10.481","0.0003","90","","107.399","0.001","90","","2902.67","0.14","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 F3 N O6 S -","- C31 H30 F3 N O6 S -","- C124 H120 F12 N4 O24 S4 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","0.71073","MoKα","","0.0656","0.0462","","0.1327","0.1132","0.1326","","","","","","0.9241","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514946","10.8509","0.0001","9.3445","0.0001","12.7734","0.0002","90","","107.297","0.0015","90","","1236.6","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 F3 N2 O4 -","- C27 H27 F3 N2 O4 -","- C54 H54 F6 N4 O8 -","2","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0369","0.036","","0.0957","0.0946","0.0957","","","","","","0.9957","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514947","9.3165","0.0001","14.3322","0.0001","19.705","0.0001","90","","90","","90","","2631.13","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C128 H116 N4 O16 S4 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0239","0.0237","","0.0621","0.0619","0.0621","","","","","","1.0057","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514948","30.7917","0.0004","10.2374","0.0001","11.7082","0.0002","90","","90.481","0.001","90","","3690.61","0.09","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N4 Si -","- C44 H40 N4 Si -","- C176 H160 N16 Si4 -","4","0.5","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0396","0.0366","","","0.1015","0.1043","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514949","21.7477","0.0009","13.4689","0.0006","35.5044","0.0011","90","","90","","90","","10399.9","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H26 O2 Si -","- C32 H26 O2 Si -","- C512 H416 O32 Si16 -","16","2","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0958","0.0456","","","0.077","0.0847","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514950","20.3587","0.0004","11.0369","0.0003","18.2729","0.0008","90","","93.111","0.002","90","","4099.8","0.2","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 N2 Si -","- C54 H44 N2 Si -","- C216 H176 N8 Si4 -","4","1","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.5418","CuKα","","0.0485","0.0371","","","0.0902","0.0933","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514951","13.4798","0.0019","24.491","0.003","11.104","0.0012","90","","122.469","0.003","90","","3092.8","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H42 F6 N O6 P -","- C28 H42 F6 N O6 P -","- C112 H168 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0594","0.0503","","","0.1038","0.1096","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514952","13.7552","0.0015","13.8563","0.0015","16.5085","0.0017","90","","96.093","0.003","90","","3128.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 F6 N O6 P -","- C29 H44 F6 N O6 P -","- C116 H176 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0736","0.0581","","","0.1395","0.1481","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514953","8.538","0.005","33.09","0.02","11.751","0.007","90","","97.9","0.02","90","","3288","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F6 N O6 P -","- C30 H46 F6 N O6 P -","- C120 H184 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.121","0.0754","","","0.1873","0.2115","","","","","","1.054","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514954","8.702","0.0007","32.962","0.003","11.4583","0.001","90","","93.616","0.003","90","","3280.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F6 N O7 P -","- C30 H46 F6 N O7 P -","- C120 H184 F24 N4 O28 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0864","0.0597","","","0.1283","0.1396","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514955","15.9763","0.0008","13.6353","0.0007","15.3457","0.0007","90","","104.633","0.002","90","","3234.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 F6 N O6 P -","- C29 H46 F6 N O6 P -","- C116 H184 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0947","0.0685","","","0.163","0.1806","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514956","8.3591","0.001","33.576","0.004","12.1989","0.0015","90","","99.083","0.003","90","","3380.9","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H48 F6 N O7 P -","- C30 H48 F6 N O7 P -","- C120 H192 F24 N4 O28 P4 -","4","2","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.052","0.046","","","0.1085","0.1123","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514957","11.03","0.005","12.159","0.005","12.875","0.006","112.013","0.006","104.449","0.007","96.026","0.008","1511.8","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H16 O S4 -","- C33 H16 O S4 -","- C66 H32 O2 S8 -","2","1","","Isla, Helena; Grimm, Bruno; Pérez, Emilio M.; Rosario Torres, M.; Ángeles Herranz, M.; Viruela, Rafael; Aragó, Juan; Ortí, Enrique; M. Guldi, Dirk; Martín, Nazario","Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60","Chemical Science","2012","3","2","498","","10.1039/c1sc00669j","","","0.71073","MoKα","","0.1899","0.0743","","","0.1142","0.124","","","","","","0.895","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514958","23.2637","0.0017","23.2637","0.0017","62.003","0.009","90","","90","","90","","33556","6","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H46 Br2 N4 O2 -","- C48 H46 Br2 N4 O2 -","- C1536 H1472 Br64 N128 O64 -","32","1","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1219","0.0762","","","0.1763","0.2003","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514959","17.198","0.004","17.198","0.004","15.807","0.007","90","","90","","90","","4675","3","153","2","153","2","","","","","","","","4","I -4 c 2","I -4 -2c","120","","","","- C54 H52 N4 O2 -","- C54 H52 N4 O2 -","- C216 H208 N16 O8 -","4","0.25","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1032","0.0745","","","0.1881","0.2068","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514960","13.7494","0.0019","13.7494","0.0019","35.336","0.003","90","","90","","90","","6680.1","1.4","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate dihydrate","","- C26 H30 B2 F8 Fe N10 O2 -","- C26 H30 B2 F8 Fe N10 O2 -","- C208 H240 B16 F64 Fe8 N80 O16 -","8","0.5","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0771","0.0428","","","0.1034","0.1211","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514961","9.7481","0.0002","9.7481","0.0002","17.6848","0.0005","90","","90","","90","","1680.51","0.07","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.1048","0.0909","","","0.2721","0.2881","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514962","9.8046","0.0005","9.8046","0.0005","17.8869","0.0013","90","","90","","90","","1719.47","0.18","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0952","0.0797","","","0.2612","0.2717","","","","","","2.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514963","10.064","0.0004","11.6546","0.0005","12.3944","0.0006","90","","90","","90","","1453.76","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-bis(5-methylpyrazol-3-yl)pyridine methanol solvate","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C56 H68 N20 O4 -","4","1","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0759","0.0646","","","0.1704","0.1836","","","","","","1.099","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514964","7.4169","0.0001","8.3781","0.0001","11.0339","0.0002","70.296","0.001","73.131","0.001","71.441","0.001","598.943","0.016","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 B F2 N3 -","- C13 H12 B F2 N3 -","- C26 H24 B2 F4 N6 -","2","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","1.54178","CuKα","","0.038","0.0368","","","0.0968","0.0981","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514965","12.6822","0.0013","6.9729","0.0007","13.8314","0.0014","90","","95.138","0.001","90","","1218.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B F2 N4 -","- C13 H9 B F2 N4 -","- C52 H36 B4 F8 N16 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0556","0.0444","","","0.1172","0.1288","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514966","13.589","0.0018","11.4482","0.0015","8.7135","0.0011","90","","105.519","0.001","90","","1306.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B F2 N3 O -","- C14 H12 B F2 N3 O -","- C56 H48 B4 F8 N12 O4 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.04","0.0315","","","0.0758","0.0809","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514967","14.589","0.003","11.456","0.002","8.6272","0.0015","90","","90.271","0.002","90","","1441.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 B F2 N3 O2 -","- C15 H14 B F2 N3 O2 -","- C60 H56 B4 F8 N12 O8 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0834","0.0424","","","0.0921","0.1099","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514968","7.7978","0.0007","8.4159","0.0011","25.529","0.002","91.862","0.002","95.446","0.001","117.248","0.001","1477.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C68 H44 B4 F8 N16 -","4","2","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0812","0.0492","","","0.1187","0.135","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514969","14.883","0.009","11.843","0.01","19.893","0.01","90","","118.38","0.04","90","","3085","4","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C56 H48 Ag2 F12 N12 O4 P2 -","- C56 H48 Ag2 F12 N12 O4 P2 -","- C112 H96 Ag4 F24 N24 O8 P4 -","2","0.5","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.71073","MoKα","","0.2709","0.0982","","","0.2019","0.2388","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514970","22.2009","0.0005","22.2009","0.0005","12.58554","0.00019","90","","90","","120","","5372.09","0.19","150","","150","","","","","","","","","8","P 6 2 2","P 6 2","177","","","","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C168 H144 Ag6 B3 Cl3 F12 N36 O12 -","3","0.25","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0769","0.0688","","","0.1874","0.1963","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514971","17.3366","0.0004","17.3366","0.0004","18.9739","0.0003","90","","90","","120","","4938.73","0.18","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0522","0.035","","","0.1043","0.1095","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1514972","17.3399","0.0003","17.3399","0.0003","18.6738","0.0003","90","","90","","120","","4862.47","0.14","567.3","","567.3","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0476","0.0363","","","0.112","0.1156","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514973","17.2761","0.0002","17.2761","0.0002","18.7097","0.0002","90","","90","","120","","4836.03","0.09","150","","150","","","","","","","","","5","P 63","P 6c","173","","","","- C90 H84 Ag3 N18 O6 -","- C90 H84 Ag3 N18 O6 -","- C180 H168 Ag6 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0462","0.0409","","","0.1165","0.1202","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514974","17.4164","0.0004","17.4164","0.0004","18.8187","0.0004","90","","90","","120","","4943.53","0.19","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Au3 B3 F12 N18 O6 -","- C90 H84 Au3 B3 F12 N18 O6 -","- C180 H168 Au6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0556","0.0363","","","0.0963","0.1002","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514975","12.6553","0.0003","13.0092","0.0005","15.1663","0.0004","104.239","0.003","112.9","0.003","99.765","0.003","2128.75","0.14","150.1","","150.1","","","","","","","","","8","P 1","P 1","1","","","","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","1","1","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0413","0.0391","","","0.1015","0.1045","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514976","7.95486","0.00005","10.00542","0.00006","20.80472","0.00017","90","","90","","90","","1655.88","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-Ethyl (2R,4S-dinitro-3R-phenyl-1S-cyclohexyl) acetate","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C64 H80 N8 O24 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.5418","CuKα","","0.0214","0.0211","","","0.0559","0.0562","","","","","","1.049","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514977","5.5811","0.0005","12.5943","0.0015","26.723","0.004","90","","90","","90","","1878.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2(R)-[3(R)-(4'-methoxy-phenyl)-2(R),4(S)-dinitro-1(R)cyclohexyl] propanoate","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C72 H96 N8 O28 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.54184","CuKα","","0.0992","0.0512","","","0.0983","0.1169","","","","","","0.919","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514978","10.1928","0.0005","6.6518","0.0004","12.7044","0.0006","90","","93.098","0.005","90","","860.11","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl 2-[(1S,2R,3R,4S)-2-methyl-2,4-dinitro-3- phenylcyclohexyl]acetate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C34 H44 N4 O12 -","2","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","0.71073","MoKα","","0.0831","0.0608","","","0.1323","0.1457","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514979","12.8847","0.0013","5.6274","0.0005","25.767","0.002","90","","92.776","0.009","90","","1866.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (2R)-2-[(1R,2R,3R,4S)-3-(4-methoxyphenyl)- 2,4-dinitrocyclohexyl]propanoate","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C72 H96 N8 O28 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.54184","CuKα","","0.0793","0.0527","","","0.1283","0.1433","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514980","14.6379","0.0006","11.5625","0.0005","18.7162","0.0008","90","","96.152","0.002","90","","3149.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Fe O6 Pt S4 -","- C31 H28 Fe O6 Pt S4 -","- C124 H112 Fe4 O24 Pt4 S16 -","4","1","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54178","CuKα","","0.0285","0.0266","","","0.0724","0.0741","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514981","22.814","0.0008","16.6711","0.0007","23.2989","0.0014","90","","92.135","0.002","90","","8855.2","0.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C47 H60 Co O9.75 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C224 H176 Co8 O40 Pt8 S32 -","8","1","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54184","CuKα","","0.0434","0.034","","","0.0964","0.1003","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514982","11.3784","0.0007","11.822","0.0008","22.0722","0.0014","90","","90.429","0.001","90","","2969","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H22 Co O5 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C112 H88 Co4 O20 Pt4 S16 -","4","2","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","0.71073","MoKα","","0.0279","0.0262","","","0.0561","0.0567","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514983","19.0697","0.0015","19.0697","0.0015","22.6005","0.0019","90","","90","","90","","8218.7","1.1","293","2","293","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C32.35 H29.7 Ni O6.09 Pt S4 -","- C32.352 H29.704 Ni O6.088 Pt S4 -","- C258.816 H237.632 Ni8 O48.704 Pt8 S32 -","8","0.5","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54178","CuKα","","0.0334","0.033","","","0.1064","0.1073","","","","","","1.131","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514984","8.0671","0.0001","12.5459","0.0001","15.4229","0.0002","83.045","0.001","83.617","0.001","81.899","0.001","1526.94","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","RajanBabu 1635","","","- C35 H41 B O7 -","- C35 H41 B O7 -","- C70 H82 B2 O14 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0451","0.0364","","","0.0906","0.0954","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514985","11.4194","0.0001","10.9563","0.0001","12.2162","0.0001","90","","104.877","0.001","90","","1477.19","0.02","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","RajanBabu 1762","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C56 H70 N2 O14 Si2 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0599","0.0426","","","0.1043","0.1138","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514986","10.6948","0.0001","14.0253","0.0002","18.4358","0.0002","90","","90","","90","","2765.33","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1763","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C112 H140 N4 O28 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0451","0.0397","","","0.0956","0.0978","","","","","","1.151","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514987","10.3358","0.0001","10.7754","0.0001","13.7612","0.0001","103.096","0.001","100.398","0.001","91.195","0.001","1465.19","0.02","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","RajanBabu 1761","","","- C28 H36 O6 Si2 -","- C28 H36 O6 Si2 -","- C56 H72 O12 Si4 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0649","0.04","","","0.0983","0.1088","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514988","10.1179","0.0001","13.7992","0.0001","21.5342","0.0002","90","","90","","90","","3006.58","0.05","210","2","210","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1842","","","- C29 H37 N O8 Si -","- C29 H37 N O8 Si -","- C116 H148 N4 O32 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0609","0.0395","","","0.0878","0.0958","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514989","10.8449","0.0001","13.7385","0.0001","14.5994","0.0001","78.148","0.001","75.225","0.001","70.556","0.001","1965.93","0.03","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","RajanBabu 1793","","","- C38 H47 B O8 Sn -","- C37.978 H46.89 B O8 Sn0.989 -","- C75.956 H93.78 B2 O16 Sn1.978 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.074","0.0515","","","0.1566","0.1676","","","","","","1.14","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514990","10.2127","0.0001","10.942","0.0001","28.6657","0.0003","90","","98.392","0.001","90","","3169.02","0.05","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","RajanBabu 1782","","","- C35 H39 B O8 -","- C35 H39 B O8 -","- C140 H156 B4 O32 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0999","0.0454","","","0.1082","0.1259","","","","","","1.042","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514991","16.1008","0.0013","16.9634","0.0013","25.931","0.002","90","","90","","90","","7082.