# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T11:48:52+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R -3 c' 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
"1545608","22.6491","0.0003","22.6491","0.0003","71.0014","0.0013","90","","90","","120","","31542.7","0.8","173","2","173","2","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C124 H270 Ag41 Cr2 N7 O17 S30 -","- C124 H270 Ag41 Cr2 N7 O17 S30 -","- C744 H1620 Ag246 Cr12 N42 O102 S180 -","6","","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71","MoKα","","0.0663","0.0595","","","0.1638","0.172","","","","","","1.024","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1547542","20.4648","0.0008","20.4648","0.0008","73.392","0.003","90","","90","","120","","26619.2","1.8","180","0.1","180","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C108 H111 N3 O6 -","- C108 H111 N3 O6 -","- C1296 H1332 N36 O72 -","12","","","Chen, Zhongtao; Zhao, Xiangxiang; Gong, Xinyi; Xu, Di; Ma, Yuguo","Macrocyclic Trinuclear Nickel Phenoxyimine Catalysts for High-Temperature Polymerization of Ethylene and Isospecific Polymerization of Propylene","Macromolecules","2017","50","17","6561","","10.1021/acs.macromol.7b00996","","","0.71073","MoKα","","0.1288","0.0661","","","0.1723","0.1909","","","","","","0.891","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547873","19.4293","0.0016","19.4293","0.0016","129.434","0.011","90","","90","","120","","42315","6","130","","130","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C192 H216 Au37.01 Cu S24 -","- C192 H216 Au37.004 Cu0.996 S24 -","- C1152 H1296 Au222.024 Cu5.976 S144 -","6","","","Chai, Jinsong; Lv, Ying; Yang, Sha; Song, Yongbo; Zan, Xiaofeng; Li, Qinzhen; Yu, Haizhu; Wu, Mingzai; Zhu, Manzhou","X-ray Crystal Structure and Optical Properties of Au38‒xCux(2,4-(CH3)2C6H3S)24 (x = 0‒6) Alloy Nanocluster","The Journal of Physical Chemistry C","2017","121","39","21665","","10.1021/acs.jpcc.7b05074","","","0.71073","MoKα","","0.0917","0.0527","","","0.1213","0.1395","","","","","","1.027","","","","has coordinates,has disorder","202633","2020-10-21","18:00:00",""
"1548414","25.1849","0.0004","25.1849","0.0004","33.2733","0.0007","90","","90","","120","","18277.1","0.6","298","2","298","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C12 H12 Ag2 F4 N2 O4 -","- C12 H12 Ag2 F4 N2 O4 -","- C432 H432 Ag72 F144 N72 O144 -","36","","","Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer","Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls","Philosophical Transactions of the Royal Society A","2017","375","","1","16","10.1098/rsta.2016.0031","","x-ray","0.71073","MoKα","","0.0317","0.0276","","","0.0734","0.0757","","","","","","1.07","","","","has coordinates","287943","2023-12-01","18:00:38",""
"1549465","24.2592","0.0006","24.2592","0.0006","74.473","0.002","90","","90","","120","","37956.2","1.7","230","2","230","","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C105 H87 Au13 Cu4 N3 P3 Se9 -","- C105 H87 Au13 Cu4 N3 P3 Se9 -","- C1260 H1044 Au156 Cu48 N36 P36 Se108 -","12","","","Song, Yongbo; Lv, Ying; Zhou, Meng; Luo, Tian-Yi; Zhao, Shuo; Rosi, Nathaniel L.; Yu, Haizhu; Zhu, Manzhou; Jin, Rongchao","Single Ligand Exchange on an Au-Cu Bimetal Nanocluster and Mechanism","Nanoscale","2018","","","","","10.1039/C8NR01611A","","x-ray","1.54178","CuKα","","0.0779","0.0564","","","0.1777","0.2014","","","","","","1.063","","","","has coordinates","207979","2020-10-21","18:00:00",""
"1550198","30.37","0.0004","30.37","0.0004","39.4849","0.0006","90","","90","","120","","31539.2","0.8","150","0.1","150","0.1","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C162 H168 Ag34 F27 N6 O24 S20 -","- C162 H168 Ag34 F27 N6 O24 S19.9998 -","- C972 H1008 Ag204 F162 N36 O144 S119.999 -","6","","","Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan","New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure","Nanoscale","2018","","","","","10.1039/C8NR07714B","","x-ray","1.54184","CuKα","","0.0797","0.06","","","0.1731","0.1941","","","","","","1.033","","","","has coordinates,has disorder","211819","2020-10-21","18:00:00",""
"1550199","30.3706","0.0005","30.3706","0.0005","39.4126","0.0008","90","","90","","120","","31482.7","1","150.01","0.1","150.01","0.1","","","","","","","","8","R -3 c","-R 3 2""c","167","","","","- C162 H168 Ag33 Au F27 N6 O24 S20 -","- C162 H168 Ag33 Au F27 N6 O24 S19.9998 -","- C972 H1008 Ag198 Au6 F162 N36 O144 S119.999 -","6","","","Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan","New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure","Nanoscale","2018","","","","","10.1039/C8NR07714B","","x-ray","1.54184","CuKα","","0.0796","0.0536","","","0.1472","0.1718","","","","","","1.022","","","","has coordinates,has disorder","211819","2020-10-21","18:00:00",""
"1550675","54.3601","0.001","54.3601","0.001","42.0659","0.0013","90","","90","","120","","107652","4","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C80 H44 N4 O24 Zn5 -","- C80 H44 N4 O24 Zn5 -","- C1440 H792 N72 O432 Zn90 -","18","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.146","0.0938","","","0.2655","0.3082","","","","","","1.001","","","","has coordinates","213903","2020-10-21","18:00:00",""
"2001660","9.73439","0.00009","9.73439","0.00009","11.892","0.0002","90","","90","","120","","975.89","0.02","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- Ir O6 Sr4 -","- Ir O6 Sr4 -","- Ir6 O36 Sr24 -","6","","HU1016","Powell, A. V.; Battle, P. D.; Gore, J. G.","Structure of Sr~4~IrO~6~ by time-of-flight neutron powder diffraction","Acta Crystallographica Section C","1993","49","5","852","854","10.1107/S0108270192012721","","neutron","","Neutron","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001839","9.4543","0.0005","9.4543","0.0005","83.2","0.01","90","","90","","120","","6440.4","0.9","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- Cs4 Mo21 S25 -","- Cs4 Mo21 S25 -","- Cs24 Mo126 S150 -","6","","DU1004","Gougeon, P.; Potel, M.","Cs~4~Mo~21~S~25~: a new structure type containing Mo~9~ and Mo~12~ condensed clusters","Acta Crystallographica Section C","1993","49","3","427","430","10.1107/S0108270192006036","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001979","16.154","0.002","16.154","0.002","22.859","0.003","90","","90","","120","","5165.9","1.1","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- C18 H54 Si8 -","- C18 H54 Si8 -","- C108 H324 Si48 -","6","","HE0040","Fronczek, F. R.; Lickiss, P. D.","Structure of the highly crowded alkyne di[tris(trimethylsilyl)methyl]acetylene and the octasilane hexakis(trimethylsilyl)disilane","Acta Crystallographica Section C","1993","49","2","331","333","10.1107/S0108270192002737","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010095","8.2896","0.0008","8.2896","0.0008","23.53","0.004","90","","90","","120","","1400.3","0.3","295","2","","","","","","","","","","4","R -3 c","-R 3 2""c","","","","","- O12 P3 Rb Ti2 -","- O12 P3 Rb Ti2 -","- O72 P18 Rb6 Ti12 -","6","","DU1070","Duhlev, R.","RbTi~2~(PO~4~)~3~","Acta Crystallographica Section C","1994","50","10","1525","1527","10.1107/S0108270194000788","","","0.71073","MoKα","","","0.0277","","","0.0276","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2021332","21.418","0.003","21.418","0.003","12.2911","0.0018","90","","90","","120","","4882.9","1.2","150","2","150","2","","","","","","","","4","R -3 c","-R 3 2""c","167","","Pentasodium iron(III) silicate","","- Fe Na4.96 O12 Si4 -","- Fe Na4.96067 O12 Si4 -","- Fe18 Na89.292 O216 Si72 -","18","","FN3279","Ahmadzadeh, Mostafa; Olds, Travis A.; Scrimshire, Alex; Bingham, Paul A.; McCloy, John S.","Structure and properties of Na~5~FeSi~4~O~12~ crystallized from 5Na~2~O‒Fe~2~O~3~‒8SiO~2~ glass","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014353","","","0.71073","MoKα","","0.0308","0.0192","","","0.0436","0.0458","","","","","","1.013","","","","has coordinates,has Fobs","211917","2020-10-21","18:00:00",""
