# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-06T08:55:47+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 41/a m d' 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
"1544413","3.8065","0.0002","3.8065","0.0002","9.6733","0.0008","90","","90","","90","","140.161","0.016","","","","","","","","","","","","3","I 41/a m d","I 4bw 2bw -1bw","141","Ti0.85Sn0.15O2","","","- O2 Sn0.15 Ti0.85 -","- O2 Sn0.15 Ti0.85 -","- O8 Sn0.6 Ti3.4 -","4","","","Yamane, H.; Young, B.-C.; Hirai, T.","Crystal structure of anatase-type TiO2-SnO2 solid solution prepared by CVD","Journal of the Ceramic Society of Japan","1992","100","","1473","1474","","","","","","","","","","","","","","","","","","","","","","has coordinates","187689","2020-10-21","18:00:00",""
"1549839","15.5897","0.0004","15.5897","0.0004","45.3118","0.0012","90","","90","","90","","11012.5","0.5","100","0.1","100","0.1","","","","","","","","5","I 41/a m d","-I 4bd 2","141","neisc52","","","- C52 H56 F6 Fe4 O4 -","- C52 H55.498 F6 Fe4 O4 -","- C416 H443.984 F48 Fe32 O32 -","8","","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","x-ray","0.71073","MoKα","","0.0755","0.0626","","","0.1906","0.2041","","","","","","1.049","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1550668","40.4997","0.0004","40.4997","0.0004","16.9534","0.0004","90","","90","","90","","27807.4","0.8","173","2","173","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C24 H13 B3 Hf3 O20 -","- C24 H13 B3 Hf3 O20 -","- C384 H208 B48 Hf48 O320 -","16","","","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","","0.0673","0.0593","","","0.1742","0.1842","","","","","","1.074","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550671","40.5746","0.0008","40.5746","0.0008","17.0198","0.0004","90","","90","","90","","28019.7","1","173","0.1","173","0.1","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C24 H13 B3 O20 Zr3 -","- C24 H13 B3 O20 Zr3 -","- C384 H208 B48 O320 Zr48 -","16","","","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","","0.1378","0.1028","","","0.2872","0.3466","","","","","","1.158","","","","has coordinates","213903","2020-10-21","18:00:00",""
"2003934","4.233","0.001","4.233","0.001","31.039","0.009","90","","90","","90","","556.2","0.2","293","2","293","2","","","","","","","Palenzona & Manfrinetti (1995)","2","I 41/a m d","-I 4bd 2","","","","","- Sc Sn2 -","- Sc Sn2 -","- Sc8 Sn16 -","8","","NA1161","Pani, M.; Manfrinetti, P.; Fornasini, M. L.","Two New Scandium Phases: ScSn~2~ and Sc~6~Pb~5~","Acta Crystallographica Section C","1995","51","9","1725","1728","10.1107/S0108270195003301","","","0.7107","MoKα","","0.078","0.065","","0.125","0.124","","","","4.57","5.6","5.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"4345844","6.38972","0.00016","6.38972","0.00016","12.7872","0.0011","90","","90","","90","","522.08","0.05","293","2","293","2","","","","","","","","3","I 41/a m d","-I 4bd 2","141","","","","- Au2 Ba S2 -","- Au2 Ba S2 -","- Au8 Ba4 S8 -","4","","","Zhou, Molin; Jiang, Xin; Jiang, Xingxing; Xiao, Ke; Guo, Yangwu; Huang, Hongwei; Lin, Zheshuai; Yao, Jiyong; Tung, Chen-Ho; Wu, Li-Zhu; Wu, Yicheng","BaAu2S2: A Au-Based Intrinsic Photocatalyst for High-Performance Visible-Light Photocatalysis.","Inorganic chemistry","2017","56","9","5173","5181","10.1021/acs.inorgchem.7b00319","","","0.7107","MoKα","","0.0338","0.0313","","","0.0769","0.0789","","","","","","1.362","","","","has coordinates","196003","2020-10-21","18:00:00",""