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[SiP(iPr)3]Ni-CH3","","","- C37 H57 Ni P3 Si -","- C37 H57 Ni P3 Si -","- C296 H456 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0482","0.0356","","","0.0848","0.0939","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514992","47.534","0.004","13.9003","0.0011","30.423","0.002","90","","128.63","0.001","90","","15703","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{[SiP(iPr)3]Ni-N2}{BArF}","","","- C77.75 H75.75 B F24 N2 Ni P3 Si -","- C79.064 H77.064 B F24 N2 Ni P3 Si -","- C632.512 H616.512 B8 F192 N16 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.068","0.0464","","","0.114","0.1291","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514993","12.8286","0.0008","14.9103","0.001","38.095","0.003","90","","96.779","0.001","90","","7235.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","{[SiP(iPr)3]Ni-NCMe}{BArF}","","","- C70 H69 B F24 N Ni P3 Si -","- C70 H69 B F24 N Ni P3 Si -","- C280 H276 B4 F96 N4 Ni4 P12 Si4 -","4","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0708","0.0479","","","0.1096","0.1239","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514994","26.3375","0.0011","19.5435","0.0008","27.2078","0.001","90","","90","","90","","14004.6","1","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","{[SiP(iPr)3]Ni-CO}{BArF}","","","- C69 H66 B Cl F24 Ni O P3 Si -","- C68.873 H66 B Cl0.127 F24 Ni O0.873 P3 Si -","- C550.984 H528 B8 Cl1.016 F192 Ni8 O6.984 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0832","0.054","","","0.1278","0.1443","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514995","10.9905","0.0007","11.1304","0.0007","16.8144","0.0011","78.237","0.003","79.052","0.003","61.648","0.002","1761.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[SiP(iPr)3]Ni-H","","","- C36 H55 Cl Ni P3 Si -","- C36 H54.974 Cl0.026 Ni P3 Si -","- C72 H109.948 Cl0.052 Ni2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.075","0.0462","","","0.1045","0.1168","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514996","13.2952","0.0006","15.4595","0.0007","20.2687","0.001","74.996","0.003","84.981","0.003","83.775","0.003","3992.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Ni-N2}{BArF}","","","- C86 H54 B F24 N2 Ni P3 Si -","- C86 H54 B F24 N2 Ni P3 Si -","- C172 H108 B2 F48 N4 Ni2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0963","0.0526","","","0.1037","0.1203","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514997","13.2892","0.0005","15.457","0.0006","20.2883","0.0007","74.851","0.001","85.107","0.001","83.842","0.001","3992.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Ni-CO}{BArF}","","","- C87 H54 B F24 Ni O P3 Si -","- C87 H54 B F23.974 Ni O P3 Si -","- C174 H108 B2 F47.948 Ni2 O2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0733","0.047","","","0.114","0.1289","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514998","28.982","0.006","11.074","0.002","9.7067","0.0019","90","","101.66","0.003","90","","3051","1","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 N2 -","- C37 H32 Cl2 N2 -","- C148 H128 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2865","0.0821","","","0.1341","0.1812","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514999","32.92","0.013","11.005","0.004","9.624","0.004","90","","106.563","0.006","90","","3342","2","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H35 Cl2 N2 -","- C41 H35 Cl2 N2 -","- C164 H140 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2737","0.0837","","","0.19","0.2638","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515000","10.7874","0.0015","6.1038","0.0008","11.5494","0.0016","90","","104.177","0.002","90","","737.3","0.17","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.0441","0.0409","","","0.1187","0.1224","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515001","6.2483","0.001","7.152","0.0011","16.741","0.003","101.417","0.002","91.557","0.003","92.041","0.002","732.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","1","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.1291","0.0503","","","0.0926","0.1143","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515002","12.5981","0.0009","6.0734","0.0004","13.4724","0.0009","90","","117.737","0.001","90","","912.37","0.11","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.0685","0.0424","","","0.1074","0.1236","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515003","22.398","0.003","11.1946","0.0017","9.7652","0.0014","90","","95.645","0.002","90","","2436.6","0.6","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Cl2 N2 -","- C29 H23 Cl2 N2 -","- C116 H92 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.1627","0.0584","","","0.1095","0.1423","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515004","25.388","0.011","11.126","0.005","9.788","0.004","90","","94.187","0.007","90","","2757","2","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Cl2 N2 -","- C33 H28 Cl2 N2 -","- C132 H112 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2301","0.0843","","","0.1597","0.2065","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515005","9.5229","0.0013","39.529","0.005","11.6647","0.0016","90","","98.282","0.003","90","","4345.2","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl3 N7 O7 -","- C43 H41 N7 O7 -","- C172 H164 N28 O28 -","4","1","","Engle, Jeffrey M.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and optoelectronic properties of 2,6-bis(2-anilinoethynyl)pyridine scaffolds","Chemical Science","2012","3","4","1105","","10.1039/c2sc00975g","","","0.71073","MoKα","","0.1361","0.0808","","","0.1968","0.2255","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515006","18.9443","0.0009","21.565","0.0011","17.9908","0.0009","90","","99.909","0.003","90","","7240.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 Nb2 O6 P4 -","- C72 H102 Nb2 O6 P4.004 -","- C288 H408 Nb8 O24 P16.016 -","4","1","","Velian, Alexandra; Cummins, Christopher C.","Synthesis of a diniobium tetraphosphorus complex by a 2(3−1) process","Chemical Science","2012","3","4","1003","","10.1039/c2sc00931e","","","1.54178","CuKα","","0.0444","0.0368","","","0.091","0.0968","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515007","11.79263","0.0001","21.62584","0.00018","22.16086","0.00019","90","","102.592","0.0009","90","","5515.64","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 Co3 I4 N4 O5 -","- C46 H78 Co3 I4 N4 O5 -","- C184 H312 Co12 I16 N16 O20 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0403","0.0246","","","0.053","0.0548","","","","","","0.998","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515008","11.69346","0.00015","20.8757","0.0003","22.0206","0.0002","90","","102.034","0.0012","90","","5257.3","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 Br4 Co3 N4 O5 -","- C46 H78 Br4 Co3 N4 O5 -","- C184 H312 Br16 Co12 N16 O20 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0735","0.0323","","","0.0664","0.0702","","","","","","0.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515009","23.2374","0.0005","30.6555","0.0006","14.1318","0.0004","90","","90","","90","","10066.8","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C302 H492 Cl80 Co16 K4 N32 O16 -","4","0.5","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0757","0.0572","","","0.1392","0.1437","","","","","","1.151","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515010","11.78965","0.00015","31.1301","0.0004","27.4398","0.0003","90","","96.1289","0.0013","90","","10013.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H124 Cl21 Co4 K N8 O4 -","- C76 H124 Cl21 Co4 K N8 O4 -","- C304 H496 Cl84 Co16 K4 N32 O16 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.1075","0.0803","","","0.1979","0.2113","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515011","14.4425","0.0002","21.581","0.0003","16.8129","0.0002","90","","105.087","0.0014","90","","5059.69","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H74 Cl7 Co2 N5 O2 -","- C42 H74 Cl7 Co2 N5 O2 -","- C168 H296 Cl28 Co8 N20 O8 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0572","0.0322","","","0.0803","0.0844","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515012","12.4636","0.0004","15.6121","0.0006","15.8197","0.0005","69.978","0.003","71.369","0.003","85.244","0.003","2739.42","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H86 Cl3 Co2 N6 O3 -","- C49.996 H85.992 Cl3 Co2 N6 O2.999 -","- C99.992 H171.984 Cl6 Co4 N12 O5.998 -","2","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0614","0.0353","","","0.0877","0.0918","","","","","","0.927","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515013","15.09","0.0002","20.2875","0.0003","15.702","0.0002","90","","104.082","0.0015","90","","4662.54","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Cl3 Co2 N7 O2 -","- C42 H70 Cl3 Co2 N7 O2 -","- C168 H280 Cl12 Co8 N28 O8 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.0469","0.0388","","","0.1043","0.1072","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515014","11.3806","0.0004","13.8405","0.0004","15.7508","0.0006","96.278","0.003","96.347","0.003","91.87","0.003","2448.45","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H76 Cl2 Co2 N6 O4 -","- C46 H76 Cl2 Co2 N6 O4 -","- C92 H152 Cl4 Co4 N12 O8 -","2","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.0883","0.0593","","","0.1514","0.1654","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515015","35.3728","0.0013","20.4934","0.0004","19.9836","0.0006","90","","124.046","0.005","90","","12003.2","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H73 Cl11 Co2 N6 O2 -","- C45.5 H73 Cl11 Co2 N6 O2 -","- C364 H584 Cl88 Co16 N48 O16 -","8","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0767","0.0434","","","0.1258","0.1319","","","","","","1.013","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515016","18.1726","0.0003","18.1726","0.0003","7.0372","0.0002","90","","90","","90","","2323.99","0.09","123","2","123","2","","","","","","","synthesis as described","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C24 H28 Cl8 I4 N8 O8 -","- C24 H28 Cl8 I4 N8 O8 -","- C48 H56 Cl16 I8 N16 O16 -","2","0.125","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0491","0.0428","","","0.0981","0.1007","","","","","","1.23","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515017","26.3584","0.0007","7.034","0.0002","21.0654","0.0004","90","","109.216","0.001","90","","3688.03","0.16","123","2","123","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 Cl3 I4 N8 O8 -","- C23 H29 Cl3 I4 N8 O8 -","- C92 H116 Cl12 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0389","0.032","","","0.068","0.0705","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515018","17.2587","0.0003","17.2587","0.0003","15.5855","0.0004","90","","90","","90","","4642.34","0.16","123","2","123","2","","","","","","","synthesis as described","6","P 43 21 2","P 4nw 2abw","96","","","","- C26 H36 Cl8 I4 N8 O8 -","- C26 H36 Cl8 I4 N8 O8 -","- C104 H144 Cl32 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0436","0.0339","","","0.0612","0.0641","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515019","16.8566","0.0002","16.8566","0.0002","14.5819","0.0003","90","","90","","90","","4143.37","0.11","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C26 H40 I4 N12 O16 -","- C26 H40 I4 N12 O16 -","- C104 H160 I16 N48 O64 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0308","0.026","","","0.0477","0.0488","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515020","26.0769","0.0005","7.0625","0.0001","20.9842","0.0004","90","","108.622","0.001","90","","3662.29","0.11","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 I4 N8 O8 -","- C29 H36 I4 N8 O8 -","- C116 H144 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0316","0.0259","","","0.053","0.055","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515022","16.7294","0.0013","16.6323","0.0007","29.5917","0.0011","90","","90.954","0.005","90","","8232.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H77 N12 O7 U3 -","- C90 H77 N12 O7 U3 -","- C360 H308 N48 O28 U12 -","4","1","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation–cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.1377","0.0768","","","0.1393","0.1614","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515023","7.2599","0.0004","12.1368","0.0009","16.1046","0.0008","99.775","0.005","90.893","0.004","95.133","0.005","1392.11","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Cl3 N4 O2 U -","- C29 H23 Cl3 N4 O2 U -","- C58 H46 Cl6 N8 O4 U2 -","2","1","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.0957","0.0759","","","0.1862","0.2005","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515024","27.1234","0.0013","27.366","0.0013","28.2322","0.0016","90","","90.531","0.004","90","","20954.7","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57.5 H44.25 N8.75 O5 U2 -","- C57.5 H44.25 N8.75 O5 U2 -","- C920 H708 N140 O80 U32 -","16","2","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.1201","0.0757","","","0.1494","0.1722","","","","","","1.082","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515025","11.172","0.003","34.082","0.009","12.621","0.003","90","","99.244","0.003","90","","4743","2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2-Cl2","","","- C52 H66 Cl2 Hg N O Sb -","- C52 H66 Cl2 Hg N O Sb -","- C208 H264 Cl8 Hg4 N4 O4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0478","0.0344","","","0.0729","0.079","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515026","18.171","0.005","28.753","0.008","13.422","0.007","90","","130.397","0.002","90","","5341","3","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","2-DMAP3","","","- C57 H60 F6 Hg N6 O P Sb -","- C57 H60 F6 Hg N6 O P Sb -","- C228 H240 F24 Hg4 N24 O4 P4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0286","0.0267","","","0.0611","0.0621","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515027","12.689","0.008","13.651","0.009","16.06","0.01","97.184","0.007","95.058","0.007","102.804","0.007","2672","3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","2-F","","","- C68 H52 F2 Hg2 O Sb2 -","- C68 H52 F2 Hg2 O Sb2 -","- C136 H104 F4 Hg4 O2 Sb4 -","2","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0476","0.0352","","","0.0832","0.0907","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515028","13.2206","0.0015","21.054","0.002","13.5998","0.0015","90","","118.154","0.001","90","","3337.6","0.6","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2-THF","","","- C38 H34 F6 Hg O1.5 P Sb -","- C38 H34 F6 Hg O1.5 P Sb -","- C152 H136 F24 Hg4 O6 P4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0231","0.0212","","","0.0503","0.0512","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515029","11.0114","0.0018","14.456","0.003","15.04","0.003","86.364","0.003","88.837","0.003","84.021","0.003","2376","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H29 I N4 O Pd S2 -","- C18 H29 I N4 O Pd S2 -","- C72 H116 I4 N16 O4 Pd4 S8 -","4","2","","Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen","“Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes","Chemical Science","2012","3","4","1211","","10.1039/c2sc00888b","","","0.71073","MoKα","","0.0853","0.0487","","","0.1042","0.1193","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515030","9.4934","0.0009","12.8359","0.0012","12.9362","0.0012","85.96","0.002","70.27","0.002","84.36","0.002","1475.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 N5 Pd S3 -","- C28 H33 N5 Pd S3 -","- C56 H66 N10 Pd2 S6 -","2","1","","Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen","“Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes","Chemical Science","2012","3","4","1211","","10.1039/c2sc00888b","","","0.71073","MoKα","","0.0647","0.0524","","","0.1356","0.1422","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515031","22.414","0.009","23.022","0.009","23.782","0.009","95.8178","0.0002","116.725","0.003","114.544","0.004","9322","6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H178 Cu5 Ga30 N23 S54 -","- C52 Cu4.96 Ga30.04 N12 S54 -","- C104 Cu9.92 Ga60.08 N24 S108 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.093","0.0753","","","0.1712","0.1816","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515032","22.168","0.005","22.846","0.005","24.663","0.007","115.174","0.008","111.389","0.014","96.407","0.011","9985","5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C97.5 H192 Cl Cu5 Ga30 N24 S53.5 -","- C66 Cl Cu4.96 Ga30.04 N15 S53.5 -","- C132 Cl2 Cu9.92 Ga60.08 N30 S107 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.1058","0.0822","","","0.1456","0.1548","","","","","","1.012","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515033","23.617","0.002","40.808","0.004","46.252","0.005","90","","94.748","0.002","90","","44423","7","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H210 Cl2 Cu5 In30 N25 S54 -","- C81 Cl2 Cu4.999 In30.001 N18 S54 -","- C648 Cl16 Cu39.992 In240.008 N144 S432 -","8","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.0732","0.0652","","","0.1593","0.1653","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515034","23.018","0.003","23.018","0.003","42.321","0.007","90","","90","","120","","19419","5","123","2","123","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C90 H186 Cu5 Ga30 N23 S56 -","- C47.12 Cu4.96 Ga30.04 N10.47 S56 -","- C188.48 Cu19.84 Ga120.16 N41.88 S224 -","4","0.333333","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.0891","0.0797","","","0.1516","0.1568","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515035","13.831","0.006","16.175","0.007","18.572","0.009","90","","111.6","0.06","90","","3863","3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Fe N2 O9 -","- C42 H46 Fe N2 O9 -","- C168 H184 Fe4 N8 O36 -","4","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","MoKα","","0.1588","0.0841","","0.2217","0.1624","0.2217","","","","","","1.0844","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515036","11.106","0.003","17.783","0.004","19.841","0.005","95.61","0.04","100.94","0.03","106.08","0.03","3649.6","1.