"2102006","5.52","","5.52","","13.52","","90","","90","","120","","356.768","","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- F Nb O2 -","- F3 Nb O3 -","- F18 Nb6 O18 -","6","","AD0088","Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.","High-pressure transformations of NbO~2~F","Acta Crystallographica Section B","2000","56","2","189","196","10.1107/S0108768199015311","","","0.3738","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102007","5.3067","0.0004","5.3067","0.0004","13.5495","0.0008","90","","90","","120","","330.45","0.04","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- F Nb O2 -","- F3 Nb O3 -","- F18 Nb6 O18 -","6","","AD0088","Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.","High-pressure transformations of NbO~2~F","Acta Crystallographica Section B","2000","56","2","189","196","10.1107/S0108768199015311","","","0.3738","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102008","5.2357","0.0003","5.2357","0.0003","13.5542","0.0012","90","","90","","120","","321.78","0.04","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- F Nb O2 -","- F3 Nb O3 -","- F18 Nb6 O18 -","6","","AD0088","Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.","High-pressure transformations of NbO~2~F","Acta Crystallographica Section B","2000","56","2","189","196","10.1107/S0108768199015311","","","0.3738","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102009","5.1232","0.0004","5.1232","0.0004","13.6017","0.0017","90","","90","","120","","309.18","0.05","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- F Nb O2 -","- F3 Nb O3 -","- F18 Nb6 O18 -","6","","AD0088","Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.","High-pressure transformations of NbO~2~F","Acta Crystallographica Section B","2000","56","2","189","196","10.1107/S0108768199015311","","","0.3738","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102010","4.9462","0.0004","4.9462","0.0004","13.6689","0.0018","90","","90","","120","","289.61","0.05","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- F Nb O2 -","- F3 Nb O3 -","- F18 Nb6 O18 -","6","","AD0088","Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.","High-pressure transformations of NbO~2~F","Acta Crystallographica Section B","2000","56","2","189","196","10.1107/S0108768199015311","","","0.3738","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102011","4.8552","0.0003","4.8552","0.0003","13.7","0.0014","90","","90","","120","","279.68","0.04","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- F Nb O2 -","- F3 Nb O3 -","- F18 Nb6 O18 -","6","","AD0088","Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.","High-pressure transformations of NbO~2~F","Acta Crystallographica Section B","2000","56","2","189","196","10.1107/S0108768199015311","","","0.3738","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102012","4.8232","0.0003","4.8232","0.0003","13.7125","0.0018","90","","90","","120","","276.26","0.04","","","","","","","","","","","","3","R -3 c","-R 3 2""c","","","","","- F Nb O2 -","- F3 Nb O3 -","- F18 Nb6 O18 -","6","","AD0088","Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E.","High-pressure transformations of NbO~2~F","Acta Crystallographica Section B","2000","56","2","189","196","10.1107/S0108768199015311","","","0.3738","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104122","4.958","0.001","4.958","0.001","13.59","0.03","90","","90","","120","","289.3","0.6","298","","298","","","","","","","","","2","R -3 c","-R 3 2""c","167","Chromium Oxide","","","- Cr2 O3 -","- Cr6 O9 -","- Cr12 O18 -","2","","BP5009","Yang, J.","Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data","Acta Crystallographica Section B","2008","64","3","281","286","10.1107/S0108768108005739","","","1.54176","CuKα","","","","","","","","","","0.0182","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2104126","5.4831","0.0002","5.4831","0.0002","13.2091","0.0003","90","","90","","120","","343.919","0.019","298","","298","","","","","","","","","4","R -3 c","-R 3 2""c","167","Lanthanum Chromium Nickel trioxide","","","- Cr0.3 La Ni0.7 O3 -","- Cr0.9 La3 Ni2.1 O9 -","- Cr1.8 La6 Ni4.2 O18 -","2","","BP5009","Yang, J.","Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data","Acta Crystallographica Section B","2008","64","3","281","286","10.1107/S0108768108005739","","","1.54176","CuKα","","","","","","","","","","0.0308","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104127","5.4809","0.0003","5.4809","0.0003","13.207","0.0005","90","","90","","120","","343.59","0.03","298","","298","","","","","","","","","4","R -3 c","-R 3 2""c","167","Lanthanum Chromium Nickel trioxide","","","- Cr0.2 La Ni0.8 O3 -","- Cr0.6 La3 Ni2.4 O9 -","- Cr1.2 La6 Ni4.8 O18 -","2","","BP5009","Yang, J.","Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data","Acta Crystallographica Section B","2008","64","3","281","286","10.1107/S0108768108005739","","","1.54176","CuKα","","","","","","","","","","0.0195","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104128","5.4747","0.0006","5.4747","0.0006","13.199","0.0003","90","","90","","120","","342.6","0.05","298","","298","","","","","","","","","4","R -3 c","-R 3 2""c","167","Lanthanum Chromium Nickel trioxide","","","- Cr0.1 La Ni0.9 O3 -","- Cr0.3 La3 Ni2.7 O9 -","- Cr0.6 La6 Ni5.4 O18 -","2","","BP5009","Yang, J.","Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data","Acta Crystallographica Section B","2008","64","3","281","286","10.1107/S0108768108005739","","","1.54176","CuKα","","","","","","","","","","0.0213","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104129","5.4561","0.0001","5.4561","0.0001","13.1432","0.0003","90","","90","","120","","338.841","0.012","298","","298","","","","","","","","","3","R -3 c","-R 3 2""c","167","Lanthanum Nickel trioxide","","","- La Ni O3 -","- La3 Ni3 O9 -","- La6 Ni6 O18 -","2","","BP5009","Yang, J.","Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data","Acta Crystallographica Section B","2008","64","3","281","286","10.1107/S0108768108005739","","","1.54176","CuKα","","","","","","","","","","0.0221","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2233748","12.73","0.0016","12.73","0.0016","66.789","0.012","90","","90","","120","","9373","2","200","2","200","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","μ~3~-Chlorido-tris(bis{1-[2-(dimethylamino)ethyl]-3-methylimidazol-2- ylidene}silver(I)) dichloride","","- C16 H30 Ag Cl N6 -","- C16 H30 Ag Cl N6 -","- C288 H540 Ag18 Cl18 N108 -","18","","BT5811","Topf, Christoph; Leitner, Sebastian; Monkowius, Uwe","μ~3~-Chlorido-tris(bis{1-[2-(dimethylamino)ethyl]-3-methylimidazol-2-ylidene}silver(I)) dichloride","Acta Crystallographica Section E","2012","68","3","m272","","10.1107/S1600536812004473","","","0.71073","MoKα","","0.0422","0.0343","","","0.0894","0.0947","","","","","","1.028","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"3500067","11.8359","0.0004","11.8359","0.0004","11.8492","0.0004","90","","90","","120","","1437.55","0.08","150","","150","","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- Al Cl3 H12 O6 -","- Al Cl3 H12 O6 -","- Al6 Cl18 H72 O36 -","6","","","Maris, Thierry","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0242","0.024","","","0.0562","0.0563","","","","","","1.263","","","","has coordinates,has Fobs","197160","2020-10-21","18:00:00",""