"6000002","7.248","","7.248","","6.3778","","90","","90","","90","","335.05","","","","","","","","","","","","","3","I 41/a m d","","","","","","- Eu O4 V -","","","","","","Christensen, A. N.; Hazell, R. G.; Hewat, A. W.","Synthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites","Acta Chemica Scandinavica","1997","51","1","37","43","10.3891/acta.chem.scand.51-0037","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000227","7.208","","7.208","","10.198","","90","","90","","90","","529.84","","","","","","","","","","","","","3","I 41/a m d","","","","","","- O7 Sm2 Ti2 -","","","","","","Rabanal, M. E.; Varez, A.; Amador, U.; Dompablo, E. A. Y.; Garcia-Alvarado, F.","Structure and reaction with lithium of tetragonal pyrochlore-like compound Sm~2~Ti~2~O~7~","Journal of Materials Processing Technology","1999","","","529","533","10.1016/S0924-0136(99)00211-3","","","","","","","","","","","","","","","","","","","","","","174853","2020-10-21","18:00:00",""
"6000279","14.4948","","14.4948","","9.3173","","90","","90","","90","","1957.56","","","","","","","","","","","","","3","I 41/a m d","","","","","","- Bi2 Cd O4 -","","","","","","Kirik, S. D.; Shimanskiy, A. F.; Koryagina, T. I.","Crystal structure investigation and conductivity of binary bismuth-cadmium oxide Bi2CdO4","Solid State Ionics","1999","122","","249","254","10.1016/S0167-2738(98)00444-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000302","4.1129","","4.1129","","13.906","","90","","90","","90","","235.23","","","","","","","","","","","","","3","I 41/a m d","","","","","","- Ga0.88 Ge1.12 Tb -","","","","","","Fedorchuk, A. A.; Dol'nikova, T. V.","Crystal structure of TbGe1.12-1.48Ga0.88-0.52","Inorganic Materials","1999","35","","468","470","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000312","6.1707","","6.1707","","7.9183","","90","","90","","90","","301.51","","","","298.15","","","","","","","","","3","I 41/a m d","","","","","","- Cu O4 Rh2 -","","","","","","Ismunandar; Kennedy, B. J.; Hunter, B. A.","Phase transformation in CuRh2O4: a powder neutron diffraction study","Materials Research Bulletin","1999","34","","135","143","10.1016/S0025-5408(98)00201-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000397","6.914","","6.914","","17.246","","90","","90","","90","","824.42","","","","","","","","","","","","","4","I 41/a m d","","","","","","- H5 Ho O10 S2 -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000398","6.8967","","6.8967","","17.166","","90","","90","","90","","816.49","","","","","","","","","","","","","4","I 41/a m d","","","","","","- Er H5 O10 S2 -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000399","6.8875","","6.8875","","17.159","","90","","90","","90","","813.98","","","","","","","","","","","","","4","I 41/a m d","","","","","","- H5 O10 S2 Y -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000716","14.493","","14.493","","9.317","","90","","90","","90","","1957.01","","","","","","","","","","","","","3","I 41/a m d","","","","","","- Bi2 Cd O4 -","","","","","","Champarnaudmesjard, J. C.; Frit, B.; Aftati, A.; Elfarissi, M.","Crystal-structure of Bi2CdO4","European Journal of Solid State and Inorganic Chemistry","1994","31","","473","486","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7041020","20.2282","0.0006","20.2282","0.0006","13.8297","0.0008","90","","90","","90","","5658.8","0.4","296","2","296","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C56 H56 Fe2 N16 O8 W -","- C56 H56 Fe2 N16 O8 W -","- C224 H224 Fe8 N64 O32 W4 -","4","","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.0316","0.0306","","","0.0741","0.0747","","","","","","1.061","","","","has coordinates","190118","2020-10-21","18:00:00",""