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H84 Cl Fe N5 O17 -","- C74 H84 Cl Fe N5 O17 -","- C148 H168 Cl2 Fe2 N10 O34 -","2","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","Synchrotron","","0.2361","0.1631","","0.3955","0.2994","0.3955","","","","","","0.8743","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515037","15.7014","0.0011","18.6485","0.0008","28.3126","0.0016","98.202","0.004","99.703","0.005","102.308","0.005","7845.3","0.8","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C152 H172 Cl14 Fe2 N10 O34 -","- C152 H172 Cl14 Fe2 N10 O34 -","- C304 H344 Cl28 Fe4 N20 O68 -","2","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","1.54184","CuKα","","0.1313","0.0813","","0.1713","0.1301","0.1707","","","","","","0.9936","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515038","14.26","0.001","39.5","0.001","14.26","0.001","90","","95.55","0.01","90","","7994.6","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 Cl Fe N5 O17 S2 -","- C76 H92 Cl Fe N5 O17 S2 -","- C304 H368 Cl4 Fe4 N20 O68 S8 -","4","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","Synchrotron","","0.1922","0.173","","0.3951","0.3682","0.3951","","","","","","1.0676","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515039","19.5557","0.0018","20.1957","0.0019","30.683","0.003","99.204","0.001","101.673","0.002","95.081","0.002","11622.6","1.9","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C93 H117 F6 N7 O8 Pt2 S2 -","- C93 H117 F6 N7 O8 Pt2 S2 -","- C372 H468 F24 N28 O32 Pt8 S8 -","4","2","","Tanaka, Yuya; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Phosphorescent molecular tweezers based on alkynylplatinum(ii) terpyridine system: turning on of NIR emission via heterologous Pt⋯M interactions (M = PtII, PdII, AuIII and AuI)","Chemical Science","2012","3","4","1185","","10.1039/c2sc00935h","","","0.71073","MoKα","","0.1284","0.0626","","","0.158","0.1833","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515040","11.2309","0.0006","23.8183","0.0012","20.3932","0.0011","90","","102.308","0.005","90","","5329.8","0.5","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0811","0.0688","","0.0944","0.0808","0.0756","","","","","","1.0638","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515041","11.3478","0.0013","24.0164","0.0016","20.6607","0.0017","90","","102.06","0.009","90","","5506.5","0.9","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Gd6 N11 O54 -","- C69 H93 Cu2 Gd6 N11 O54 -","- C138 H186 Cu4 Gd12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0878","0.0697","","0.0866","0.073","0.0695","","","","","","1.0001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515042","11.259","0.005","24.017","0.005","20.506","0.005","90","","101.793","0.005","90","","5428","3","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0765","0.0589","","0.0723","0.0602","0.0576","","","","","","1.0794","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515043","11.36","","24","","20.66","","90","","101.988","0.0001","90","","5509.9","0.002","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 N11 O54 Y6 -","- C69 H93 Cu2 N11 O54 Y6 -","- C138 H186 Cu4 N22 O108 Y12 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.2348","0.1076","","0.1178","0.1011","0.1004","","","","","","1.1358","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515044","9.5107","0.0004","10.1897","0.0005","27.7823","0.0013","90","","90","","90","","2692.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl N3 O5 -","- C29 H26 Cl N3 O5 -","- C116 H104 Cl4 N12 O20 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.051","0.0466","","","0.1076","0.1099","","","","","","1.097","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515045","21.316","0.002","6.3205","0.0006","17.4926","0.0017","90","","112.859","0.002","90","","2171.6","0.4","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 Br N2 O4 -","- C21 H21 Br N2 O4 -","- C84 H84 Br4 N8 O16 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.0884","0.0479","","","0.1018","0.1286","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515046","26.3208","0.0013","15.7874","0.0015","18.718","0.003","90","","115.474","0.009","90","","7021.8","1.5","122","1","122","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Cr Dy2 F38 N5 O16 -","- C50 H28 Cr Dy2 F38 N5 O16 -","- C200 H112 Cr4 Dy8 F152 N20 O64 -","4","0.5","","Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald","Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster","Chemical Science","2012","3","4","1024","","10.1039/c2sc00794k","","","0.71073","MoKα","","0.0619","0.0414","","","0.0954","0.1073","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515047","12.515","0.005","19.836","0.007","21.392","0.006","85.52","0.03","81.35","0.04","86.229","0.019","5226","3","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H24 Cr Dy F26 N4 O8 -","- C40 H24 Cr Dy F26 N4 O8 -","- C160 H96 Cr4 Dy4 F104 N16 O32 -","4","2","","Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald","Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster","Chemical Science","2012","3","4","1024","","10.1039/c2sc00794k","","","0.71073","MoKα","","0.0727","0.0426","","","0.087","0.0946","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515048","48.8463","0.0007","48.8463","0.0007","48.8463","0.0007","90","","90","","90","","116545","3","123","2","123","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C348 H354 Cl6 Co24 N6 O72 S24 -","- C336 H312 Cl6 Co24 O72 S24 -","- C2688 H2496 Cl48 Co192 O576 S192 -","8","0.166667","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Yuan, Daqiang; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Hong, Maochun","Truncated octahedral coordination cage incorporating six tetranuclear-metal building blocks and twelve linear edges","Chemical Science","2012","3","7","2321","","10.1039/c2sc20264f","","","0.71073","MoKα","","0.1172","0.092","","","0.2329","0.2494","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515049","12.5958","0.0016","15.8","0.002","20.902","0.003","76.137","0.002","76.659","0.002","83.229","0.002","3921","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)YH2)2(THF)3","","","- C74 H106 N4 O3 Y2 -","- C74 H106 N4 O3 Y2 -","- C148 H212 N8 O6 Y4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0935","0.058","","","0.1398","0.1518","","","","","","0.953","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515050","13.2117","0.0018","14.827","0.002","23.057","0.003","81.78","0.002","73.628","0.002","66.103","0.002","3959.9","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)LuH2)2(THF)3","","","- C81 H114 Lu2 N4 O3 -","- C81 H114 Lu2 N4 O3 -","- C162 H228 Lu4 N8 O6 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.062","0.0498","","","0.1252","0.1317","","","","","","1.064","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515051","13.0663","0.0019","38.724","0.006","15.781","0.002","90","","93.796","0.003","90","","7967","2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","((PhNCN)2Y2H3(OC4H9))(THF)3","","","- C81 H123 N4 O4.5 Si Y2 -","- C81 H123 N4 O4.5 Si Y2 -","- C324 H492 N16 O18 Si4 Y8 -","4","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.1443","0.0629","","","0.1162","0.143","","","","","","0.966","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515052","11.898","0.003","23.121","0.006","35.564","0.009","90","","90.028","0.004","90","","9783","4","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((PhNCN)YH)2(CH2NAr*)(THF)3","","","- C83 H115 N5 O3 Y2 -","- C83 H115 N5 O3 Y2 -","- C332 H460 N20 O12 Y8 -","4","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0881","0.0541","","","0.1301","0.1407","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515053","13.437","0.002","14.939","0.003","22.326","0.004","107.399","0.003","102.549","0.003","100.158","0.003","4031.9","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)2Lu2H3(THF)3)(PhCCHPh)","","","- C88 H116 Lu2 N4 O3 -","- C88 H116 Lu2 N4 O3 -","- C176 H232 Lu4 N8 O6 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.071","0.0452","","","0.0937","0.1015","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515054","12.53","0.005","16.733","0.005","22.194","0.005","107.824","0.005","103.291","0.005","91.97","0.005","4284","2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","(PhNCNLuH(THF))2(PhCHCHPh)","","","- C84 H108 Lu2 N4 O2 -","- C84 H108 Lu2 N4 O2 -","- C168 H216 Lu4 N8 O4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0756","0.0475","","","0.1006","0.1081","","","","","","0.928","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515055","15.161","0.002","17.449","0.003","18.27","0.003","76.958","0.003","76.864","0.003","70.969","0.003","4388.8","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)LuH)2(THF)(PhCHCHPh)","","","- C80 H100 Lu2 N4 O -","- C80 H100 Lu2 N4 O -","- C160 H200 Lu4 N8 O2 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0667","0.0445","","","0.0844","0.0895","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515056","13.731","0.003","15.277","0.003","22.821","0.005","97.855","0.003","98.334","0.003","99.894","0.003","4601.6","1.7","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((PhNCN)YH(THF))2(PhCHCCCHPh)","","","- C86 H108 N4 O2 Y2 -","- C86 H108 N4 O2 Y2 -","- C172 H216 N8 O4 Y4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0727","0.0475","","","0.1089","0.1171","","","","","","0.944","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515057","19.3772","0.0008","34.3744","0.001","20.7308","0.0007","90","","115.432","0.002","90","","12470.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H0 Co5 O25 -","- C159 Co5 O25 -","- C318 Co10 O50 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.0912","0.0602","","","0.1493","0.1655","","","","","","0.813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515058","20.6536","0.0003","33.4974","0.0005","20.7926","0.0003","90","","118.619","0.001","90","","12627.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H O24 Zn4 -","- C159 O24 Zn4 -","- C318 O48 Zn8 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.1038","0.0868","","","0.2131","0.2226","","","","","","1.32","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515059","10.5431","0.0011","9.835","0.0012","12.1245","0.001","90","","92.891","0.003","90","","1255.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O4 S -","- C10 H18 N2 O4 S -","- C40 H72 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.1069","0.0724","","","0.181","0.2067","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515060","10.1825","0.0006","21.4793","0.0014","20.4614","0.0012","90","","103.9","0.002","90","","4344.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N2 O6 S -","- C19 H32 N2 O6 S -","- C152 H256 N16 O48 S8 -","8","2","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0793","0.0613","","","0.1464","0.1554","","","","","","1.113","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515061","5.8032","0.0008","20.518","0.003","12.8411","0.0017","90","","97.101","0.004","90","","1517.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O4 S -","- C15 H20 N2 O4 S -","- C60 H80 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0435","0.0349","","","0.0869","0.0908","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515062","6.5173","0.0006","21.874","0.002","15.6036","0.0013","90","","90.991","0.003","90","","2224.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0691","0.0414","","","0.0965","0.1074","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515063","13.355","0.003","10.423","0.002","11.32","0.002","90","","107.797","0.007","90","","1500.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O4 S -","- C13 H22 N2 O4 S -","- C52 H88 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0811","0.0498","","","0.1171","0.1298","","","","","","1.058","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515064","15.6077","0.0013","24.196","0.002","38.766","0.003","90","","90","","90","","14640","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C101.5 H146.5 O96 Pb14 -","- C102 H135 O96 Pb14 -","- C408 H540 O384 Pb56 -","4","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0344","0.0285","","","0.0609","0.063","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515065","20.126","0.003","18.866","0.003","22.188","0.004","90","","94.783","0.002","90","","8395","2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C96 H128 O89 Pb16 -","- C96 H128 O89 Pb16 -","- C192 H256 O178 Pb32 -","2","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0707","0.0588","","","0.1516","0.1613","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515066","9.58","0.0019","16.55","0.003","7.69","0.0015","90","","112.13","0.03","90","","1129.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Butyl-linked bis-thymine propanoate","Butyl-linked bis-thymine propanoate","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C44 H60 N8 O16 -","2","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.71253","synchrotron","","0.0468","0.0446","","","0.1147","0.1164","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515067","22.4706","0.0005","9.36","0.0019","16.0501","0.0003","90","","131.959","0.003","90","","2510.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hexyl-linked bis-thymine propanoate","Hexyl-linked bis-thymine propanoate","","- C24 H36 N4 O9 -","- C24 H36 N4 O9 -","- C96 H144 N16 O36 -","4","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.710699","Synchrotron","","0.0498","0.0459","","","0.1191","0.1217","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515068","22.26","0.003","22.26","0.003","4.77","0.001","90","","90","","90","","2363.6","0.7","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","Butyl-linked bis-thymine propamide","Butyl-linked bis-thymine propamide","","- C20 H30 N6 O7 -","- C20 H30 N6 O7 -","- C80 H120 N24 O28 -","4","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.710702","synchrotron","","0.0844","0.0574","","","0.1452","0.1613","","","","","","1.072","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515069","9.824","0.004","20.306","0.008","36.358","0.013","90","","90","","90","","7253","5","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C84 H94 O12 -","- C84 H94 O12 -","- C336 H376 O48 -","4","1","","Ishii, Yuuki; Nakanishi, Yusuke; Omachi, Haruka; Matsuura, Sanae; Matsui, Katsuma; Shinohara, Hisanori; Segawa, Yasutomo; Itami, Kenichiro","Size-selective synthesis of [9]–[11] and [13]cycloparaphenylenes","Chemical Science","2012","3","7","2340","","10.1039/c2sc20343j","","","0.71075","MoKα","","0.1016","0.0877","","","0.2429","0.2575","","","","","","1.102","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515070","12.565","0.002","29.618","0.005","9.858","0.002","90","","105.695","0.003","90","","3531.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H31 Co N3 O9.5 -","- C32.75 H24 Co N3 O7.75 -","- C131 H96 Co4 N12 O31 -","4","1","","Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin","Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework","Chemical Science","2012","3","10","2993","","10.1039/c2sc20443f","","","0.71073","MoKα","","0.167","0.114","","","0.298","0.354","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515071","10.09","0.002","16.362","0.003","24.453","0.005","106.75","0.03","92.97","0.03","103.16","0.03","3734.2","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 Co2 N10 O18 -","- C60 H32 Co2 N6 O12 -","- C120 H64 Co4 N12 O24 -","2","1","","Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin","Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework","Chemical Science","2012","3","10","2993","","10.1039/c2sc20443f","","","0.71073","MoKα","","0.118","0.0752","","","0.202","0.222","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515072","13.83","0.003","8.0116","0.0014","21.166","0.004","90","","104.203","0.008","90","","2273.5","0.8","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","1","","Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An","Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions","Chemical Science","2012","3","10","3053","","10.1039/c2sc20805a","","","0.71073","MoKα","","0.0768","0.0616","","","0.169","0.1851","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515073","15.778","0.003","16.681","0.003","8.324","0.0017","90","","95.55","0.03","90","","2180.5","0.7","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H25 N3 O7 -","- C22 H25 N3 O7 -","- C88 H100 N12 O28 -","4","1","","Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An","Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions","Chemical Science","2012","3","10","3053","","10.1039/c2sc20805a","","","0.71073","MoKα","","0.0638","0.0469","","","0.1033","0.1147","","","","","","0.849","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515074","12.9325","0.0002","8.0103","0.0001","19.3676","0.0003","90","","105.363","0.001","90","","1934.66","0.05","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 -","- C48 H32 -","- C96 H64 -","2","0.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.0432","0.0414","","","0.1115","0.1126","","","","","","1.088","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515075","15.9075","0.0004","8.1405","0.0002","20.7418","0.0006","90","","108.655","0.002","90","","2544.84","0.12","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 -","- C60 H40 -","- C120 H80 -","2","0.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.0583","0.0505","","","0.1416","0.1464","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515076","12.8737","0.0003","19.0556","0.0004","27.2224","0.0006","69.54","0.002","79.038","0.002","79.051","0.002","6087.1","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C120 H40 -","- C120 H40 -","- C360 H120 -","3","1.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.1079","0.0766","","","0.2104","0.2236","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515077","28.532","0.003","33.426","0.003","16.0881","0.0014","90","","90","","90","","15343","3","296","2","296","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","","","- C81 H28 Cu2 O18 -","- C81 H28 Cu2 O18 -","- C324 H112 Cu8 O72 -","4","0.5","","Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin","A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities","Chemical Science","2012","3","10","3032","","10.1039/c2sc20601c","","","1.54178","CuKα","","0.1115","0.0685","","","0.1823","0.1957","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515078","36.3615","0.0003","36.3615","0.0003","34.7679","0.0006","90","","90","","90","","45968.7","1","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34.71 H20 O8 Zn1.71 -","- C34.7143 H20 O8 Zn1.71429 -","- C972 H560 O224 Zn48 -","28","1.75","","Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin","A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities","Chemical Science","2012","3","10","3032","","10.1039/c2sc20601c","","","1.54178","CuKα","","0.0478","0.0388","","","0.0933","0.0966","","","","","","0.954","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515079","9.232","0.0004","9.9138","0.0004","13.3547","0.0005","105.125","0.002","102.783","0.002","100.418","0.002","1113.