"4085950","24.599","0.011","24.599","0.011","40.161","0.01","90","","90","","120","","21046","14","173","2","173","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C146 H178 B6 K6 O14 -","- C146 H178.002 B6 K6 O14 -","- C876.002 H1068.01 B36 K36 O84 -","6","","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Ring Expansion Reactions of Electron-Rich Boron-Containing Heterocycles","Organometallics","2015","34","13","3408","","10.1021/acs.organomet.5b00390","","","0.71073","MoKα","","0.158","0.1158","","","0.2259","0.2476","","","","","","1.203","","","","has coordinates","152883","2020-10-21","18:00:00",""
"4126096","27.696","0.005","27.696","","72.829","0.013","90","","90","","120","","48380","12","100","2","100.45","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C51 H34 Fe3 N6 O13 -","- C51 H34 Fe3 N6 O13 -","- C918 H612 Fe54 N108 O234 -","18","","","Zhang, Feng-Ming; Dong, Long-Zhang; Qin, Jun-Sheng; Guan, Wei; Liu, Jiang; Li, Shun-Li; Lu, Meng; Lan, Ya-Qian; Su, Zhong-Min; Zhou, Hong-Cai","Effect of Imidazole Arrangements on Proton-Conductivity in Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","17","6183","6189","10.1021/jacs.7b01559","","x-ray","0.71073","MoKα","","0.121","0.0991","","","0.2242","0.2382","","","","","","1.125","","","","has coordinates,has disorder","197244","2020-10-21","18:00:00",""
"4126909","18.4438","0.0012","18.4438","0.0012","62.155","0.008","90","","90","","120","","18311","3","173","","173","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C18 Cl17 Cs3 N6 O78 Ti12 -","- C18 Cl17 Cs3 N6 O78 Ti12 -","- C108 Cl102 Cs18 N36 O468 Ti72 -","6","","","Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng","Titanium-Oxide Host Clusters with Exchangeable Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10565","","","0.71073","MoKα","","0.0996","0.0966","","","0.2864","0.2883","","","","","","1.175","","","","has coordinates,has disorder","204521","2020-10-21","18:00:00",""
"4337624","16.8951","0.0002","16.8951","0.0002","103.8149","0.0015","90","","90","","120","","25663.3","0.6","100","","100","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C127 H192 Fe6 O59 P6 Tb6 -","- C127 H192 Fe6 O59 P6 Tb6 -","- C762 H1152 Fe36 O354 P36 Tb36 -","6","","","Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.","Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.","Inorganic chemistry","2014","53","6","3032","3038","10.1021/ic402839q","","","0.7107","MoKα","","0.1031","0.095","","","0.1972","0.2011","","","","","","1.232","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337625","34.247","0.0004","34.247","0.0004","103.0464","0.0012","90","","90","","120","","104667","2","100","2","100","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C127 H240 Fe6 Gd6 O59 P6 -","- C127 H240 Fe6 Gd6 O59 P6 -","- C3048 H5760 Fe144 Gd144 O1416 P144 -","24","","","Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.","Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.","Inorganic chemistry","2014","53","6","3032","3038","10.1021/ic402839q","","","0.6889","synchrotron","","0.1296","0.0993","","","0.2927","0.3327","","","","","","1.066","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337626","16.8883","0.0003","16.8883","0.0003","103.953","0.002","90","","90","","120","","25676.7","0.8","100","","100","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C127 H192 Fe6 Gd6 O59 P6 -","- C127 H192 Fe6 Gd6 O59 P6 -","- C762 H1152 Fe36 Gd36 O354 P36 -","6","","","Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.","Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.","Inorganic chemistry","2014","53","6","3032","3038","10.1021/ic402839q","","","0.7107","MoKα","","0.075","0.0717","","","0.1433","0.1449","","","","","","1.257","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337716","17.3669","0.0003","17.3669","0.0003","25.4356","0.0005","90","","90","","120","","6643.8","0.2","296","2","296","2","","","","","","","","4","R -3 c","-R 3 2""c","167","Neodymium(III) dodecamolybdate hydrate","","","- H0 Mo12 Nd4 O53 -","- Mo12 Nd4 O53 -","- Mo72 Nd24 O318 -","6","","","Cross, Justin N.; Cary, Samantha K.; Stritzinger, Jared T.; Polinski, Matthew J.; Albrecht Schmitt, Thomas E.","Synthesis and Spectroscopy of New Plutonium(III) and -(IV) Molybdates: Comparisons of Electronic Characteristics.","Inorganic chemistry","2014","53","6","3148","3152","10.1021/ic403116r","","","0.71073","MoKα","","0.049","0.0365","","","0.0944","0.1014","","","","","","1.059","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4342487","18.885","0.003","18.885","0.003","101.44","0.02","90","","90","","120","","31331","9","100","2","100.15","","","","","","","","","7","R -3 c","-R 3 2""c","167","M2L3OH","","","- C90 H78 B4 Co2 F16 N18 O6 -","- C90 H78 B1.5 Co2 F6 N18 O6 -","- C1080 H936 B18 Co24 F72 N216 O72 -","12","","","Cullen, William; Hunter, Christopher A.; Ward, Michael D.","An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process.","Inorganic chemistry","2015","54","6","2626","2637","10.1021/ic502780b","","","0.71075","MoKα","","0.2427","0.1876","","","0.4864","0.5191","","","","","","1.692","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4505537","24.527","0.001","24.527","0.001","71.355","0.004","90","","90","","120","","37174","3","225.01","","225.01","","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C144 H72 O26 Zn8 -","- C141 H69 O26 Zn8 -","- C423 H207 O78 Zn24 -","3","","","Eryazici, Ibrahim; Farha, Omar K.; Hauser, Brad G.; Yazaydın, A. Özgür; Sarjeant, Amy A.; Nguyen, SonBinh T.; Hupp, Joseph T.","Two Large-Pore Metal‒Organic Frameworks Derived from a Single Polytopic Strut","Crystal Growth & Design","2012","12","3","1075","","10.1021/cg201520z","","","1.54184","CuKα","","0.1031","0.0695","","","0.1834","0.196","","","","","","0.841","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4512539","6.219","0.0002","6.219","0.0002","37.1067","0.0011","90","","90","","120","","1242.87","0.07","296","2","296","2","","","","","","","","3","R -3 c","-R 3 2""c","167","Copper (I) Tantalum (V) Oxide (2/4/11)","","","- Cu2 O11 Ta4 -","- Cu2.01 O11 Ta4 -","- Cu12.06 O66 Ta24 -","6","","","King, Nacole; Sommer, Roger D.; Watkins-Curry, Pilanda; Chan, Julia Y.; Maggard, Paul A.","Synthesis, Structure, and Thermal Instability of the Cu2Ta4O11Phase","Crystal Growth & Design","2015","15","2","552","","10.1021/cg500987c","","x-ray","0.71073","MoKα","","0.0236","0.0236","","","0.0666","0.0666","","","","","","1.377","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4514303","37.914","0.003","37.914","0.003","29.541","0.002","90","","90","","120","","36775","5","296","2","296.15","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C60 H46 Co3 N6 O14 -","- C60 H46 Co3 N6 O14 -","- C1080 H828 Co54 N108 O252 -","18","","","Zhang, Tao; Hu, Yue-Qiao; Mo, Zong-Wen; Liao, Pei-Qin; Sakiyama, Hiroshi; Han, Tian; Chen, Xiao-Ming; Zheng, Yan-Zhen","Cobalt(II) Magnetic Metal-Organic Framework with an Effective Kagomé Lattice, Large Surface Area, and High Spin-Canted Ordering Temperature.","ACS applied materials & interfaces","2017","9","44","38181","38186","10.1021/acsami.7b10757","","","0.71073","MoKα","","0.0819","0.0583","","","0.1658","0.1888","","","","","","1.128","","","","has coordinates","203916","2020-10-21","18:00:00",""
"5910027","5.67","","5.67","","5.67","","48.14","","48.14","","48.14","","92.66","","","","","","","","","","","","","3","R -3 c","","167","","","","- C Co O3 -","- C6 Co18 O36 -","- C6 Co18 O36 -","","","","Wyckoff, R. W. G.","Page 275 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/","The second edition of Structure of Crystals","1931","","","275","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910029","5.87","","5.87","","5.87","","47.36","","47.36","","47.36","","100.131","","","","","","","","","","","","","3","R -3 c","","167","","","","- C Mg O3 -","- C6 Mg18 O36 -","- C6 Mg18 O36 -","","","","Wyckoff, R. W. G.","Page 275 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/","The second edition of Structure of Crystals","1931","","","275","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910061","5.7","","5.7","","5.7","","48.6","","48.6","","48.6","","95.59","","","","","","","","","","","","","3","R -3 c","","167","","","","- C O3 Zn -","- C6 O36 Zn18 -","- C6 O36 Zn18 -","","","","Wyckoff, R. W. G.","Page 275 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://www.crystallography.net/","The second edition of Structure of Crystals","1931","","","275","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910089","5.841","","5.841","","5.841","","48.1","","48.1","","48.1","","101.164","","","","","","","","","","","","","3","R -3 c","","167","","","","- B In O3 -","- B6 In18 O36 -","- B6 In18 O36 -","","","","Wyckoff, R. W. G.","Page 54 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J. in 1935 & http://www.crystallography.net/","The second edition supplement of The Structure of Crystals","1935","","","54","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000181","5.7358","","5.7358","","46.849","","90","","90","","120","","1334.81","","","","","","","","","","","","","5","R -3 c","","","","","","- Al2 Ca4 Cl2 H20 O16 -","","","","","","Renaudin, G.; Kubel, F.; Rivera, J. P.; Francois, M.","Structural phase transition and high temperature phase structure of Friedels salt, 3CaO Al2O3 CaCl2 10H(2)O","Cement and Concrete Research","1999","29","","1937","1942","10.1016/S0008-8846(99)00199-4","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000371","9.3013","","9.3013","","11.1554","","90","","90","","120","","835.8","","","","","","","","","","","","","4","R -3 c","","","","","","- Ca3.75 Ir Ni0.25 O6 -","","","","","","Claridge, J. B.; Layland, R. C.; Henley, W. H.; zur Loye, H. C.","The structure, characterization, and magnetic properties of Ca4-xNixIrO6 (x = 0.25, 0.5)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","","1951","1955","10.1002/(SICI)1521-3749(1998120)624:12<1951::AID-ZAAC1951>3.0.CO;2-G","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000372","9.2723","","9.2723","","11.0825","","90","","90","","120","","825.17","","","","","","","","","","","","","4","R -3 c","","","","","","- Ca3.5 Ir Ni0.5 O6 -","","","","","","Claridge, J. B.; Layland, R. C.; Henley, W. H.; zur Loye, H. C.","The structure, characterization, and magnetic properties of Ca4-xNixIrO6 (x = 0.25, 0.5)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","","1951","1955","10.1002/(SICI)1521-3749(1998120)624:12<1951::AID-ZAAC1951>3.0.CO;2-G","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000420","9.7598","","9.7598","","11.3152","","90","","90","","120","","933.42","","","","","","","","","","","","","4","R -3 c","","","","","","- O6 Rh Sr3 Y -","","","","","","Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.","Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)","Journal of Solid State Chemistry","1998","139","","416","421","10.1006/jssc.1998.7877","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000421","9.6833","","9.6833","","11.0478","","90","","90","","120","","897.13","","","","","","","","","","","","","4","R -3 c","","","","","","- O6 Rh Sc Sr3 -","","","","","","Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.","Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)","Journal of Solid State Chemistry","1998","139","","416","421","10.1006/jssc.1998.7877","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000422","9.6473","","9.6473","","11.3597","","90","","90","","120","","915.61","","","","","","","","","","","","","0","R -3 c","","","","","","?","","","","","","Layland, R. C.; Kirkland, S. L.; Nunez, P.; zur Loye, H. C.","Synthesis and characterization of new Rh(III) compounds with the K4CdCl6 structure-type: Sr3MRhO6 (M = Y, Sc, In)","Journal of Solid State Chemistry","1998","139","","416","421","10.1006/jssc.1998.7877","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000452","8.69","","8.69","","82.27","","90","","90","","120","","5380.37","","","","","","","","","","","","","5","R -3 c","","","","","","- Al5 H30 K3 O44 P8 -","","","","","","Dick, S.; Zeiske, T.","Francoanellite K~3~Al~5~(HPO~4~)~6~(PO~4~)~2~ . 12H~2~O: Structure and Synthesis by Topochemical Dehydration of Taranakite","Zeitschrift für Naturforschung B","1998","53","7","711","719","","","","","","","","","","","","","","","","","","","","","","","174977","2020-10-21","18:00:00",""