"7041023","20.173","0.002","20.173","0.002","14.554","0.003","90","","90","","90","","5922.7","1.5","296","2","296","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C56 H56 Fe2 N16 O8 W -","- C56 H24 Fe2 N16 O8 W -","- C224 H96 Fe8 N64 O32 W4 -","4","","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.1357","0.0967","","","0.2366","0.2808","","","","","","1.171","","","","has coordinates","190118","2020-10-21","18:00:00",""
"7043892","19.387","0.004","19.387","0.004","60.831","0.013","90","","90","","90","","22864","8","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C85 H119 Cu3 N15 O26 -","- C46 H28 Cu3 N2 O13 -","- C368 H224 Cu24 N16 O104 -","8","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.1351","0.0599","","","0.1217","0.137","","","","","","1.029","","","","has coordinates,has disorder","199484","2020-10-21","18:00:00",""
"7043893","19.627","0.002","19.627","","60.175","0.006","90","","90","","90","","23181","3","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C152 H184 Cu6 N20 O50 -","- C104 H72 Cu6 N4 O34 -","- C416 H288 Cu24 N16 O136 -","4","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.1318","0.0738","","","0.1863","0.2157","","","","","","1.12","","","","has coordinates,has disorder","199484","2020-10-21","18:00:00",""
"7043894","20.009","0.001","20.009","","59.029","0.007","90","","90","","90","","23633","3","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C78 H112 Cu3 N12 O27 -","- C42 H28 Cu3 O15 -","- C336 H224 Cu24 O120 -","8","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.1232","0.0643","","","0.2132","0.2414","","","","","","1.106","","","","has coordinates","199484","2020-10-21","18:00:00",""
"7043895","19.73","0.004","19.73","0.004","60.06","0.01","90","","90","","90","","23380","8","296","2","296","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C86 H114 Cu3 N14 O25 -","- C50 H30 Cu3 N2 O13 -","- C400 H240 Cu24 N16 O104 -","8","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.0768","0.0417","","","0.1334","0.1468","","","","","","1.02","","","","has coordinates","199484","2020-10-21","18:00:00",""
"7043896","19.511","0.002","19.511","0.002","60.34","0.007","90","","90","","90","","22970","4","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C168 H232 Cu6 N28 O50 -","- C96 H64 Cu6 N4 O26 -","- C384 H256 Cu24 N16 O104 -","4","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.1168","0.0737","","","0.2229","0.2569","","","","","","1.031","","","","has coordinates,has disorder","199484","2020-10-21","18:00:00",""
"7043897","19.525","0.005","19.525","","60.38","0.02","90","","90","","90","","23018","10","293","2","293","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C164 H226 Cu6 N30 O50 -","- C92 H58 Cu6 N6 O26 -","- C368 H232 Cu24 N24 O104 -","4","","","Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin","Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange","Dalton Trans.","2017","","","","","10.1039/C7DT02231J","","","0.71073","MoKα","","0.0983","0.0561","","","0.1542","0.1613","","","","","","1.006","","","","has coordinates,has disorder","199484","2020-10-21","18:00:00",""
"7045445","18.092","0.0019","18.092","0.0019","17.592","0.004","90","","90","","90","","5758.2","1.6","298","2","298","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C36 H40 Cl8 N4 O18 Ti4 -","- C36 H40 Cl8 N4 O18 Ti4 -","- C144 H160 Cl32 N16 O72 Ti16 -","4","","","Tong, Jing; Xu, Tingting; Liu, Shengjun; Zhang, Junxiang; Hou, Xudong; Liu, Bo","Cascade Covalent and Coordination Bonds Formation for Ti-Based Cage Assembly: Catalysis and Coordination Bi-functions of TiCl4","Dalton Transactions","2018","","","","","10.1039/C7DT04367H","","","0.71073","MoKα","","0.1243","0.0739","","","0.2008","0.2291","","","","","","1.005","","","","has coordinates,has disorder","205866","2020-10-21","18:00:00",""