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H74 I2 Mn2 O2 -","- C42 H74 I2 Mn2 O2 -","- C42 H74 I2 Mn2 O2 -","1","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","1.54178","CuKα","","0.0329","0.0305","","","0.0718","0.073","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515080","27.5131","0.0008","12.7588","0.0004","25.2896","0.0007","90","","114.339","0.002","90","","8088.5","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H146 Mn5 -","- C78 H146 Mn5 -","- C312 H584 Mn20 -","4","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","1.54178","CuKα","","0.0404","0.0363","","","0.0865","0.0884","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515081","27.484","0.0004","12.7411","0.0002","25.273","0.0004","90","","114.331","0.002","90","","8064","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H146 Mn5 -","- C78 H146 Mn5 -","- C312 H584 Mn20 -","4","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","0.71073","MoKα","","0.0479","0.0269","","","0.0569","0.0592","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515082","10.149","0.0001","11.5785","0.0001","19.7361","0.0001","90","","93.295","0.001","90","","2315.36","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C26.5 H22 Cl3 N O3 -","- C26.5 H22 Cl3 N O3 -","- C106 H88 Cl12 N4 O12 -","4","2","","Gómez-Bengoa, Enrique; Jiménez, Jacqueline; Lapuerta, Irati; Mielgo, Antonia; Oiarbide, Mikel; Otazo, Itziar; Velilla, Irene; Vera, Silvia; Palomo, Claudio","Combined α,α-dialkylprolinol ether/Brønsted acid promotes Mannich reactions of aldehydes with unactivated imines. An entry to anti-configured propargylic amino alcohols","Chemical Science","2012","3","10","2949","","10.1039/c2sc20590d","","x-ray","1.54184","CuKα","","0.0314","0.0302","","","0.0805","0.0816","","","","","","0.976","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515083","7.8946","0.0006","5.9692","0.0004","10.8812","0.001","90","","92.454","0.003","90","","512.3","0.07","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0728","0.0302","","0.0735","0.0466","0.0735","","","","","","1.0241","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515084","7.8401","0.0006","5.9549","0.0004","10.8935","0.001","90","","92.556","0.003","90","","508.08","0.07","250","","250","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0673","0.0284","","0.0699","0.0463","0.0699","","","","","","1.0417","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515085","7.7899","0.0006","5.9402","0.0004","10.9075","0.001","90","","92.67","0.003","90","","504.18","0.07","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0615","0.0253","","0.0843","0.0538","0.0843","","","","","","1.0074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515086","7.7378","0.0006","5.9245","0.0004","10.9232","0.0009","90","","92.821","0.003","90","","500.14","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0562","0.0256","","0.0642","0.0418","0.0642","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515087","7.6885","0.0006","5.9097","0.0004","10.9351","0.0009","90","","92.984","0.003","90","","496.18","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0547","0.0251","","0.0636","0.0438","0.0636","","","","","","1.0166","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515088","7.8926","0.0005","5.9767","0.0003","10.8739","0.0006","90","","92.47","0.005","90","","512.46","0.05","293","","293","","","","101.325","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0379","0.0248","","0.0681","0.0602","0.0681","","","","","","1.0721","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515089","7.433","0.002","5.8092","0.0003","10.9101","0.0005","90","","93.736","0.01","90","","470.09","0.13","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.1072","0.0821","","0.2123","0.2029","0.2123","","","","","","1.1132","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515090","7.2027","0.0016","5.6926","0.0003","10.9057","0.0004","90","","94.504","0.008","90","","445.78","0.1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.1055","0.0891","","0.2574","0.2447","0.2574","","","","","","1.0632","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515091","7.0544","0.0017","5.6024","0.0003","10.8873","0.0004","90","","95.062","0.009","90","","428.61","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0996","0.0728","","0.191","0.1758","0.191","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515092","6.992","0.0013","5.559","0.0002","10.875","0.0004","90","","95.344","0.007","90","","420.86","0.08","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0954","0.0772","","0.2066","0.1932","0.2066","","","","","","0.9796","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515093","6.9259","0.0016","5.5072","0.0002","10.8549","0.0004","90","","95.667","0.008","90","","412.01","0.1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.102","0.0751","","0.2048","0.1891","0.2048","","","","","","1.0542","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515094","6.871","0.0013","5.467","0.0002","10.8393","0.0003","90","","95.878","0.007","90","","405.02","0.08","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0753","0.0601","","0.1595","0.1492","0.1595","","","","","","1.0147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515095","6.828","0.002","5.4298","0.0003","10.8209","0.0005","90","","96.076","0.011","90","","398.93","0.12","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.082","0.0615","","0.1545","0.141","0.1545","","","","","","1.0033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515096","17.533","0.0012","20.0767","0.0014","21.7131","0.0015","90","","96.387","0.001","90","","7595.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Ag F9 N8 O9 S3 -","- C69 H54 Ag F9 N8 O9 S3 -","- C276 H216 Ag4 F36 N32 O36 S12 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1069","0.0652","","","0.1645","0.1807","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515097","17.1508","0.0014","16.7972","0.0014","24.955","0.002","90","","106.286","0.001","90","","6900.7","1","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C136 H104 Ag4 F12 N16 O12 S4 -","- C136 H104 Ag4 F12 N16 O12 S4 -","- C272 H208 Ag8 F24 N32 O24 S8 -","2","0.5","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0951","0.0816","","","0.2243","0.2372","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515098","14.122","0.002","17.707","0.003","32.571","0.005","93.111","0.002","97.694","0.002","109.952","0.002","7543","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H104 Ag4 F24 N16 P4 -","- C132 H104 Ag4 F24 N16 P4 -","- C264 H208 Ag8 F48 N32 P8 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0648","0.0447","","","0.1148","0.1231","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515099","28.295","0.003","8.808","0.001","29.743","0.003","90","","97.637","0.001","90","","7346.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 F6 N8 O6 Pt S2 -","- C68 H52 F6 N8 O6 Pt S2 -","- C272 H208 F24 N32 O24 Pt4 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0973","0.0736","","","0.1712","0.1794","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515100","12.306","0.002","18.427","0.004","16.292","0.003","90","","100.907","0.002","90","","3627.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 F6 N8 O8 Ru S4 -","- C72 H64 F6 N8 O8 Ru S4 -","- C144 H128 F12 N16 O16 Ru2 S8 -","2","0.5","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1459","0.1099","","","0.3146","0.3419","","","","","","1.249","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515101","16.995","0.004","13.564","0.003","27.388","0.006","90","","93.097","0.003","90","","6304","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 Co F6 N8 O6 S2 -","- C69 H54 Cl2 Co F6 N8 O6 S2 -","- C276 H216 Cl8 Co4 F24 N32 O24 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1278","0.0915","","","0.239","0.277","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515102","12.1931","0.0013","13.7529","0.0015","18.886","0.002","90","","91.471","0.001","90","","3166","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H58 Cl2 Cr F6 N10 P -","- C70 H58 Cl2 Cr F6 N10 P -","- C140 H116 Cl4 Cr2 F12 N20 P2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0831","0.0436","","","0.1078","0.1404","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515103","33.096","0.002","16.4589","0.0012","26.678","0.003","90","","120.04","0.001","90","","12580.1","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 Ag3 Cl4 F3 N8 O3 S -","- C68 H54 Ag3 Cl4 F3 N8 O3 S -","- C544 H432 Ag24 Cl32 F24 N64 O24 S8 -","8","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0754","0.0474","","","0.1295","0.1504","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515104","28.29","0.003","8.8229","0.0009","29.69","0.003","90","","97.815","0.001","90","","7341.8","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 F6 N8 O6 Pd S2 -","- C68 H52 F6 N8 O6 Pd S2 -","- C272 H208 F24 N32 O24 Pd4 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1163","0.0697","","","0.1614","0.1783","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515105","17.1544","0.0005","28.6906","0.0009","29.7309","0.0009","90","","104.592","0.001","90","","14160.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H52 F6 N8 Ni O6 S2 -","- C68 H52 F6 N8 Ni O6 S2 -","- C544 H416 F48 N64 Ni8 O48 S16 -","8","2","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1122","0.0676","","","0.1734","0.1901","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515106","12.646","0.005","13.785","0.006","18.779","0.008","90","","90.702","0.005","90","","3273","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H52 F6 I2 N8 P Rh -","- C66 H52 F6 I2 N8 P Rh -","- C132 H104 F12 I4 N16 P2 Rh2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1692","0.1127","","","0.2865","0.3143","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515107","18.2751","0.0017","13.6076","0.0013","27.721","0.003","90","","92.926","0.001","90","","6884.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H52 Au F9 N8 O9 S3 -","- C69 H52 Au F9 N8 O9 S3 -","- C276 H208 Au4 F36 N32 O36 S12 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0971","0.071","","","0.204","0.2208","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515108","13.6543","0.0006","24.252","0.001","18.6535","0.0008","90","","94.437","0.002","90","","6158.5","0.5","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Cl4 Co2 F18 N10 O2 P3 -","- C45 H35 Cl4 Co2 F18 N10 O2 P3 -","- C180 H140 Cl16 Co8 F72 N40 O8 P12 -","4","1","","Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S.","Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution","Chemical Science","2012","3","10","3058","","10.1039/c2sc20755a","","","0.71073","MoKα","","0.0793","0.0668","","","0.1823","0.1915","","","","","","1.033","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515109","12.15","0.004","13.31","0.004","17.433","0.005","95.7","0.02","96.001","0.019","107.53","0.03","2648","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H53 Co2 F18 N14 O3 P3 -","- C47 H53 Co2 F18 N14 O3 P3 -","- C94 H106 Co4 F36 N28 O6 P6 -","2","1","","Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S.","Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution","Chemical Science","2012","3","10","3058","","10.1039/c2sc20755a","","","0.71073","MoKα","","0.0438","0.0384","","","0.1095","0.1132","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515110","8.6872","0.0008","24.892","0.002","12.6503","0.0012","90","","92.44","0.002","90","","2733","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DACBr2","","","- C25 H29 Br2 Cl3 N2 O2 -","- C25 H29 Br2 Cl3 N2 O2 -","- C100 H116 Br8 Cl12 N8 O8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0468","0.038","","","0.0816","0.0861","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515111","18.893","0.002","8.2648","0.0009","17.927","0.002","90","","108.099","0.002","90","","2660.7","0.5","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","6satMesBr2","","","- C23 H29 Br2 Cl3 N2 -","- C23 H29 Br2 Cl3 N2 -","- C92 H116 Br8 Cl12 N8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.063","0.0528","","","0.1352","0.1419","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515112","28.784","0.003","28.621","0.003","13.801","0.0013","90","","90","","90","","11370","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SIMesBr2","","","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C360 H440 Br32 Cl72 N32 -","16","2","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0885","0.0577","","","0.134","0.1514","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515113","8.005","0.006","8.772","0.006","16.048","0.011","91.431","0.009","103.924","0.009","98.836","0.007","1078.5","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACUrea","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C48 H56 N4 O6 -","2","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0776","0.0528","","","0.1531","0.1877","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515114","14.9337","0.0012","11.8693","0.0009","13.6108","0.0011","90","","92.054","0.002","90","","2411","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DACDimethyldisulfide","","","- C26 H34 N2 O2 S2 -","- C26 H34 N2 O2 S2 -","- C104 H136 N8 O8 S8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0635","0.0532","","","0.1449","0.1542","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515115","11.0307","0.0015","12.136","0.0016","12.8498","0.0017","69.777","0.003","79.796","0.003","85.828","0.003","1588.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DACDiphenylsulfide","","","- C36 H38 N2 O2 S2 -","- C36 H38 N2 O2 S2 -","- C72 H76 N4 O4 S4 -","2","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.1148","0.0644","","","0.1335","0.1587","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515116","11.5","0.002","17.626","0.004","14.155","0.003","90","","91.498","0.004","90","","2868.2","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACAcenapthenedione","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C144 H136 N8 O16 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.1145","0.0613","","","0.1312","0.1579","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515117","19.076","0.006","9.301","0.003","10.997","0.003","90","","90","","90","","1951.2","1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 B2 N2 -","- C10 H10 B2 N2 -","- C80 H80 B16 N16 -","8","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0743","0.0463","","","0.1012","0.1157","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515118","23.388","0.011","31.934","0.015","5.423","0.003","90","","90","","90","","4050","4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H10 B N -","- C12 H10 B N -","- C192 H160 B16 N16 -","16","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0946","0.0571","","","0.1043","0.1198","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515119","9.537","0.007","11.248","0.009","12.439","0.01","107.701","0.009","97.463","0.006","104.937","0.01","1196.4","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.6889","synchrotron","","0.1108","0.081","","","0.2357","0.2662","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515120","9.51","0.017","11.31","0.02","12.46","0.02","107.583","0.019","97.533","0.014","104.719","0.019","1204","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.71073","MoKα","","0.1709","0.1249","","","0.2658","0.2959","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515121","9.525","0.012","11.38","0.015","12.488","0.016","107.619","0.015","97.507","0.01","104.894","0.016","1214","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.71073","MoKα","","0.1329","0.0855","","","0.23","0.2674","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515122","9.534","0.002","19.6","0.005","10.977","0.003","90","","110.365","0.003","90","","1923","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.2384","0.0512","","","0.1108","0.1584","","","","","","0.797","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515123","16.399","0.003","7.8427","0.0014","16.851","0.003","90","","108.538","0.003","90","","2054.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.1239","0.0426","","","0.0927","0.1168","","","","","","0.844","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515124","14.348","0.005","11.622","0.004","16.672","0.006","90","","103.442","0.005","90","","2703.9","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C112 H128 O40 -","8","2","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.0774","0.0548","","","0.1582","0.1693","","","","","","2.011","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515125","11.21","0.005","16.029","0.007","11.499","0.005","90","","102.731","0.007","90","","2015.4","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C84 H116 N4 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.0712","0.0451","","","0.111","0.1225","","","","","","1.175","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515126","17.443","0.004","21.703","0.005","9.844","0.002","90","","90","","90","","3726.6","1.4","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C152 H168 N24 O32 -","8","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.247","0.1313","","","0.2684","0.307","","","","","","1.39","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515127","9.6914","0.0001","12.1082","0.0001","22.0163","0.0003","80.771","0.0004","79.72","0.0005","73.3185","0.0005","2418.67","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","Ti(NAr)(NHAr)2(py)2","","- C46 H63 N5 Ti -","- C46 H63 N5 Ti -","- C92 H126 N10 Ti2 -","2","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.0899","0.0685","","0.0799","0.0645","0.0614","","","","","","0.9984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515128","10.2991","0.0007","19.4178","0.0012","13.0747","0.0009","90","","101.982","0.004","90","","2557.8","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ti(Me)(NAr)3{Li(py)}3","","- C52 H69 Li3 N6 Ti -","- C52 H69 Li3 N6 Ti -","- C104 H138 Li6 N12 Ti2 -","2","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1163","0.0708","","0.0841","0.0535","0.0493","","","","","","1.1051","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515129","18.4575","0.0002","16.9731","0.0002","17.726","0.0002","90","","90","","90","","5553.22","0.11","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","Ti(NAr)2(NHAr)2{Li(py)}2","","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C230 H330 Li8 N22 O2 Ti4 -","4","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1352","0.065","","0.1332","0.0624","0.0557","","","","","","1.1681","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515130","23.769","0.003","15.938","0.003","13.3495","0.0011","90","","102.022","0.009","90","","4946.3","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N2 O14 Ru2 -","- C40 H46 N2 O14 Ru2 -","- C160 H184 N8 O56 Ru8 -","4","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.031","0.0269","","","0.0729","0.0759","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515131","16.0499","0.0016","24.504","0.004","26.963","0.004","70.041","0.01","77.399","0.012","81.696","0.009","9699","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C259 H247 Cl69 N8 O56 Ru8 -","- C259 H247 Cl69 N8 O56 Ru8 -","- C259 H247 Cl69 N8 O56 Ru8 -","1","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.1571","0.1234","","","0.3466","0.3818","","","","","","1.48","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515132","12.0083","0.0018","15.379","0.004","20.885","0.003","85.969","0.016","78.367","0.01","87.615","0.016","3766.