"6000650","14.1714","","14.1714","","17.47","","90","","90","","120","","3038.43","","","","","","","","","","","","","3","R -3 c","","","","","","- I6 Rb4 Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000651","14.516","","14.516","","18.292","","90","","90","","120","","3338","","","","","","","","","","","","","3","R -3 c","","","","","","- Cs4 I6 Tm -","","","","","","Wang, S. H.; Wang, M. T.","Studies on divalent thulium ternary iodide","Gaodeng Xuexiao Huaxue Xuebao","1998","19","","335","339","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7016952","13.0537","0.0006","13.0537","0.0006","68.414","0.004","90","","90","","120","","10095.8","0.9","300","2","300","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C22 H24 Au Br N4 -","- C22 H24 Au Br N4 -","- C396 H432 Au18 Br18 N72 -","18","","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0502","0.0233","","","0.0405","0.0442","","","","","","0.797","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7028764","12.748","0.017","12.748","0.017","40.45","0.11","90","","90","","120","","5693","19","296","2","296","2","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C6 H30 Bi Br9 N12 S6 -","- C6 H30 Bi Br9 N12 S6 -","- C36 H180 Bi6 Br54 N72 S36 -","6","","","Li, Ming; Li, R. K.","Two new bismuth thiourea bromides: crystal structure, growth, and characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2577","2580","10.1039/c3dt52953c","","","0.71073","MoKα","","0.0648","0.0343","","","0.0706","0.0793","","","","","","0.97","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7037270","16.9135","0.0016","16.9135","0.0016","39.226","0.006","90","","90","","120","","9718","2","293","","293","","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- K21 O16 Te12 Tl3 -","- K21 O16 Te12 Tl3 -","- K126 O96 Te72 Tl18 -","6","","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0855","0.0583","","","0.134","0.1449","","","","","","0.892","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7038305","30.7421","0.0007","30.7421","0.0007","70.888","0.002","90","","90","","120","","58019","2","150","0.1","150","0.1","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C96 H108 Bi9 F45 N36 O53 S33 -","- C96 H108 Bi9 F45 N36 O53 S33 -","- C1152 H1296 Bi108 F540 N432 O636 S396 -","12","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0498","0.0391","","","0.0918","0.0975","","","","","","1.0456","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038837","13.1342","0.0003","13.1342","0.0003","72.139","0.002","90","","90","","120","","10777.3","0.5","150","0.1","150","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","tri(dmp-BIAN)Al","tri(N,N'-bis(3,5-dimethylphenylimino)acenaphthenesemiquinone) aluminum","","- C84 H72 Al N6 -","- C84 H72 Al N6 -","- C504 H432 Al6 N36 -","6","","","Zarkesh, Ryan A.; Ichimura, Andrew S.; Monson, Todd C.; Tomson, Neil C.; Anstey, Mitchell R.","Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9962","9969","10.1039/c6dt00422a","","","0.71073","MoKα","","0.0584","0.0487","","","0.1429","0.1499","","","","","","1.132","","","","has coordinates","185380","2020-10-21","18:00:00",""
"7038839","13.1548","0.0002","13.1548","0.0002","71.8546","0.0012","90","","90","","120","","10768.5","0.3","150.05","0.1","150.05","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","tri(dmp-BIAN)Cr","tri(N,N'-bis(3,5-dimethylphenylimino)acenaphthenesemiquinone) chromium","","- C84 H72 Cr N6 -","- C84 H72 Cr N6 -","- C504 H432 Cr6 N36 -","6","","","Zarkesh, Ryan A.; Ichimura, Andrew S.; Monson, Todd C.; Tomson, Neil C.; Anstey, Mitchell R.","Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9962","9969","10.1039/c6dt00422a","","","0.71073","MoKα","","0.0432","0.0405","","","0.1253","0.1279","","","","","","1.064","","","","has coordinates","185380","2020-10-21","18:00:00",""
"7038841","13.1696","0.0002","13.1696","0.0002","72.1013","0.0015","90","","90","","120","","10829.8","0.3","151","2","151","2","","","","","","","","4","R -3 c","-R 3 2""c","167","tri(dmp-BIAN)Ga","tri(N,N'-bis(3,5-dimethylphenylimino)acenaphthenesemiquinone) gallium","","- C84 H72 Ga N6 -","- C84 H72 Ga N6 -","- C504 H432 Ga6 N36 -","6","","","Zarkesh, Ryan A.; Ichimura, Andrew S.; Monson, Todd C.; Tomson, Neil C.; Anstey, Mitchell R.","Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9962","9969","10.1039/c6dt00422a","","","0.71073","MoKα","","0.0438","0.0383","","","0.1157","0.1192","","","","","","1.119","","","","has coordinates","185380","2020-10-21","18:00:00",""
"7040405","12.1875","0.0009","12.1875","0.0009","12.3911","0.001","90","","90","","120","","1593.9","0.2","296","2","296.15","","101.325","","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.41 -","- Sb30 Zn38.412 -","- Sb30 Zn38.412 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0315","0.0273","","","0.0638","0.0664","","","","","","1.117","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040406","12.0979","0.0008","12.0979","0.0008","12.3097","0.0015","90","","90","","120","","1560.3","0.2","296","2","296.15","","1040000","20000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0567","0.0402","","","0.0855","0.0915","","","","","","1.119","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040407","12.0329","0.0012","12.0329","0.0012","12.268","0.002","90","","90","","120","","1538.3","0.3","296","2","296.15","","1810000","30000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.43 -","- Sb30 Zn38.43 -","- Sb30 Zn38.43 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0508","0.0336","","","0.0672","0.0724","","","","","","1.068","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040408","11.9765","0.0013","11.9765","0.0013","12.218","0.003","90","","90","","120","","1517.7","0.4","296","2","296.15","","2730000","50000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0601","0.0361","","","0.1037","0.1136","","","","","","1.095","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040409","11.9413","0.0012","11.9413","0.0012","12.196","0.002","90","","90","","120","","1506.1","0.3","296","2","296.15","","3310000","50000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.48 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0697","0.0394","","","0.0743","0.0854","","","","","","1.124","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040410","11.8545","0.0012","11.8545","0.0012","12.125","0.002","90","","90","","120","","1475.6","0.3","296","2","296.15","","4780000","70000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0755","0.0423","","","0.0793","0.0888","","","","","","1.137","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040411","11.7644","0.0012","11.7644","0.0012","12.058","0.002","90","","90","","120","","1445.3","0.3","296","2","296.15","","6340000","100000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0646","0.0447","","","0.0796","0.0838","","","","","","1.126","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040412","11.7293","0.0014","11.7293","0.0014","12.029","0.003","90","","90","","120","","1433.2","0.4","296","2","296.15","","7020000","110000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.48 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0835","0.0469","","","0.1051","0.1116","","","","","","1.045","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040413","11.6998","0.0012","11.6998","0.0012","12.005","0.002","90","","90","","120","","1423.1","0.3","296","2","296.15","","7590000","120000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.48 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0528","0.0362","","","0.0765","0.0811","","","","","","1.247","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040414","11.6736","0.0014","11.6736","0.0014","11.989","0.003","90","","90","","120","","1414.9","0.4","296","2","296.15","","8130000","120000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.48 