"7047327","7.2721","0.001","7.2721","0.001","23.668","0.004","90","","90","","90","","1251.6","0.3","173","2","173","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","Tetramethylammonium uranyl oxyfluoride","","","- C4 H12 F5 N O4 U2 -","- C4 H12 F5 N O4 U2 -","- C16 H48 F20 N4 O16 U8 -","4","","","Yue, Zenghui; Lin, Jian; Silver, Mark Andrew; Han, Ling; Li, Xiaoyun; Zhou, Jing; Guo, Xiaojing; Bao, Hong-liang; Huang, Yuying; Wang, Jian-Qiang","Anionic Uranyl Oxyfluorides as a Bifunctional Platform for Highly Selective Ion-Exchange and Photocatalytic Degradation of Organic Dyes","Dalton Transactions","2018","","","","","10.1039/C8DT02309C","","","0.71073","MoKα","","0.0404","0.0302","","","0.0661","0.0697","","","","","","1.086","","","","has coordinates","210040","2020-10-21","18:00:00",""
"7117613","29.5862","0.001","29.5862","0.001","3.4563","0.0002","90","","90","","90","","3025.4","0.2","293","2","293","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C8 H25 Ag6 Cl N16 O7 -","- C8 H25 Ag6 Cl N16 O7 -","- C32 H100 Ag24 Cl4 N64 O28 -","4","","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.0543","0.0488","","","0.0967","0.1002","","","","","","1.033","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117615","29.415","0.003","29.415","0.003","3.525","0.0004","90","","90","","90","","3050","0.6","293","2","293","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C12 H29 Ag6 Cl N12 O7 -","- C12 H29 Ag6 Cl N12 O7 -","- C48 H116 Ag24 Cl4 N48 O28 -","4","","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.0408","0.0341","","","0.0914","0.0969","","","","","","1.059","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117617","29.6337","0.0016","29.6337","0.0016","3.4913","0.0002","90","","90","","90","","3065.9","0.3","293","2","293","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C8 H25 Ag6 Br N16 O7 -","- C8 H26 Ag6 Br N16 O7 -","- C32 H104 Ag24 Br4 N64 O28 -","4","","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.0335","0.0318","","","0.0926","0.0941","","","","","","1.058","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117619","29.419","0.002","29.419","0.002","3.5564","0.0004","90","","90","","90","","3078","0.5","293","2","293","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C12 H29 Ag6 Br N12 O7 -","- C12 H29 Ag6 Br N12 O7 -","- C48 H116 Ag24 Br4 N48 O28 -","4","","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.1573","0.0942","","","0.2003","0.2405","","","","","","1.069","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7118122","21.384","0.003","21.384","0.003","38.507","0.006","90","","90","","90","","17608","4","296","2","296","2","","","","","","","","7","I 41/a m d","-I 4bd 2","141","","","","- C80 H76 Dy4 F12 N28 O44 S4 -","- C80 H52 Dy4 F12 N28 O44 S4 -","- C320 H208 Dy16 F48 N112 O176 S16 -","4","","","Jianfeng Wu; Lang Zhao; Mei Guo; Jinkui Tang","Constructing supramolecular grids: from 4f square to 3d-4f grid","Chem.Commun.","2015","51","","17317","","10.1039/C5cc06960B","","","0.71073","MoKα","","0.1603","0.0985","","","0.2971","0.3384","","","","","","1.186","","","","has coordinates","170729","2020-10-21","18:00:00",""
"7123375","25.2441","0.0012","25.2441","0.0012","18.8435","0.0011","90","","90","","90","","12008.3","1.1","100","2","99.99","","","","","","","","","4","I 41/a m d","-I 4bd 2","141","","","","- Cu12 Ga24 S70 Sn8 -","- Cu12 Ga24 S70 Sn8 -","- Cu24 Ga48 S140 Sn16 -","2","","","Zhang, Jiaxu; Wang, Xiang; Lv, Jing; Li, Dong-Sheng; Wu, Tao","A multivalent mixed-metal strategy for single-Cu±ion-bridged cluster-based chalcogenide open frameworks for sensitive nonenzymatic detection on glucose","Chemical Communications","2019","","","","","10.1039/C9CC02905B","","","0.71073","MoKα","","0.062","0.051","","","0.1825","0.2108","","","","","","1.111","","","","has coordinates","214862","2020-10-21","18:00:00",""