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H120 Cl8 N4 O28 Ru4 -","- C122 H120 Cl8 N4 O28 Ru4 -","- C122 H120 Cl8 N4 O28 Ru4 -","1","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.0977","0.0904","","","0.1965","0.1993","","","","","","1.211","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515133","16.2749","0.0009","7.2655","0.0004","22.8836","0.0013","90","","91.975","0.002","90","","2704.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Au F6 N4 P -","- C28 H24 Au F6 N4 P -","- C112 H96 Au4 F24 N16 P4 -","4","1","","Lu, Wei; Chan, Kaai Tung; Wu, Shui-Xing; Chen, Yong; Che, Chi-Ming","Quest for an intermolecular Au(iii)⋯Au(iii) interaction between cyclometalated gold(iii) cations","Chemical Science","2012","3","3","752","","10.1039/c2sc00947a","","","1.54178","CuKα","","0.0713","0.0607","","","0.1531","0.1623","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515134","7.0177","0.0006","7.4499","0.0006","10.1765","0.0008","90","","90","","90","","532.04","0.08","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F6 Fe2 Rb -","- F6 Fe2 Rb -","- F24 Fe8 Rb4 -","4","0.5","","Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J.","RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride","Chemical Science","2012","3","3","741","","10.1039/c2sc00765g","","","0.71073","MoKα","","0.0246","0.0214","","","0.0485","0.0497","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515135","12.85","0.005","15.422","0.005","16.768","0.005","66.868","0.005","88.549","0.005","80.667","0.005","3012.7","1.8","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.1 H48.4 F12 N6 O8.1 Pd Sb2 -","- C44.1 H48.4 F12 N6 O8.1 Pd Sb2 -","- C88.2 H96.8 F24 N12 O16.2 Pd2 Sb4 -","2","1","","Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.","Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery","Chemical Science","2012","3","3","778","","10.1039/c2sc00899h","","","0.71069","MoKα","","0.067","0.0518","","","0.1387","0.1499","","","","","","1.097","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515136","11.9663","0.0019","12.345","0.0019","17.495","0.003","76.455","0.009","83.846","0.01","85.135","0.01","2493.3","0.7","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 Cl4 N16 Pd2 Pt2 -","- C76 H56 Cl4 N16 Pd2 Pt2 -","- C76 H56 Cl4 N16 Pd2 Pt2 -","1","0.5","","Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.","Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery","Chemical Science","2012","3","3","778","","10.1039/c2sc00899h","","","0.71073","MoKα","","0.0965","0.0748","","","0.2226","0.2379","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515138","9.731","0.003","11.057","0.004","18.275","0.005","89.321","0.018","76.443","0.017","87.163","0.019","1909.2","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H32 Fe -","- C24 H32 Fe -","- C96 H128 Fe4 -","4","2","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0979","0.0442","","","0.0939","0.1127","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515139","8.2905","0.0009","11.7186","0.0013","13.8485","0.0015","90","","106.91","0.004","90","","1287.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Fe -","- C18 H16 Fe -","- C72 H64 Fe4 -","4","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0307","0.0283","","","0.0722","0.0737","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515140","7.3925","0.0003","12.3693","0.0006","19.4209","0.0009","90","","90","","90","","1775.85","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 D4 Fe -","- C12 H12 Fe -","- C96 H96 Fe8 -","8","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0281","0.0222","","","0.0554","0.0591","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515141","30.829","0.0006","14.572","0.0007","24.908","0.0005","90","","123.658","0.005","90","","9313.8","0.7","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C12 H52 Mn2 Mo12 N8 Na2 O74 P8 Zn3 -","- C12 H16 Mn2 Mo12 N8 Na2 O73.98 P8 Zn3 -","- C48 H64 Mn8 Mo48 N32 Na8 O295.92 P32 Zn12 -","4","0.5","","Du, Dong-Ying; Qin, Jun-Sheng; Wang, Ting-Ting; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Wang, En-Bo","Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic‒organic hybrid materials producing gold nanoparticles and catalytic properties","Chemical Science","2012","3","3","705","","10.1039/c2sc00586g","","","0.71069","MoKα","","0.0534","0.0443","","","0.1304","0.1371","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515142","21.5894","0.0008","20.9227","0.0009","23.8146","0.0009","90","","109.321","0.002","90","","10151.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104.75 H113.5 Dy2 N10 O16.25 -","- C104.75 H113.5 Dy2 N10 O16.25 -","- C419 H454 Dy8 N40 O65 -","4","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.0704","0.0466","","","0.1134","0.1296","","","","","","1.033","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515143","14.3544","0.0008","18.9741","0.001","23.049","0.0012","86.019","0.003","81.988","0.003","79.315","0.002","6102.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C129.5 H133.5 Dy2 N10.5 O17.5 -","- C129.5 H133.5 Dy2 N10.5 O17.5 -","- C259 H267 Dy4 N21 O35 -","2","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.1355","0.0805","","","0.1588","0.1881","","","","","","1.074","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515144","11.784","0.0015","22.87","0.003","52.23","0.006","90","","95.811","0.006","90","","14004","3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144.5 H165 Dy2 N10 O19.5 -","- C144.5 H165 Dy2 N10 O19.5 -","- C578 H660 Dy8 N40 O78 -","4","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.0877","0.0763","","","0.1893","0.1963","","","","","","1.038","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515145","9.357","0.007","13.439","0.009","18.66","0.013","90","","90","","90","","2346","3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O S -","- C28 H29 N O S -","- C112 H116 N4 O4 S4 -","4","1","","Yamaguchi, Kazuya; Yamaguchi, Junichiro; Studer, Armido; Itami, Kenichiro","Hindered biaryls by C–H coupling: bisoxazoline-Pd catalysis leading to enantioselective C–H coupling","Chemical Science","2012","3","6","2165","","10.1039/c2sc20277h","","","0.7107","MoKα","","0.136","0.1054","","","0.2507","0.2823","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515146","25.838","0.0016","25.838","0.0016","25.838","0.0016","90","","90","","90","","17249.5","1.9","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C6 H3 N4 Ni0.1 O3.25 Zn -","- C6 H3 N4 Ni0.09 O3.25 Zn0.91 -","- C192 H96 N128 Ni2.88 O104 Zn29.12 -","32","0.166667","","Brozek, Carl K.; Dincă, Mircea","Lattice-imposed geometry in metal‒organic frameworks: lacunary Zn4O clusters in MOF-5 serve as tripodal chelating ligands for Ni2+","Chemical Science","2012","3","6","2110","","10.1039/c2sc20306e","","","0.71073","MoKα","","0.1063","0.0905","","","0.2759","0.3424","","","","","","1.571","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515147","8.712","0.002","12.244","0.003","16.51","0.003","90","","90","","90","","1761.1","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","","Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","Catalytic asymmetric α-amination of carboxylic acids using isothioureas","Chemical Science","2012","3","6","2088","","10.1039/c2sc20171b","","","0.71073","MoKα","","0.0456","0.0379","","","0.065","0.0682","","","","","","0.966","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515148","20.1837","0.0012","9.1091","0.0005","23.0754","0.0013","90","","110.794","0.007","90","","3966.2","0.4","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49.9 H48.6 Cl0.2 N O3.9 S -","- C49.9 H43 Cl0.2 N O3.9 S -","- C199.6 H172 Cl0.8 N4 O15.6 S4 -","4","1","","Chen, Sijie; Liu, Jianzhao; Liu, Yang; Su, Huimin; Hong, Yuning; Jim, Cathy K. W.; Kwok, Ryan T. K.; Zhao, Na; Qin, Wei; Lam, Jacky W. Y.; Wong, Kam Sing; Tang, Ben Zhong","An AIE-active hemicyanine fluorogen with stimuli-responsive red/blue emission: extending the pH sensing range by “switch + knob” effect","Chemical Science","2012","3","6","1804","","10.1039/c2sc01108e","","x-ray","1.5418","CuKα","","0.1464","0.0721","","","0.1321","0.1651","","","","","","1.007","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515149","17.3296","0.0006","3.8995","0.0001","13.8867","0.0005","90","","114.947","0.002","90","","850.86","0.05","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Br2 O2 -","- C8 H4 Br2 O2 -","- C32 H16 Br8 O8 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0234","0.0205","","0.0244","0.0225","0.0225","","","","","","1.1356","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515150","13.2036","0.0004","7.7069","0.0002","14.7968","0.0005","90","","107.154","0.0015","90","","1438.72","0.08","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br2 O4 -","- C16 H8 Br2 O4 -","- C64 H32 Br8 O16 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0367","0.0272","","0.0393","0.031","0.031","","","","","","1.1093","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515151","13.3084","0.0003","6.8541","0.0002","29.076","0.0008","90","","93.477","0.0011","90","","2647.35","0.12","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br2 O8 -","- C32 H16 Br2 O8 -","- C128 H64 Br8 O32 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0973","0.0848","","0.1756","0.1725","0.1756","","","","","","1.0211","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515152","8.6955","0.0002","11.3755","0.0003","13.3637","0.0003","90","","103.355","0.0011","90","","1286.13","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 I2 O3 -","- C12 H6 I2 O3 -","- C48 H24 I8 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0222","0.0205","","0.0485","0.0477","0.0485","","","","","","1.0625","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515153","8.1262","0.0011","15.991","0.002","13.825","0.002","90","","101.243","0.005","90","","1762","0.4","200","","200","","","","","","","","local","4","C 1 c 1","C -2yc","9","","","","- C20 H10 Br2 O5 -","- C20 H10 Br2 O5 -","- C80 H40 Br8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.089","0.0576","","0.1237","0.1094","0.1237","","","","","","1.0073","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515154","7.3671","0.0014","12.397","0.002","13.127","0.003","92.975","0.011","93.428","0.009","95.781","0.012","1188.6","0.4","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C28 H14 Br2 O7 -","- C28 H14 Br2 O7 -","- C56 H28 Br4 O14 -","2","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.2389","0.1017","","0.249","0.1769","0.249","","","","","","0.9873","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515155","6.9255","0.0007","7.3969","0.0007","11.6514","0.0011","72.785","0.005","78.03","0.006","63.603","0.005","508.68","0.09","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C24 H12 Br2 O6 -","- C24 H12 Br2 O6 -","- C24 H12 Br2 O6 -","1","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.097","0.0652","","0.1586","0.1409","0.1586","","","","","","1.0534","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515156","5.9382","0.0003","22.9614","0.0017","6.718","0.0004","90","","91.539","0.005","90","","915.66","0.1","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H14 O6 -","- C24 H14 O6 -","- C48 H28 O12 -","2","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.098","0.0566","","0.1468","0.1277","0.1468","","","","","","0.954","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515157","8.9805","0.0002","7.2435","0.0001","15.1904","0.0003","90","","97.9427","0.0012","90","","978.66","0.03","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 O2 -","- C8 H6 O2 -","- C48 H36 O12 -","6","1.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0467","0.0354","","0.0487","0.0446","0.0446","","","","","","1.0607","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515158","24.2219","0.0009","5.1953","0.0002","7.4212","0.0003","90","","90","","90","","933.88","0.06","150","","150","","","","","","","","local","3","P c a 21","P 2c -2ac","29","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0296","0.0271","","0.0335","0.0314","0.0314","","","","","","1.1227","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515159","15.185","0.0007","8.7609","0.0004","7.1418","0.0003","90","","116.501","0.002","90","","850.27","0.07","200","","200","","","","","","","","local","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 O3 -","- C12 H6 O3 -","- C48 H24 O12 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0483","0.0395","","0.103","0.0987","0.103","","","","","","1.0426","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515160","8.8594","0.0003","8.8592","0.0002","46.7607","0.0014","90","","90","","90","","3670.12","0.19","200","","200","","","","","","","","Local laboratory","3","A b a 2","A 2 -2ab","41","","","","- C16 H8 O4 -","- C16 H8 O4 -","- C192 H96 O48 -","12","","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.081","0.048","","0.089","0.072","0.072","","","1.89","1.91","1.91","1.91","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515161","10.3551","0.0009","13.6824","0.0011","25.595","0.002","90","","90","","90","","3626.4","0.5","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 N10 O9 -","- C40 H34 N10 O9 -","- C160 H136 N40 O36 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0815","0.0621","","","0.1338","0.1426","","","","","","1.056","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515162","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515163","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515164","10.4183","0.001","13.6836","0.0013","25.671","0.002","90","","90","","90","","3659.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H33.25 Cl0.25 F N9 O8.75 -","- C40.89 H33.3 Cl0.26 F N9 O8.76 -","- C163.56 H133.2 Cl1.04 F4 N36 O35.04 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0921","0.0719","","","0.1385","0.1469","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515165","7.8466","0.0007","33.387","0.003","14.0698","0.0014","90","","94.602","0.002","90","","3674","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 N9 O9 -","- C41 H33 N9 O9 -","- C164 H132 N36 O36 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0925","0.0613","","","0.1222","0.1333","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515166","10.611","0.001","12.959","0.0012","16.4525","0.0016","73.499","0.002","77.989","0.003","72.668","0.003","2051.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N10 O9 -","- C46 H36 N10 O9.149 -","- C92 H72 N20 O18.298 -","2","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0764","0.0548","","","0.124","0.1335","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515167","6.9865","0.0004","19.2728","0.0011","14.239","0.0008","90","","103.327","0.002","90","","1865.64","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 N4 O6 Rh2 -","- C32 H60 N4 O6 Rh2 -","- C64 H120 N8 O12 Rh4 -","2","0.5","","Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming","Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system","Chemical Science","2012","3","6","1785","","10.1039/c2sc00620k","","","1.54178","CuKα","","0.0619","0.0606","","","0.1633","0.1652","","","","","","1.071","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515168","16.372","0.0004","8.7441","0.0002","17.2355","0.0005","90","","104.039","0.001","90","","2393.71","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 N6 O6 Rh2 -","- C20 H34 N6 O6 Rh2 -","- C80 H136 N24 O24 Rh8 -","4","1","","Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming","Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system","Chemical Science","2012","3","6","1785","","10.1039/c2sc00620k","","","1.54178","CuKα","","0.0317","0.03","","","0.0886","0.0904","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515169","18.9708","0.0007","25.2751","0.0007","26.5778","0.0007","90","","90","","90","","12743.8","0.7","180","2","180","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C108 H168 N12 -","- C108 H168 N12 -","- C432 H672 N48 -","4","0.5","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.1668","0.1426","","","0.3419","0.3583","","","","","","1.427","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515170","19.2362","0.0001","19.2362","0.0001","19.2362","0.0001","90","","90","","90","","7118","0.06","150","2","150","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C123 H195 Cl9 N12 -","- C123 H195 Cl12.96 N12 -","- C246 H390 Cl25.92 N24 -","2","0.0833333","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.0906","0.0767","","","0.1927","0.2022","","","","","","1.115","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515172","24.661","0.003","27.676","0.003","6.5393","0.0007","90","","90","","90","","4463.2","0.9","296.1","","296.