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0689","0.0531","","","0.1639","0.2215","","","","","","1.26","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040415","11.6523","0.0013","11.6523","0.0013","11.972","0.003","90","","90","","120","","1407.7","0.4","296","2","296.15","","8470000","130000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0605","0.0436","","","0.0878","0.1034","","","","","","1.287","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040416","11.6305","0.0013","11.6305","0.0013","11.956","0.002","90","","90","","120","","1400.6","0.3","296","2","296.15","","8890000","140000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.41 -","- Sb30 Zn38.412 -","- Sb30 Zn38.412 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0688","0.0519","","","0.1458","0.1557","","","","","","1.282","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040417","11.655","0.002","11.655","0.002","11.975","0.005","90","","90","","120","","1408.7","0.7","296","2","296.15","","7450000","130000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.34 -","- Sb30 Zn38.34 -","- Sb30 Zn38.34 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0788","0.056","","","0.1388","0.1998","","","","","","1.325","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040418","11.672","0.0013","11.672","0.0013","11.993","0.002","90","","90","","120","","1415","0.3","296","2","296.15","","7690000","140000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.41 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0761","0.0576","","","0.1278","0.179","","","","","","1.276","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040419","11.6306","0.0014","11.6306","0.0014","11.957","0.003","90","","90","","120","","1400.7","0.4","296","2","296.15","","8690000","130000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.59 -","- Sb30 Zn38.592 -","- Sb30 Zn38.592 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0762","0.0566","","","0.1128","0.163","","","","","","1.251","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040420","11.5954","0.0013","11.5954","0.0013","11.926","0.003","90","","90","","120","","1388.7","0.4","296","2","296.15","","9510000","150000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0521","0.0415","","","0.0853","0.0874","","","","","","1.268","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040421","11.583","0.003","11.583","0.003","11.948","0.006","90","","90","","120","","1388.3","0.9","296","2","296.15","","10190000","160000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0942","0.0874","","","0.2484","0.254","","","","","","1.296","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040422","12.2036","0.0018","12.2036","0.0018","12.38","0.002","90","","90","","120","","1596.7","0.4","296","2","296.15","","101.325","","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.38 -","- Sb30 Zn38.412 -","- Sb30 Zn38.412 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.041","0.031","","","0.0632","0.0689","","","","","","1.194","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040423","12.2236","0.0016","12.2236","0.0016","12.4338","0.0018","90","","90","","120","","1608.9","0.4","296","2","296.15","","70000","10000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.43 -","- Sb30 Zn38.376 -","- Sb30 Zn38.376 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0659","0.0523","","","0.1101","0.1165","","","","","","1.099","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040424","12.1567","0.0013","12.1567","0.0013","12.3689","0.0013","90","","90","","120","","1583","0.3","296","2","296.15","","800000","20000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.38 -","- Sb30 Zn38.376 -","- Sb30 Zn38.376 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0541","0.0283","","","0.0489","0.0557","","","","","","0.995","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040425","12.1314","0.0012","12.1314","0.0012","12.3509","0.0013","90","","90","","120","","1574.2","0.3","296","2","296.15","","1120000","20000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.42 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0523","0.0309","","","0.0555","0.0612","","","","","","1.026","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040426","12.115","0.0014","12.115","0.0014","12.338","0.0015","90","","90","","120","","1568.3","0.3","296","2","296.15","","1490000","30000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.44 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0673","0.0401","","","0.078","0.0874","","","","","","1.057","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040427","12.083","0.0015","12.083","0.0015","12.3094","0.0015","90","","90","","120","","1556.4","0.3","296","2","296.15","","1840000","30000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.412 -","- Sb30 Zn38.412 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.116","0.0771","","","0.1963","0.238","","","","","","1.001","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040428","12.0867","0.0014","12.0867","0.0014","12.3073","0.0015","90","","90","","120","","1557.1","0.3","296","2","296.15","","1970000","30000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0733","0.044","","","0.0956","0.1096","","","","","","1.031","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040429","12.0695","0.0016","12.0695","0.0016","12.2935","0.0018","90","","90","","120","","1550.9","0.4","296","2","296.15","","2450000","40000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0761","0.0458","","","0.0956","0.106","","","","","","1.065","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040430","11.9732","0.0018","11.9732","0.0018","12.2314","0.0019","90","","90","","120","","1518.5","0.4","296","2","296.15","","3880000","60000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.44 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.1152","0.0841","","","0.2044","0.2229","","","","","","1.121","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040431","11.9212","0.0014","11.9212","0.0014","12.1862","0.0017","90","","90","","120","","1499.8","0.3","296","2","296.15","","4170000","60000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.46 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0712","0.0538","","","0.1252","0.1342","","","","","","1.125","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040432","11.9197","0.0017","11.9197","0.0017","12.186","0.002","90","","90","","120","","1499.4","0.4","296","2","296.15","","4310000","70000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.46 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0741","0.0583","","","0.1443","0.1544","","","","","","1.087","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040433","11.8767","0.0019","11.8767","0.0019","12.155","0.002","90","","90","","120","","1484.8","0.4","296","2","296.15","","5180000","80000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0894","0.0711","","","0.1761","0.1852","","","","","","1.176","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040434","11.8464","0.0018","11.8464","0.0018","12.132","0.002","90","","90","","120","","1474.5","0.4","296","2","296.15","","6030000","90000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0966","0.0753","","","0.2025","0.216","","","","","","1.228","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7041260","34.4795","0.0017","34.4795","0.0017","31.634","0.004","90","","90","","120","","32569","5","296","2","293","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C212 H159 In6 N O78 Ti12 -","- C212 H159 In6 N O78 Ti12 -","- C1272 H954 In36 N6 O468 Ti72 -","6","","","Liu, Shengjun; Hu, Wei; Nath, Jayanta Kr; Tong, Jing; Hou, Xudong; Liu, Wenlong; Yang, Jinlong; Liu, Bo","[Ti12In6O18(OOCC6H5)30]: a multifunctional hetero-polyoxotitanate nanocluster with high stability and visible photoactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","678","684","10.1039/c6dt04261a","","","0.71073","MoKα","","0.0824","0.0448","","","0.1254","0.1576","","","","","","1.119","","","","has coordinates,has disorder","191637","2020-10-21","18:00:00",""