"7223867","17.726","0.002","17.726","0.002","38.491","0.005","90","","90","","90","","12094","2","298","2","298","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C24 H54 Co6 F12 N8 O43 -","- C24 H54 Co6 F12 N8 O43 -","- C192 H432 Co48 F96 N64 O344 -","8","","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","0.71073","MoKα","","0.0802","0.0531","","","0.1439","0.166","","","","","","1.038","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7227517","6.025","0.018","6.025","0.018","26.95","0.08","90","","90","","90","","978","5","173","","173","","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C6 H4 Co N6 O4 -","- C6 H4 Co N6 O4 -","- C24 H16 Co4 N24 O16 -","4","","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1173","0.0977","","","0.2787","0.2973","","","","","","1.205","","","","has coordinates","195019","2020-10-21","18:00:00",""
"7228086","17.764","0.003","17.764","0.003","17.822","0.004","90","","90","","90","","5623.9","1.8","298","2","298","2","","","","","","","","3","I 41/a m d","-I 4bd 2","141","","","","- Ge13 Ir4 Lu3 -","- Ge13 Ir4 Lu3 -","- Ge208 Ir64 Lu48 -","16","","","Oswald, Iain W.H.; Rai, Binod K.; McCandless, Gregory T.; Morosan, Emilia; Chan, Julia","The Proof is in the Powder: Revealing Structural Peculiarities in the Yb3Rh4Sn13 Structure Type","CrystEngComm","2017","","","","","10.1039/C7CE00419B","","","0.71073","MoKα","","0.0582","0.0389","","","0.0949","0.1093","","","","","","1.147","","","","has coordinates","195530","2020-10-21","18:00:00",""
"7228930","7.92","0.003","7.92","0.003","19.588","0.004","90","","90","","90","","1228.7","0.7","170","","170","","","","","","","","","4","I 41/a m d","-I 4bd 2","141","","","","- C6 H7 N O -","- C6 H7 N O -","- C48 H56 N8 O8 -","8","","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","","0.71073","MoKα","","0.1579","0.0571","","","0.1212","0.1644","","","","","","1.007","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7231362","27.56","0.004","27.56","0.004","12.012","0.002","90","","90","","90","","9124","2","293","2","293","2","","","","","","","","7","I 41/a m d","-I 4bd 2","141","","","","- C48 H40 Mo24 N16 O80 P2 Zn8 -","- C48 H40 Mo24 N16 O80 P2 Zn8 -","- C96 H80 Mo48 N32 O160 P4 Zn16 -","2","","","Peng, Hai-Yue; Yang, Xiao-Jian; Ma, Yuan-Yuan; Liu, Jia-Ning; Wang, Yong-Hui; Tan, Huaqiao; Li, Yang-Guang","Polyoxometalate-based metal-organic framework loading with ultra-low amount of Pt as efficient electrocatalyst for hydrogen production","CrystEngComm","2018","","","","","10.1039/C8CE01151F","","","0.71073","MoKα","","0.0778","0.0669","","","0.1675","0.1782","","","","","","1.035","","","","has coordinates","209658","2020-10-21","18:00:00",""
"7231985","13.638","0.003","13.638","0.003","11.428","0.003","90","","90","","90","","2125.6","0.9","296.15","","296.15","","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C8 H4 Cu3 N16 Na O4 -","- C8 H4 Cu3 N16 Na O4 -","- C32 H16 Cu12 N64 Na4 O16 -","4","","","Lu, Jack; Zhang, Sheng; Wu, Shuo; Zhang, Wendou; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","A 3D solvent-free energetic metal-organic framework (EMOF) achieved by removing inclusion molecules from a new coordination polymer","CrystEngComm","2018","","","","","10.1039/C8CE01803K","","","0.71073","MoKα","","0.0764","0.0534","","","0.1657","0.1803","","","","","","1.16","","","","has coordinates","212561","2020-10-21","18:00:00",""