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C49 H50 F O9 P -","- C49 H48 F O9 P -","- C196 H192 F4 O36 P4 -","4","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0592","","","","0.2291","","","","","","1.317","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515173","17.7436","0.0014","5.5873","0.0003","22.281","0.002","90","","105.469","0.003","90","","2128.9","0.3","123.1","","123.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H50 F O9 P -","- C49 H46 F O9 P -","- C98 H92 F2 O18 P2 -","2","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0575","","","","0.0621","","","","","","1.11","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515174","10.131","0.003","16.286","0.006","22.312","0.007","90","","90","","90","","3681","2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Au N3 P -","- C18 H21 Au N3 P -","- C144 H168 Au8 N24 P8 -","8","2","","Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils","A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line","Chemical Science","2012","3","6","2062","","10.1039/c2sc01127a","","","0.71073","MoKα","","0.082","0.0563","","","0.1136","0.1231","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515175","9.249","0.0008","36.15","0.002","14.659","0.0014","90","","109.97","0.003","90","","4606.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 I2 N7 O -","- C44 H57 I2 N7 O -","- C176 H228 I8 N28 O4 -","4","1","","Sokkalingam, Punidha; Kim, Dong Sub; Hwang, Hyonseok; Sessler, Jonathan L.; Lee, Chang-Hee","A dicationic calix[4]pyrrole derivative and its use for the selective recognition and displacement-based sensing of pyrophosphate","Chemical Science","2012","3","6","1819","","10.1039/c2sc20232h","","","0.71074","MoKα","","0.1257","0.0977","","","0.2019","0.2116","","","","","","1.646","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515176","28.351","0.0012","13.1576","0.0006","19.608","0.0007","90","","112.633","0.002","90","","6751.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 B Cl D F25 O -","- C35 B F25 O -","- C280 B8 F200 O8 -","8","1","","Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood","Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex","Chemical Science","2012","3","6","1814","","10.1039/c2sc20336g","","","1.54178","CuKα","","0.056","0.0438","","","0.1236","0.1309","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515177","11.003","0.002","19.158","0.004","20.004","0.004","76.77","0.03","85.03","0.03","73.96","0.03","3943.8","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.25 H10.5 B Cl0.25 F25 N2 -","- C41.25 H10.5 B Cl0.25 F25 N2 -","- C165 H42 B4 Cl F100 N8 -","4","2","","Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood","Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex","Chemical Science","2012","3","6","1814","","10.1039/c2sc20336g","","","0.71073","MoKα","","0.0857","0.0651","","","0.1758","0.1963","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515178","7.7512","0.0003","8.1381","0.0003","8.4256","0.0003","69.558","0.003","79.669","0.003","74.031","0.003","476.75","0.03","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C23 H22 O5 -","1","1","","Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric Diels–Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity","Chemical Science","2012","3","6","1879","","10.1039/c2sc20096a","","","1.54184","CuKα","","0.0279","0.0278","","","0.0736","0.0737","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515179","11.846","0.003","6.8888","0.0016","12.417","0.003","90","","99.999","0.002","90","","997.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.0464","0.0388","","","0.1243","0.1373","","","","","","0.984","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515180","9.013","0.016","9.018","0.015","28.9","0.05","87.731","0.019","87.947","0.019","89.841","0.019","2346","7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","4","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.2098","0.1342","","","0.3925","0.4396","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515181","7.089","0.002","15.631","0.005","13.579","0.004","90","","92.518","0.003","90","","1503.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S2 -","- C16 H18 O2 S2 -","- C64 H72 O8 S8 -","4","1","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.0463","0.0359","","","0.1187","0.1346","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515182","19.372","0.013","5.761","0.004","24.488","0.016","90","","90","","90","","2733","3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.1562","0.0928","","","0.2324","0.2847","","","","","","0.968","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515183","11.177","0.002","11.228","0.002","13.582","0.003","69.214","0.01","82.733","0.011","82.327","0.01","1573.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 B F16 O P -","- C30 H32 B F16 O P -","- C60 H64 B2 F32 O2 P2 -","2","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1447","0.0569","","","0.0982","0.1213","","","","","","0.982","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515184","16.1479","0.0008","9.9549","0.0005","15.5394","0.0007","90","","109.713","0.002","90","","2351.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 B F16 O P -","- C21 H14 B F16 O P -","- C84 H56 B4 F64 O4 P4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0621","0.0428","","","0.1032","0.1133","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515185","9.1801","0.0013","10.333","0.0014","13.984","0.002","82.073","0.008","74.808","0.007","80.634","0.008","1256.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H14 B F16 N O -","- C25 H14 B F16 N O -","- C50 H28 B2 F32 N2 O2 -","2","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1189","0.0694","","","0.1718","0.1995","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515186","11.1705","0.0005","16.0049","0.0007","15.9286","0.0008","90","","95.113","0.002","90","","2836.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 B F16 N O -","- C27 H24 B F16 N O -","- C108 H96 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0724","0.0402","","","0.0827","0.0947","","","","","","0.998","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515187","11.938","0.0009","15.0103","0.0012","16.2877","0.0013","108.689","0.004","100.946","0.004","90.15","0.004","2708.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H17 B Cl F16 N O -","- C25.5 H17 B Cl F16 N O -","- C102 H68 B4 Cl4 F64 N4 O4 -","4","2","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1814","0.0839","","","0.2375","0.2899","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515188","9.4047","0.0007","11.0955","0.0008","25.2965","0.0019","90","","95.391","0.004","90","","2628","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 B F16 N O -","- C26 H18 B F16 N O -","- C104 H72 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0831","0.0458","","","0.0947","0.1089","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515189","10.7955","0.0004","17.5647","0.0006","20.0048","0.0007","67.706","0.001","77.881","0.001","89.561","0.001","3420.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 B F16 N2 O -","- C29 H22 B F16 N2 O -","- C116 H88 B4 F64 N8 O4 -","4","2","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1217","0.0856","","","0.2303","0.2489","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515190","17.2019","0.0006","14.7018","0.0006","16.5689","0.0006","90","","96.135","0.001","90","","4166.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43.99 H27.98 B Cl1.98 F16 O P -","- C43.989 H27.978 B Cl1.978 F16 O P -","- C175.956 H111.912 B4 Cl7.912 F64 O4 P4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0633","0.0429","","","0.1041","0.1155","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515191","11.1411","0.0007","17.8797","0.0011","14.7969","0.001","90","","98.591","0.004","90","","2914.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B F16 N O -","- C28 H28 B F16 N O -","- C112 H112 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0969","0.0461","","","0.0979","0.1177","","","","","","0.998","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515192","23.862","0.0019","23.862","0.0019","14.686","0.0019","90","0.002","90","0.002","120","0.002","7241.8","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 N12 O Zn -","- C8 H10 N12 O Zn -","- C144 H180 N216 O18 Zn18 -","18","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian","N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery","Chemical Science","2012","3","6","2114","","10.1039/c2sc00017b","","","0.71069","MoKα","","0.0509","0.0403","","","0.1377","0.1462","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515193","12.575","0.002","13.205","0.003","14.031","0.003","112.044","0.003","95.622","0.003","104.585","0.003","2041.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 N6 O2 S6 Zn2 -","- C32 H26 N6 O2 S6 Zn2 -","- C64 H52 N12 O4 S12 Zn4 -","2","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1127","0.0548","","","0.0878","0.0957","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515194","10.75","0.004","19.725","0.007","15.634","0.005","90","","91.283","0.006","90","","3314","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 B N6 O3 Zn -","- C31 H47 B N6 O3 Zn -","- C124 H188 B4 N24 O12 Zn4 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1079","0.049","","","0.0867","0.1067","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515195","22.3176","0.0017","10.4067","0.0008","17.2733","0.0014","90","","99.229","0.001","90","","3959.8","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N6 O3 S6 Zn2 -","- C39 H30 N6 O3 S6 Zn2 -","- C156 H120 N24 O12 S24 Zn8 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1231","0.0659","","","0.1536","0.1801","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515196","8.928","0.0007","14.6268","0.0012","18.4948","0.0015","90","","103.861","0.001","90","","2344.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N3 O3 S3 Zn -","- C23 H19 N3 O3 S3 Zn -","- C92 H76 N12 O12 S12 Zn4 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.0778","0.0412","","","0.0799","0.0924","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515197","31.669","0.006","8.7545","0.0018","28.505","0.006","90","","108.802","0.003","90","","7481","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 N6 O3.5 S6 Zn2 -","- C35 H28 N6 O3.5 S6 Zn2 -","- C280 H224 N48 O28 S48 Zn16 -","8","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.0855","0.0451","","","0.1053","0.1219","","","","","","1.021","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515198","12.632","0.003","15.474","0.003","22.903","0.005","93.59","0.003","96.263","0.003","107.39","0.003","4225.2","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.75 H36 N6 O2 S6 Zn2 -","- C40.75 H36 N6 O2 S6 Zn2 -","- C163 H144 N24 O8 S24 Zn8 -","4","2","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1762","0.0631","","","0.1477","0.1867","","","","","","1.039","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515199","8.8656","0.0009","28.048","0.003","14.4431","0.0015","90","","102.816","0.002","90","","3502","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N6 O3 S6 Zn2 -","- C33 H24 N6 O3 S6 Zn2 -","- C132 H96 N24 O12 S24 Zn8 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1413","0.0559","","","0.0879","0.1129","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515200","22.76","0.03","7.558","0.009","31.61","0.05","90","","97.626","0.019","90","","5389","13","120","2","120","2","","","","","","","Cally Haynes","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 K2 N6 O18 -","- C48 H72 K2 N6 O18 -","- C192 H288 K8 N24 O72 -","4","1","","Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Tunable transmembrane chloride transport by bis-indolylureas","Chemical Science","2012","3","5","1436","","10.1039/c2sc20041d","","","0.6889","Synchrotron","","0.3426","0.1183","","","0.2544","0.4094","","","","","","0.981","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515201","19.3998","0.0017","20.67","0.002","16.7096","0.0011","90","","112.026","0.004","90","","6211.4","0.9","120","2","120","2","","","","","","","Cally Haynes","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H104 N8 O10 P2 -","- C56 H104 N8 O10 P2 -","- C224 H416 N32 O40 P8 -","4","0.5","","Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Tunable transmembrane chloride transport by bis-indolylureas","Chemical Science","2012","3","5","1436","","10.1039/c2sc20041d","","","0.71073","MoKα","","0.1719","0.076","","","0.1636","0.2048","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515205","10.7223","0.0005","21.7779","0.0013","16.3387","0.0007","90","","105.321","0.004","90","","3679.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0429","0.034","","","0.0789","0.0836","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515206","10.7119","0.0004","21.742","0.0012","16.4105","0.0006","90","","105.404","0.004","90","","3684.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0407","0.0328","","","0.0771","0.0814","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515207","10.7245","0.0005","21.8948","0.0015","16.3488","0.0008","90","","105.251","0.005","90","","3703.7","0.4","190","2","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0546","0.0417","","","0.1001","0.1092","","","","","","0.949","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515208","10.786","0.008","22.362","0.017","16.405","0.012","90","","104.945","0.009","90","","3823","5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0618","0.0465","","","0.1399","0.1521","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515209","10.7248","0.0005","22.0346","0.0011","16.3099","0.0008","90","","105.166","0.001","90","","3720.1","0.3","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0606","0.0454","","","0.1312","0.1408","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515210","10.7075","0.0007","21.8698","0.0014","16.3273","0.001","90","","105.309","0.001","90","","3687.7","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0572","0.0455","","","0.1341","0.1422","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515211","10.6878","0.0007","21.7334","0.0014","16.3349","0.001","90","","105.419","0.001","90","","3657.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0563","0.0472","","","0.1207","0.1262","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515212","11.125","0.0017","15.392","0.002","15.758","0.002","74.695","0.003","77.903","0.003","70.463","0.003","2430.9","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H55 N5 O12 Pd2 -","- C50 H55 N5 O12 Pd2 -","- C100 H110 N10 O24 Pd4 -","2","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.71073","MoKα","","0.0507","0.0387","","","0.0932","0.0993","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515213","8.435","0.0006","10.2678","0.0005","13.5105","0.0007","77.953","0.004","76.502","0.005","72.666","0.005","1073.86","0.11","109.9","","109.9","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N8 O12 Pd -","- C42 H48 N8 O12 Pd -","- C42 H48 N8 O12 Pd -","1","0.5","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7107","MoKα","","0.0399","0.0367","","","0.0919","0.0942","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515214","47.4181","0.0014","11.0136","0.0003","17.7382","0.0006","90","","107.608","0.003","90","","8829.7","0.5","110.15","","110.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 Cl2 N O6 P Pd -","- C41 H40 Cl2 N O6 P Pd -","- C328 H320 Cl16 N8 O48 P8 Pd8 -","8","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7107","MoKα","","0.0407","0.0373","","","0.1018","0.1038","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515215","10.5351","0.0007","9.7782","0.0006","15.3104","0.001","90","","90.555","0.001","90","","1577.12","0.18","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 N3 O4 Pd -","- C12 H25 N3 O4 Pd -","- C48 H100 N12 O16 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.71073","MoKα","","0.0371","0.028","","","0.0595","0.0626","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515216","10.337","0.002","15.431","0.003","19.611","0.004","82.82","0.03","84.35","0.03","82.95","0.03","3069.2","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.71073","MoKα","","0.1905","0.1146","","0.1725","0.1167","0.1167","","","","","","1.1051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515217","11.998","0.002","14.379","0.003","19.482","0.004","82.891","0.006","87.456","0.005","76.474","0.005","3242.3","1.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H162 N12 O2 Zn2 -","- C150 H162 N12 O2 Zn2 -","- C150 H162 N12 O2 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.085","0.0704","","0.1331","0.1272","0.1331","","","","","","0.9973","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515218","10.038","0.011","18.807","0.018","19.38","0.02","78.31","0.04","84.46","0.04","82.55","0.04","3543","6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C154.044 H162.374 N11.518 O2 Zn2 -","- C154.044 H162.374 N11.518 O2 Zn2 -","- C154.044 H162.374 N11.518 O2 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.1284","0.1106","","0.2667","0.2531","0.2667","","","","","","0.9073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515219","11.254","0.003","16.718","0.004","19.85","0.004","83.634","0.006","79.865","0.004","87.849","0.007","3653.1","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C184 H178 N10 Zn2 -","- C184 H178 N10 Zn2 -","- C184 H178 N10 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.0937","0.0769","","0.168","0.1594","0.168","","","","","","0.9953","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515220","15.4354","0.0008","16.6155","0.0009","21.9618","0.0012","98.915","0.001","98.974","0.001","93.126","0.001","5478.