"7041618","18.2595","0.001","18.2595","0.001","38.7419","0.0016","90","","90","","120","","11186.4","1","296","2","296.15","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C63 H39 Cu3 Mo8 N12 O32 -","- C63 H39 Cu3 Mo7.9998 N12 O31.9998 -","- C378 H234 Cu18 Mo47.9988 N72 O191.999 -","6","","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Hui-Xiu","Three novel and various isopolymolybdate-based hybrids built from the carboxyl oxygen atoms of in situ ligands: substituent-tuned assembly, architectures and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1965","1974","10.1039/c6dt04185j","","","0.71073","MoKα","","0.0547","0.0402","","","0.1064","0.1155","","","","","","1.045","","","","has coordinates,has disorder","193797","2020-10-21","18:00:00",""
"7041683","16.352","0.003","16.352","0.003","10.8897","0.0016","90","","90","","120","","2521.7","0.8","100","2","100","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C15 H21 Fe Li O6 -","- C15 H21 Fe Li O6 -","- C90 H126 Fe6 Li6 O36 -","6","","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Filatov, Alexander S.; Dikarev, Evgeny V.","Heterometallic molecular precursors for a lithium-iron oxide material: synthesis, solid state structure, solution and gas-phase behaviour, and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5644","5649","10.1039/c6dt04602a","","","0.71073","MoKα","","0.0328","0.0255","","","0.0609","0.0634","","","","","","1.073","","","","has coordinates","196398","2020-10-21","18:00:00",""
"7043202","22.345","0.0009","22.345","0.0009","34.5488","0.0015","90","","90","","120","","14939.1","1.1","296.15","","296.15","","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C18 H24 Ag3 As Mo9 N12 O31 -","- C18 H24 Ag3 As Mo9 N12 O31 -","- C216 H288 Ag36 As12 Mo108 N144 O372 -","12","","","Cong, Bo-Wen; Su, Zhan-Hua; Zhao, Zhi-Feng; Yu, Bao-Yi; Zhao, Wen-Qi; Ma, Xiu-Juan","Two unusual 3D honeycomb networks based on Wells‒Dawson arsenomolybdates with d10 transition-metal-pyrazole connectors","Dalton Trans.","2017","","","","","10.1039/C7DT01240C","","","0.71073","MoKα","","0.0534","0.0323","","","0.0638","0.0734","","","","","","1.026","","","","has coordinates,has disorder","197190","2020-10-21","18:00:00",""
"7043203","22.1967","0.0008","22.1967","0.0008","34.78","0.003","90","","90","","120","","14840.1","1.5","296","2","296.15","","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C18 H24 As Cu3 Mo9 N12 O31 -","- C18 H24 As Cu3 Mo9 N12 O31 -","- C216 H288 As12 Cu36 Mo108 N144 O372 -","12","","","Cong, Bo-Wen; Su, Zhan-Hua; Zhao, Zhi-Feng; Yu, Bao-Yi; Zhao, Wen-Qi; Ma, Xiu-Juan","Two unusual 3D honeycomb networks based on Wells‒Dawson arsenomolybdates with d10 transition-metal-pyrazole connectors","Dalton Trans.","2017","","","","","10.1039/C7DT01240C","","","0.71073","MoKα","","0.0647","0.0381","","","0.0774","0.0961","","","","","","1.137","","","","has coordinates,has disorder","197190","2020-10-21","18:00:00",""
"7119453","23.7002","0.0005","23.7002","0.0005","49.407","0.003","90","","90","","120","","24033.8","1.6","102","3","102","3","","","","","","","","9","R -3 c","-R 3 2""c","167","","","","- C121 H102 Ag2 Au6 B4 F16 N12 O12 P6 -","- C125.5 H84 Ag2 Au6 N15 O12 P6 -","- C753 H504 Ag12 Au36 N90 O72 P36 -","6","","","Liu, Xiao-Yun; Yang, Yang; Lei, Zhen; Guan, Zong-Jie; Wang, Quan-Ming","Luminescence responsive intracluster rearrangements of gold(I)-silver(I) clusters triggered by acetonitrile","Chemical Communications (Cambridge, United Kingdom)","2016","52","51","8022","8025","10.1039/c6cc02873j","","","1.54178","CuKα","","0.0695","0.0568","","","0.1531","0.1696","","","","","","1.074","","","","has coordinates","209520","2020-10-21","18:00:00",""
"7119743","10.866","0.0017","10.866","0.0017","43.37","0.03","90","","90","","120","","4435","3","298","2","298","2","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C62 H81 N12 O13 -","- C62 H81 N12 O13 -","- C186 H243 N36 O39 -","3","","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","1.54184","CuKα","","0.1596","0.1098","","","0.2678","0.3043","","","","","","1.078","","","","has coordinates,has disorder","194967","2020-10-21","18:00:00",""
"7120019","36.9553","0.0007","36.9553","0.0007","119.924","0.003","90","","90","","120","","141837","5","99.97","0.1","99.97","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C382.5 H444 N24 O48 -","- C382.5 H444 N24 O48 -","- C4590 H5328 N288 O576 -","12","","","Wierzbicki, M.; Głowacka, A A; Szymański, M P; Szumna, A.","A chiral member of the family of organic hexameric cages.","Chemical communications (Cambridge, England)","2017","53","37","5200","5203","10.1039/c7cc02245j","","x-ray","1.54184","CuKα","","0.1497","0.0829","","","0.2383","0.2595","","","","","","0.864","","","","has coordinates,has disorder","196265","2020-10-21","18:00:00",""
"7120897","40.2486","0.0011","40.2486","0.0011","95.357","0.002","90","","90","","120","","133778","6","150","2","150","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C216 H180 Au70 P12 S20 -","- C216 H180 Au70 P12 S20 -","- C3888 H3240 Au1260 P216 S360 -","18","","","Schnepf, Andreas; Schrenk, Claudio; Häkkinen, Hannu; Frojd, Andrew R.; Kenzler, Sebastian Ignaz Joachim; Clayborne, Andre","Au70S20(PPh3)12: An intermediate sized metalloid gold cluster stabilized by the Au4S4 ring motif and Au-PPh3 groups","Chemical Communications","2017","","","","","10.1039/C7CC08014J","","x-ray","0.8","synchrotron","","0.1271","0.0931","","","0.1901","0.2245","","","","","","1.204","","","","has coordinates,has disorder","203563","2020-10-21","18:00:00",""
"7121807","18.232","0.001","18.232","0.001","45.607","0.003","90","","90","","120","","13129","1.3","100","0.1","100","0.1","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C56.5 H59 N9.5 O36.75 Tb6 -","- C56.496 H52.484 N9.996 O36.75 Tb6 -","- C338.976 H314.904 N59.976 O220.5 Tb36 -","6","","","Xue, Dong-Xu; Cadiau, Amandine; Weseliński, Łukasz J.; Jiang, Hao; Bhatt, Prashant M.; Shkurenko, Aleksander; Wojtas, Lukasz; Zhijie, Chen; Belmabkhout, Youssef; Adil, Karim; Eddaoudi, Mohamed","Topology meets MOF chemistry for pore-aperture fine tuning: ftw-MOF platform for energy-efficient separations via adsorption kinetics or molecular sieving","Chemical Communications","2018","","","","","10.1039/C8CC03841D","","","1.54178","CuKα","","0.0513","0.0433","","","0.1154","0.1187","","","","","","1.118","","","","has coordinates,has disorder","208150","2020-10-21","18:00:00",""