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C236 H235 Br2 Cl3 N16 O8 Zn4 -","- C236 H253 Br2 Cl3 N16 O8 Zn4 -","- C236 H253 Br2 Cl3 N16 O8 Zn4 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6943","synchrotron","","0.1354","0.0915","","0.1316","0.1069","0.1069","","","","","","1.0451","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515221","12.428","0.004","14.323","0.005","21.854","0.008","80.953","0.008","87.36","0.011","69.226","0.011","3592","2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C172 H182 N16 Zn2 -","- C172 H182 N16 Zn2 -","- C172 H182 N16 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.0953","0.0796","","0.204","0.188","0.204","","","","","","1.0002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515222","8.5307","0.0004","9.5523","0.0005","30.0128","0.0013","90","","90","","90","","2445.7","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O5 -","- C28 H28 N4 O5 -","- C112 H112 N16 O20 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C–H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0562","0.0402","","","0.1084","0.1404","","","","","","1.183","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515223","10.6627","0.0004","13.0584","0.0005","17.7049","0.0006","90","","90","","90","","2465.19","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N3 O3.35 Pd -","- C26 H25 N3 O3.352 Pd -","- C104 H100 N12 O13.408 Pd4 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0263","0.0231","","","0.049","0.0504","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515225","9.9798","0.0005","16.4442","0.001","24.1424","0.0014","90","","90","","90","","3962","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C134 Cl6 D2 F28 -","- C145.7 Cl5 F28 -","- C291.4 Cl10 F56 -","2","0.25","","Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H.","Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated","Chemical Science","2012","3","5","1399","","10.1039/c2sc01133f","","","0.41328","synchrotron","","0.1168","0.0895","","","0.2562","0.2951","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515226","8.45","0.0006","11.0814","0.0007","32.443","0.003","90","","90","","90","","3037.9","0.4","110","2","110","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 Fe N2 O4.41 P -","- C35 H33 Fe N2 O4.408 P -","- C140 H132 Fe4 N8 O17.632 P4 -","4","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0796","0.0549","","","0.1227","0.1319","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515227","7.0453","0.0003","24.2072","0.0008","9.1599","0.0004","90","","109.031","0.003","90","","1476.81","0.11","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Fe N2 O4 P -","- C34 H31 Fe N2 O4 P -","- C68 H62 Fe2 N4 O8 P2 -","2","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.057","0.0576","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515228","14.4225","0.0011","13.237","0.0012","9.0745","0.0008","90","","102.821","0.008","90","","1689.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl3 N5 Os -","- C14 H12 Cl3 N5 Os -","- C56 H48 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","1.54184","CUKα","","0.0357","0.0316","","","0.0898","0.0915","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515229","10.314","0.005","15.45","0.006","8.562","0.005","90","","96.39","0.05","90","","1355.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl3 N5 Os -","- C8 H12 Cl3 N5 Os -","- C32 H48 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","0.71073","MOKα","","0.0216","0.0192","","","0.0418","0.0423","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515230","10.466","","14.595","","10.063","","90","","92.79","","90","","1535.31","","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl3 N5 Os -","- C10 H16 Cl3 N5 Os -","- C40 H64 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","1.5418","CuKα","","0.0181","0.0181","","","0.0459","0.0459","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515231","10.4137","0.0003","11.0728","0.0003","11.4646","0.0003","87.628","0.002","70.662","0.002","66.25","0.002","1135.25","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl3 N5 Os -","- C16 H16 Cl3 N5 Os -","- C32 H32 Cl6 N10 Os2 -","2","1","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","0.71073","MOKα","","0.0197","0.0174","","","0.0497","0.05","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515232","24.2","0.003","13.427","0.0016","16.2572","0.0019","90","","95.747","0.002","90","","5256","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H27 Cl F6 N2 Rh Sb -","- C23.5 H27 Cl F6 N2 Rh Sb -","- C188 H216 Cl8 F48 N16 Rh8 Sb8 -","8","2","","Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie","Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds","Chemical Science","2012","3","5","1634","","10.1039/c2sc01081j","","","0.71073","MoKα","","0.0684","0.0636","","","0.1524","0.1565","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515233","18.507","0.007","10.873","0.004","17.673","0.007","90","","103.416","0.008","90","","3459","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 F6 N2 O2 Rh S Sb -","- C35 H36 F6 N2 O2 Rh S Sb -","- C140 H144 F24 N8 O8 Rh4 S4 Sb4 -","4","1","","Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie","Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds","Chemical Science","2012","3","5","1634","","10.1039/c2sc01081j","","","0.71073","MoKα","","0.1336","0.1045","","","0.1633","0.177","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515234","19.21","0.004","20.782","0.004","25.12","0.005","90","","90","","90","","10028","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C86 H109 F30 N16 O10 P -","- C86 H109 F30 N16 O10 P -","- C344 H436 F120 N64 O40 P4 -","4","1","","Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut","Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor","Chemical Science","2012","3","5","1522","","10.1039/c2sc00021k","","","0.71073","MoKα","","0.0701","0.0542","","","0.1036","0.1094","","","","","","1.482","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515235","13.939","0.002","14.194","0.005","14.511","0.003","93.624","0.003","118.198","0.002","96.509","0.003","2491.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 F15 N8 O4 -","- C43 H54 F15 N8 O4 -","- C86 H108 F30 N16 O8 -","2","1","","Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut","Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor","Chemical Science","2012","3","5","1522","","10.1039/c2sc00021k","","","0.71073","MoKα","","0.1072","0.0633","","","0.1769","0.2107","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515236","7.9976","0.001","30.448","0.004","13.5205","0.0018","90","","96.2528","0.0005","90","","3272.8","0.7","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","dibenzoborole","dibenzoborole","","- C21 H19 B -","- C21 H19 B -","- C168 H152 B8 -","8","2","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0528","0.0484","","","0.1143","0.1182","","","","","","1.109","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515237","22.546","0.004","22.546","0.004","7.1203","0.0013","90","","90","","90","","3619.4","1.1","123","2","123","2","","","","","","","","4","P 4/n :2","-P 4a","85","(indolo)(benzo)borole","(indolo)(benzo)borole","","- C24 H22 B N -","- C24 H22 B N -","- C192 H176 B8 N8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0614","0.0597","","","0.1343","0.1355","","","","","","1.152","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515238","25.956","0.008","8.077","0.003","16.85","0.005","90","","105.859","0.0011","90","","3398.1","1.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(benzofrano)(benzo)borole","(benzofrano)(benzo)borole","","- C23 H19 B O -","- C23 H19 B O -","- C184 H152 B8 O8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0745","0.0654","","","0.1669","0.1748","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515239","32.132","0.014","7.89","0.003","14.955","0.007","90","","106.728","0.007","90","","3631","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(benzothieno)(benzo)borole","(benzothieno)(benzo)borole","","- C23 H19 B S -","- C23 H19 B S -","- C184 H152 B8 S8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0883","0.0748","","","0.1841","0.1943","","","","","","1.139","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515240","4.4289","0.0004","9.6455","0.0018","17.6718","0.0018","101.395","0.008","95.279","0.008","92.673","0.007","735.28","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H23 Cl N6 -","- C11 H23 Cl N6 -","- C22 H46 Cl2 N12 -","2","1","","Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi","Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains","Chemical Science","2012","3","11","3227","","10.1039/c2sc20871g","","","0.71073","MoKα","","0.1011","0.0772","","","0.1406","0.1493","","","","","","1.236","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515241","16.242","0.0013","18.9077","0.0016","19.5236","0.0016","90","","94.318","0.001","90","","5978.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 B F4 N3 O8 -","- C67 H74 B F4 N3 O8 -","- C268 H296 B4 F16 N12 O32 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.1417","0.0763","","","0.1953","0.2443","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515242","14.1231","0.0017","23.13","0.003","26.377","0.003","90","","100.575","0.002","90","","8470.2","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H114 N4 O10 -","- C92 H98 N4 O8 -","- C368 H392 N16 O32 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2292","0.169","","","0.3701","0.407","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515243","13.833","0.002","29.043","0.004","38.755","0.006","90","","97.751","0.002","90","","15428","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76.5 H96.5 B2 Cl1.5 F8 N4 O8 -","- C76 H96 B2 F8 N4 O8 -","- C608 H768 B16 F64 N32 O64 -","8","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2103","0.1356","","","0.3416","0.3923","","","","","","1.077","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515244","21.517","0.003","39.753","0.005","11.1884","0.0015","90","","96.934","0.002","90","","9500","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H107.5 B2 Cl1.5 F8 N5 O12 -","- C89.49 H107.47 B2 Cl1.5 F8 N4.99 O11.98 -","- C357.96 H429.88 B8 Cl6 F32 N19.96 O47.92 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2158","0.1563","","","0.2932","0.3319","","","","","","1.153","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515245","14.951","0.003","16.589","0.003","9.3553","0.0016","100.333","0.002","92.296","0.002","91.691","0.002","2279.3","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H111 B2 F8 N9 O18 -","- C89 H111 B2 F8 N9 O18 -","- C89 H111 B2 F8 N9 O18 -","1","0.5","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.1228","0.0985","","","0.2636","0.2861","","","","","","0.998","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515246","5.4774","0.0013","10.39","0.002","25.084","0.006","90","","90","","90","","1427.5","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0408","0.0392","","","0.0961","0.0972","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515247","5.5219","0.0008","12.136","0.0017","23.04","0.003","90","","90","","90","","1544","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0334","0.0324","","","0.0833","0.0843","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515248","10.2817","0.0007","10.9413","0.0007","15.5048","0.0011","88.673","0.003","82.244","0.002","67.515","0.002","1596.1","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu F18 N O6 -","- C23 H23 Cu F18 N O6 -","- C46 H46 Cu2 F36 N2 O12 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0433","0.0356","","","0.0985","0.1067","","","","","","1.043","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515249","9.9155","0.0006","10.9991","0.0006","15.6366","0.0009","83.547","0.003","90.332","0.003","70.468","0.003","1595.32","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 F18 N Ni O6 -","- C23 H23 F18 N Ni O6 -","- C46 H46 F36 N2 Ni2 O12 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0555","0.0442","","","0.0977","0.1028","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515250","10.3786","0.0013","10.8425","0.0014","15.1786","0.0019","86.056","0.002","80.156","0.002","67.947","0.002","1559.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 F18 N O6 Zn -","- C23 H23 F18 N O6 Zn -","- C46 H46 F36 N2 O12 Zn2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0549","0.039","","","0.0957","0.1042","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515251","11.5841","0.0003","12.0774","0.0004","12.1591","0.0003","63.859","0.001","71.425","0.001","64.501","0.001","1360.82","0.07","200","2","199.98","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 Cu F12 N O6 S -","- C21 H15 Cu F12 N O6 S -","- C42 H30 Cu2 F24 N2 O12 S2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0462","0.0376","","","0.131","0.1406","","","","","","1.129","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515252","10.3431","0.0004","9.0814","0.0004","10.9394","0.0004","90","","102.94","0.002","90","","1001.44","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C46 H40 Cl2 N2 O4 S2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0279","0.0268","","","0.0625","0.0631","","","","","","0.975","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515253","11.9219","0.0004","12.6553","0.0004","13.531","0.0004","90","","106.461","0.002","90","","1957.82","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","jn203b","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C92 H80 Cl4 N4 O8 S4 -","4","2","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0426","0.0343","","","0.0778","0.0819","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515254","30.5539","0.0005","30.5539","","30.5539","","90","","90","","90","","28523.3","0.5","100","2","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C8 H10 Cd N4 -","- C7.5 H10 Cd N4 -","- C360 H480 Cd48 N192 -","48","0.5","","Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T.","Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange","Chemical Science","2012","3","11","3256","","10.1039/c2sc20558k","","","1.54184","CuKα","","0.0942","0.0673","","","0.2216","0.2352","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515255","7.3754","0.0002","11.0558","0.0003","9.6355","0.0003","90","","105.863","0.0017","90","","755.77","0.04","111","2","111","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N O2 -","- C8 H12 N O2 -","- C32 H48 N4 O8 -","4","1","","Sonobe, Toshiaki; Oisaki, Kounosuke; Kanai, Motomu","Catalytic aerobic production of imines en route to mild, green, and concise derivatizations of amines","Chemical Science","2012","3","11","3249","","10.1039/c2sc20699d","","","1.54187","CuKα","","0.0577","0.0414","","","0.0964","0.1173","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515256","43.03","0.002","43.03","0.002","43.03","0.002","90","","90","","90","","79674","6","100","2","100","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","MMPF-4","","","- C156 H60 N12 O50 Zn19 -","- C156 H60 N12 O50 Zn19 -","- C1248 H480 N96 O400 Zn152 -","8","0.166667","","Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian","Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin","Chemical Science","2012","3","9","2823","","10.1039/c2sc20330h","","","0.41328","synchrotron","","0.1429","0.1163","","","0.2742","0.2905","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515257","22.521","0.015","22.521","0.015","22.521","0.015","90","","90","","90","","11423","13","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","MMPF-5","","","- C156 H60 Cd11 N12 O51 -","- C156 H60 Cd11 N12 O51 -","- C156 H60 Cd11 N12 O51 -","1","0.0208333","","Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian","Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin","Chemical Science","2012","3","9","2823","","10.1039/c2sc20330h","","","1.54178","CuKα","","0.1067","0.0816","","","0.2268","0.2483","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515258","32.152","0.003","32.152","0.003","31.611","0.003","90","","90","","120","","28300","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C169.5 H273 Mn7 N18 O37.5 -","- C169.5 H262.5 Mn7 N18 O37.5 -","- C1017 H1575 Mn42 N108 O225 -","6","0.333333","","Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten","Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet","Chemical Science","2012","3","9","2868","","10.1039/c2sc20649h","","","0.71073","MoKα","","0.0667","0.0551","","","0.1458","0.1669","","","","","","1.129","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515259","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C53.528 H67.584 N11 O12.8618 -","- C107.056 H135.168 N22 O25.7236 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515260","23.1428","0.0013","17.9913","0.001","27.126","0.002","90","","97.895","0.001","90","","11187.4","1.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C104 H118 N22 O20 -","- C104 H118 N22 O20 -","- C416 H472 N88 O80 -","4","0.5","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.1217","0.0783","","","0.2038","0.218","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515261","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C51.4132 H58.1198 N10.7066 O10 -","- C102.826 H116.24 N21.4132 O20 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515262","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C46.5868 H50.8802 N8.2934 O10 -","- C93.1736 H101.76 N16.5868 O20 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515263","31.769","0.002","20.0818","0.0012","24.852","0.002","90","","129.585","0.003","90","","12219.2","1.