"7219220","27.5068","0.0012","27.5068","0.0012","24.343","0.002","90","","90","","120","","15950.9","1.6","296","2","296","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C26 H28 Cd N10 O10 -","- C26 H24 Cd N10 O8 -","- C468 H432 Cd18 N180 O144 -","18","","","Frontera, Antonio; Banik, Rupak; Roy, Subhadip; Bauza, Antonio; Das, Subrata","Cadmium(II) complexes containing N,N´-dimethylvioluric acid as ligand or counteranion: Synthesis, characterization, crystal structures and DFT study","RSC Adv.","2015","","","","","10.1039/C4RA10251G","","","0.71073","MoKα","","0.0672","0.0368","","","0.0856","0.1045","","","","","","1.113","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7223983","27.3444","0.0008","27.3444","0.0008","71.115","0.002","90","","90","","120","","46050","2","150","2","150.15","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C72 H43 Co3 N30 O -","- C72 H43 Co3 N30 O -","- C864 H516 Co36 N360 O12 -","12","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.1062","0.0727","","","0.2478","0.2902","","","","","","1.031","","","","has coordinates,has disorder","185174","2020-10-21","18:00:00",""
"7227412","26.047","0.0011","26.047","0.0011","41.751","0.002","90","","90","","120","","24530.9","1.9","150","2","150","","","","","","","","","8","R -3 c","-R 3 2""c","167","","","","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C864 H648 Ag36 B30 F120 N144 O36 S72 -","6","","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0983","0.0547","","","0.1432","0.1697","","","","","","1.0586","","","","has coordinates","193771","2020-10-21","18:00:00",""
"7230759","8.26613","0.00019","8.26613","0.00019","22.2627","0.0003","90","","90","","120","","1317.39","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0327","0.0285","","","0.0703","0.0759","","","","","","1.262","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230760","8.2046","0.0002","8.2046","0.0002","21.6892","0.0003","90","","90","","120","","1264.41","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0426","0.0369","","","0.0896","0.0973","","","","","","1.213","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230765","8.1738","0.0004","8.1738","0.0004","21.4104","0.0006","90","","90","","120","","1238.81","0.09","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0509","0.041","","","0.0982","0.1137","","","","","","1.24","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230770","8.25785","0.00019","8.25785","0.00019","22.5102","0.0006","90","","90","","120","","1329.36","0.06","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.4109","synchrotron","","0.0498","0.0394","","","0.1092","0.1239","","","","","","1.209","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230771","8.31888","0.00017","8.31888","0.00017","22.8731","0.0003","90","","90","","120","","1370.84","0.04","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0329","0.0277","","","0.0687","0.0758","","","","","","1.192","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230773","8.0626","0.0004","8.0626","0.0004","21.3349","0.0011","90","","90","","120","","1201.08","0.1","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0543","0.0433","","","0.0995","0.1118","","","","","","1.143","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230774","8.1069","0.0002","8.1069","0.0002","21.6257","0.0008","90","","90","","120","","1230.87","0.06","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0407","0.0351","","","0.0793","0.0863","","","","","","1.211","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230775","7.9888","0.001","7.9888","0.001","20.926","0.002","90","","90","","120","","1156.6","0.2","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0737","0.0549","","","0.1345","0.1556","","","","","","1.106","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230777","8.0225","0.0006","8.0225","0.0006","21.1076","0.0016","90","","90","","120","","1176.49","0.15","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0648","0.0522","","","0.1165","0.1288","","","","","","1.123","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230778","7.9495","0.0007","7.9495","0.0007","20.5428","0.0013","90","","90","","120","","1124.27","0.16","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0601","0.0475","","","0.115","0.1301","","","","","","1.122","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230779","8.30764","0.00016","8.30764","0.00016","22.6507","0.0003","90","","90","","120","","1353.84","0.04","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0331","0.0281","","","0.0718","0.0794","","","","","","1.137","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230780","8.17987","0.00018","8.17987","0.00018","22.0315","0.0006","90","","90","","120","","1276.64","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0405","0.0351","","","0.0818","0.0894","","","","","","1.183","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230781","7.9763","0.0006","7.9763","0.0006","20.6525","0.0012","90","","90","","120","","1137.91","0.14","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.051","0.0421","","","0.0998","0.1098","","","","","","1.093","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230784","7.9947","0.0002","7.9947","0.0002","20.7241","0.0005","90","","90","","120","","1147.12","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0419","0.0377","","","0.103","0.1074","","","","","","1.198","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7231688","17.8928","0.0005","17.8928","0.0005","69.099","0.002","90","","90","","120","","19158.4","0.9","290.83","0.1","290.83","0.1","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C114 H126 N24 Nd4 O42 Zn3 -","- C114 H126 N24 Nd4 O42 Zn3 -","- C684 H756 N144 Nd24 O252 Zn18 -","6","","","Wang, Li; Zhang, Ruilian; Han, Qing-Xin; Xu, Cong; Chen, Wan-Min; Yang, Huan; Gao, Guoshu; Qin, Wenwu; Liu, Wei-Sheng","Amide-functionalized heterometallic helicate cages as highly efficient catalysts for CO2 conversion under mild condition","Green Chemistry","2018","","","","","10.1039/C8GC02645A","","x-ray","0.71073","MoKα","","0.1179","0.0489","","","0.0974","0.1245","","","","","","1.007","","","","has coordinates","211611","2020-10-21","18:00:00",""
"7231689","17.8497","0.0005","17.8497","0.0005","68.762","0.002","90","","90","","120","","18973.2","0.9","290.83","0.1","290.83","0.1","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C114 H126 Eu4 N24 O42 Zn3 -","- C114 H126 Eu4 N24 O42 Zn3 -","- C684 H756 Eu24 N144 O252 Zn18 -","6","","","Wang, Li; Zhang, Ruilian; Han, Qing-Xin; Xu, Cong; Chen, Wan-Min; Yang, Huan; Gao, Guoshu; Qin, Wenwu; Liu, Wei-Sheng","Amide-functionalized heterometallic helicate cages as highly efficient catalysts for CO2 conversion under mild condition","Green Chemistry","2018","","","","","10.1039/C8GC02645A","","x-ray","0.71","MoKα","","0.0825","0.042","","","0.0829","0.1021","","","","","","1.033","","","","has coordinates","211611","2020-10-21","18:00:00",""