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H110 Cl9 N7 S24 -","- C108 H106 Cl5 N7 S24 -","- C432 H424 Cl20 N28 S96 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","0.71075","MoKα","","0.2891","0.1086","","","0.2212","0.2479","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515264","28.3045","0.0009","24.6469","0.0008","17.5652","0.0006","90","","90","","90","","12253.8","0.7","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C110 H127 Cl3 N6 S20 -","- C109 H132 Cl N6 S20 -","- C436 H528 Cl4 N24 S80 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","1.5418","CuKα","","0.152","0.0874","","","0.2161","0.2662","","","","","","1.651","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515265","29.858","0.006","14.168","0.003","21.609","0.004","90","","90","","90","","9141","3","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C79 H85 Cl8 N5 S16 -","- C79.5 H80 Cl8 N5 S16 -","- C318 H320 Cl32 N20 S64 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","0.71075","MoKα","","0.2526","0.1431","","","0.3074","0.3361","","","","","","1.673","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515266","11.8651","0.0004","11.5596","0.0003","15.509","0.0006","90","","112.201","0.004","90","","1969.45","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cd N2 -","- C18 H36 Cd N2 -","- C72 H144 Cd4 N8 -","4","1","","Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D.","Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium–cadmium transmetallation?","Chemical Science","2012","3","9","2700","","10.1039/c2sc20392h","","","0.71073","MoKα","","0.042","0.0284","","","0.0512","0.0555","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515267","20.8494","0.0019","10","0.0007","13.5537","0.001","90","","90","","90","","2825.9","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H28 N6 Si -","- C32 H28 N6 Si -","- C128 H112 N24 Si4 -","4","0.5","","Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong","What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission","Chemical Science","2012","3","9","2737","","10.1039/c2sc20382k","","x-ray","1.5418","CuKα","","0.0588","0.0413","","","0.1049","0.1148","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515268","11.3125","0.0002","12.0218","0.0002","13.7304","0.001","102.179","0.007","107.108","0.008","93.227","0.007","1730.44","0.17","93","","93","","","","","","","","","4","P 1","P 1","1","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","4","","Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A.","Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis","Chemical Science","2012","3","1","121","","10.1039/c1sc00441g","","","1.54187","CuKα","","","0.0562","","","","0.1611","","","","","","1.088","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515270","7.4734","0.0019","46.036","0.012","6.1199","0.0016","90","","90","","90","","2105.5","0.9","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O -","- C24 H25 Br N2 O -","- C96 H100 Br4 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li","Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles","Chemical Science","2012","3","1","205","","10.1039/c1sc00517k","","","0.71073","MoKα","","0.0819","0.075","","","0.1864","0.1938","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515271","30.1073","0.0006","18.082","0.0003","22.4608","0.0004","90","","106.257","0.001","90","","11738.8","0.4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.5 H36 B F24 N5 P -","- C67.5 H36 B F24 N5 P -","- C540 H288 B8 F192 N40 P8 -","8","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.122","0.0759","","","0.1433","0.1619","","","","","","1.001","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515272","29.5322","0.0005","10.3705","0.0002","41.5808","0.0008","90","","99.1602","0.0008","90","","12572.3","0.4","93","2","93","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C596 H178 Cl26 F192 N40 O8 P8 -","8","2","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1505","0.0993","","","0.2551","0.2961","","","","","","0.988","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515273","19.4591","0.0005","8.6913","0.0002","37.1609","0.0011","90","","94.5998","0.0018","90","","6264.6","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H30 F24 N5 P S -","- C76 H30 F24 N5 P S -","- C304 H120 F96 N20 P4 S4 -","4","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1038","0.0675","","","0.1293","0.15","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515274","10.1849","0.0005","14.9773","0.0008","17.6759","0.001","85.568","0.003","88.271","0.003","76.766","0.003","2616.7","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C57.75 H11 Cl3 F24 N6 O1.5 P -","- C57.749 H11 Cl2.996 F24 N6 O1.502 P -","- C115.498 H22 Cl5.992 F48 N12 O3.004 P2 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1922","0.119","","","0.2902","0.3747","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515275","15.8942","0.0005","16.2322","0.0005","17.6688","0.0006","89.748","0.001","72.741","0.002","63.537","0.001","3853.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C14 H21 N9 O6 -","- C14 H21 N9 O6 -","- C112 H168 N72 O48 -","8","8","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0536","0.044","","","0.1069","0.1117","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515276","6.8516","0.0004","26.1435","0.0015","12.6653","0.0007","90","","102.975","0.003","90","","2210.7","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C48 H140 N12 O60 S4 -","2","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0524","0.0437","","","0.1022","0.106","","","","","","1.077","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515277","6.7453","0.0001","25.6806","0.0005","25.6822","0.0005","90","","90","","90","","4448.76","0.14","170","","170","","","","","","","","Synthesized by the authors. See text","5","C 2 2 21","C 2c 2","20","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C96 H280 N24 O120 S8 -","4","0.5","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.035","0.0335","","","0.1016","0.103","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515278","6.6138","0.0004","16.3922","0.001","23.9598","0.0014","101.113","0.003","92.328","0.003","95.176","0.003","2534","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1","P 1","1","","","","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","1","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0893","0.0766","","","0.1888","0.1971","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1556344","23.8831","0.0004","20.6857","0.0003","20.2699","0.0003","90","","92.546","0.001","90","","10004.2","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H253 Br7 Co6 O75 Ti27 -","- C107.94 H244.86 Br7 Co6 O75 Ti27 -","- C215.88 H489.72 Br14 Co12 O150 Ti54 -","2","0.5","","Lv, Yaokang; Willkomm, Janina; Steiner, Alexander; Gan, Lihua; Reisner, Erwin; Wright, Dominic S.","Encapsulation of a ‘naked’ Br− anion in a polyoxotitanate host","Chemical Science","2012","3","8","2470","","10.1039/c2sc20193c","","","0.71073","MoKα","","0.1064","0.0785","","","0.2167","0.2382","","","","","","0.971","","","","has coordinates,has disorder","244372","2020-10-21","18:00:00",""
"1556345","11.3168","0.0003","13.0498","0.0003","19.2278","0.0004","95.398","0.0019","103.654","0.002","97.2625","0.0019","2714.5","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C22.5 H27 Cl F6 I N2 O2 Os P -","- C22.5 H26 Cl F6 I N2 O2 Os P -","- C90 H104 Cl4 F24 I4 N8 O8 Os4 P4 -","4","2","","Fu, Ying; Romero, María J.; Habtemariam, Abraha; Snowden, Michael E.; Song, Lijiang; Clarkson, Guy J.; Qamar, Bushra; Pizarro, Ana M.; Unwin, Patrick R.; Sadler, Peter J.","The contrasting chemical reactivity of potent isoelectronic iminopyridine and azopyridine osmium(ii) arene anticancer complexes","Chemical Science","2012","3","8","2485","","10.1039/c2sc20220d","","","0.71073","MoKα","","0.045","0.0332","","","0.0793","0.0817","","","","","","1.061","","","","has coordinates,has disorder","244373","2020-10-21","18:00:00",""
"1556346","7.9553","0.0006","7.9553","0.0006","18.7605","0.0013","90","","90","","90","","1187.29","0.15","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(H2im)2SO4.2H2O","IMIDAZOLIUM SULFATE DIHYDRATE","","- C6 H14 N4 O6 S -","- C6 H14 N4 O6 S -","- C24 H56 N16 O24 S4 -","4","0.5","","Cliffe, Matthew J.; Mottillo, Cristina; Stein, Robin S.; Bučar, Dejan-Krešimir; Friščić, Tomislav","Accelerated aging: a low energy, solvent-free alternative to solvothermal and mechanochemical synthesis of metal–organic materials","Chemical Science","2012","3","8","2495","","10.1039/c2sc20344h","","","0.71073","MoKα","","0.0274","0.0256","","","0.0701","0.0711","","","","","","1.102","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556347","17.5328","0.0003","30.3514","0.0005","49.1818","0.0008","90","","90","","90","","26171.9","0.8","298","2","298","2","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- C144 Cu6 O42 P3 -","- C144 Cu6 O42 P3 -","- C288 Cu12 O84 P6 -","2","0.25","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.0895","0.065","","","0.1796","0.1907","","","","","","1.083","","","","has coordinates,has disorder","244375","2020-10-21","18:00:00",""
"1556348","24.4616","0.0004","24.4616","0.0004","71.8721","0.0012","90","","90","","90","","43006.1","1.2","298","2","298","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C48 H24 Cu2 O14 P -","- C48 H24 Cu2 O14 P -","- C384 H192 Cu16 O112 P8 -","8","0.5","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.0408","0.0271","","","0.0501","0.053","","","","","","0.811","","","","has coordinates","244375","2020-10-21","18:00:00",""
"1556349","18.744","0.0008","18.744","0.0008","29.259","0.0012","90","","90","","90","","10279.8","0.8","296","2","296","2","","","","","","","","3","P 42 2 2","P 4c 2","93","","","","- C26 Cu O5 -","- C26 Cu O6 -","- C104 Cu4 O24 -","4","0.5","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.2003","0.164","","","0.4129","0.438","","","","","","1.276","","","","has coordinates","244375","2020-10-21","18:00:00",""
"1556350","14.7976","0.0003","23.2598","0.0005","20.8144","0.0004","90","","92.145","0.002","90","","7159.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H75 K N7 Nd O10 -","- C79 H75 K N7 Nd O10 -","- C316 H300 K4 N28 Nd4 O40 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0853","0.0469","","","0.0937","0.1061","","","","","","1.021","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556351","16.1709","0.0013","17.5403","0.0013","19.5362","0.0015","90.671","0.006","113.704","0.007","96.867","0.006","5026.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C108.1 H150.89 K N4 Nd O12 -","- C108.094 H150.886 K N4 Nd O12 -","- C216.188 H301.772 K2 N8 Nd2 O24 -","2","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.1413","0.0706","","","0.1354","0.1475","","","","","","0.963","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556352","15.6191","0.0005","27.7932","0.0008","19.045","0.0006","90","","97.395","0.003","90","","8198.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C355 H283 K18 N47 Nd6 O24 -","2","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0914","0.0626","","","0.1206","0.1355","","","","","","1.054","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556353","14.5693","0.0013","30.262","0.003","14.6011","0.0013","90","","108.494","0.009","90","","6105.1","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 K3 N9 O4 Tb -","- C65 H53 K3 N9 O4 Tb -","- C260 H212 K12 N36 O16 Tb4 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.1479","0.1004","","","0.2392","0.2722","","","","","","1.055","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556354","14.0578","0.0005","12.1559","0.0004","19.078","0.0007","90","","89.466","0.004","90","","3260","0.2","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C64 H78 I K2 N4 Nd O16 -","- C64 H78 I K2 N4 Nd O16 -","- C128 H156 I2 K4 N8 Nd2 O32 -","2","0.5","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0937","0.0654","","","0.1776","0.1999","","","","","","1.074","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556355","13.3718","0.0003","15.0596","0.0003","19.3034","0.0004","90","","102.603","0.002","90","","3793.54","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H45.5 K N3.5 Nd O8 -","- C39.5 H45.5 K N3.5 Nd O8 -","- C158 H182 K4 N14 Nd4 O32 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0613","0.0384","","","0.0731","0.0796","","","","","","1.036","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556356","11.3941","0.0002","12.6121","0.0002","14.341","0.0002","66.008","0.001","82.323","0.001","66.713","0.001","1728.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H112 Ni2 P10 -","- C65 H112 Ni2 P10 -","- C65 H112 Ni2 P10 -","1","0.5","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0458","0.0408","","","0.1111","0.1159","","","","","","1.063","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556357","20.4091","0.0011","16.3489","0.0009","26.2219","0.0018","90","","111.97","0.001","90","","8114","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C87 H114 O2 P8 Pt2 -","- C87 H114 O2 P8 Pt2 -","- C348 H456 O8 P32 Pt8 -","4","1","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0459","0.0329","","","0.0571","0.0612","","","","","","1.015","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556358","12.3521","0.0003","14.0198","0.0003","23.3487","0.0005","74.059","0.001","80.729","0.001","82.851","0.001","3823.38","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H106 O P8 Pd2 -","- C83 H106 O P8 Pd2 -","- C166 H212 O2 P16 Pd4 -","2","1","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0594","0.0539","","","0.1587","0.1624","","","","","","1.264","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556359","23.055","0.0002","23.055","0.0002","31.0318","0.0004","90","","90","","120","","14284.6","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C108 H126 Ni2 P8 -","- C108 H126 Ni2 P8 -","- C648 H756 Ni12 P48 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0376","0.0327","","","0.0855","0.0905","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556360","23.0523","0.0008","23.0523","0.0008","31.4482","0.0011","90","","90","","120","","14472.9","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H126 As2 Ni2 P6 -","- C108 H126 As2 Ni2 P6 -","- C648 H756 As12 Ni12 P36 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0368","0.0277","","","0.0695","0.0766","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556361","9.307","0.0001","11.3957","0.0001","19.4004","0.0002","87.957","0.001","81.71","0.001","71.96","0.001","1935.92","0.04","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1822","","","- C44 H54 Mg N2 O -","- C44 H54 Mg N2 O -","- C88 H108 Mg2 N4 O2 -","2","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0846","0.0491","","","0.1284","0.147","","","","","","1.038","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556362","9.2133","0.0001","12.1983","0.0001","15.8164","0.0002","85.663","0.001","78.098","0.001","87.241","0.001","1733.39","0.03","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1825","","","- C37 H58 Mg N2 O -","- C37 H58 Mg N2 O -","- C74 H116 Mg2 N4 O2 -","2","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0632","0.0427","","","0.1078","0.118","","","","","","1.037","","","","has coordinates","244378","2020-10-21","18:00:00",""
"1556363","18.122","0.0002","14.9771","0.0002","18.2681","0.0002","90","","103.969","0.001","90","","4811.6","0.1","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Chisholm 1828","","","- C52 H70 Mg N2 O4 -","- C52 H70 Mg N2 O4 -","- C208 H280 Mg4 N8 O16 -","4","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.1069","0.0602","","","0.1608","0.1876","","","","","","1.028","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556364","18.4898","0.0003","18.3357","0.0003","12.0991","0.0002","90","","123.001","0.001","90","","3440.09","0.11","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","Chisholm 1855","","","- C72 H114 Mg2 N4 O2 -","- C72 H114 Mg2 N4 O2 -","- C144 H228 Mg4 N8 O4 -","2","0.25","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0837","0.0596","","","0.1595","0.1745","","","","","","1.037","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556365","28.1795","0.0007","14.8684","0.0004","8.9668","0.0002","90","","90","","90","","3756.95","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H50 Dy3 N8 O21 -","- C22 H49 Dy3 N8 O21 -","- C88 H196 Dy12 N32 O84 -","4","1","","Wang, Yu-Xia; Shi, Wei; Li, Han; Song, You; Fang, Liang; Lan, Yanhua; Powell, Annie K.; Wernsdorfer, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Shen, Mingrong; Cheng, Peng","A single-molecule magnet assembly exhibiting a dielectric transition at 470 K","Chemical Science","2012","3","12","3366","","10.1039/c2sc21023a","","","0.71073","MoKα","","0.0412","0.0404","","","0.0987","0.0993","","","","","","1.06","","","","has coordinates","244379","2020-10-21","18:00:00",""
"1556366","10.762","0.0003","11.0051","0.0003","25.8757","0.0009","85.0791","0.0015","82.5425","0.0016","64.607","0.0015","2743.58","0.15","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H35 N O7 P Si2 W -","- C19 H35 N O7 P Si2 W -","- C76 H140 N4 O28 P4 Si8 W4 -","4","2","","Schulten, Christian; von Frantzius, Gerd; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Deoxygenation of carbon dioxide by electrophilic terminal phosphinidene complexes","Chemical Science","2012","3","12","3526","","10.1039/c2sc21081a","","","0.71073","MoKα","","0.0791","0.0391","","","0.0644","0.0727","","","","","","0.878","","","","has coordinates","244380","2020-10-21","18:00:00",""
"1556367","6.2648","0.0002","8.9839","0.0003","20.5622","0.0005","90","","95.46","0.001","90","","1152.04","0.06","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F3 N2 O -","- C12 H9 F3 N2 O -","- C48 H36 F12 N8 O4 -","4","1","","Feng, Chao; Loh, Teck-Peng","Copper-catalyzed olefinic trifluoromethylation of enamides at room temperature","Chemical Science","2012","3","12","3458","","10.1039/c2sc21164e","","","0.71073","MoKα","","0.0588","0.0454","","","0.1258","0.1427","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556368","11.3277","0.0018","18.234","0.003","15.932","0.003","90","","97.573","0.002","90","","3262","1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H25 Cl3 F12 N5 O P2 Ru -","- C24.5 H25 Cl3 F12 N5 O P2 Ru -","- C98 H100 Cl12 F48 N20 O4 P8 Ru4 -","4","1","","Ohzu, Shingo; Ishizuka, Tomoya; Hirai, Yuichirou; Jiang, Hua; Sakaguchi, Miyuki; Ogura, Takashi; Fukuzumi, Shunichi; Kojima, Takahiko","Mechanistic insight into catalytic oxidations of organic compounds by ruthenium(iv)-oxo complexes with pyridylamine ligands","Chemical Science","2012","3","12","3421","","10.1039/c2sc21195e","","","0.71073","MoKα","","0.0753","0.0512","","","0.1262","0.1407","","","","","","1.033","","","","has coordinates,has disorder","244382","2020-10-21","18:00:00",""
"1556369","11.892","0.003","7.5168","0.0013","17.092","0.004","90","","95.099","0.008","90","","1521.8","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C.","An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals","Chemical Science","2012","3","12","3436","","10.1039/c2sc21298f","","","1.54187","CuKα","","","0.1086","","","","0.3165","","","","","","1.465","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556370","19.168","0.013","6.189","0.005","8.461","0.005","90","","90","","90","","1003.7","1.2","93","","93","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","0.5","","McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C.","An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals","Chemical Science","2012","3","12","3436","","10.1039/c2sc21298f","","","0.71075","MoKα","","","0.1057","","","","0.2968","","","","","","1.134","","","","has coordinates","244383","2020-10-21","18:00:00",""