# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T19:49:22+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 21 21 21' 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
"2013563","6.6915","0.0017","7.1211","0.0012","18.551","0.004","90","","90","","90","","884","0.3","203","2","203","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","","μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté","","- C4 H6 Cl2 Cu N6 O -","- C4 H6 Cl2 Cu N6 O -","- C16 H24 Cl8 Cu4 N24 O4 -","4","0.5","DN1028","Guédira, Fouzia; Saidi Idrissi, Malika; Krautscheid, Harald; El Ammari, Lahcen","μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté","Acta Crystallographica Section C","2003","59","12","m530","m532","10.1107/S0108270103021516","","","0.71073","MoKα","","0.02","0.0184","","","0.0465","0.0472","","","","","","1.094","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2210931","9.802","0.002","13.696","0.003","31.459","0.006","90","","90","","90","","4223.3","1.5","292","2","292","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","catena-Poly[[[(dipyrido[3,2-a:2',3'-c]phenazine)cobalt(II)]-μ-benzene- 1,3-dicarboxylato] hemihydrate}","","- C26 H15 Co N4 O4.5 -","- C26 H14 Co N4 O4.5 -","- C208 H112 Co8 N32 O36 -","8","1","CI2186","Qing-Wei Wang; Qing-Long Meng; Zhi-Xin Yu; Xiao-Hong Zhao","<i>catena</i>-Poly[[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cobalt(II)]-μ-benzene-1,3-dicarboxylato] hemihydrate]","Acta Crystallographica Section E","2006","62","11","m3009","m3011","10.1107/S1600536806042802","","","0.71073","MoKα","","0.113","0.0681","","","0.1223","0.1389","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"4064467","13.224","0.0005","17.031","0.0006","20.723","0.0008","90","","90","","90","","4667.2","0.3","150","2","150","2","","","","","","","","7","I 21 21 21","I 2b 2c","24","","","","- C28 H38 Au2 F12 N8 O5 P2 -","- C28 H38 Au2 F12 N8 O5 P2 -","- C112 H152 Au8 F48 N32 O20 P8 -","4","0.5","","Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands","Organometallics","2011","30","9","2553","","10.1021/om200125w","","","0.71073","MoKα","","0.0759","0.0561","","","0.1257","0.1336","","","","","","1.062","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4104618","14.153","0.002","23.683","0.004","28.211","0.005","90","","90","","90","","9456","3","301","2","301","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C30 H35 Au F6 N3 P -","- C30 H35 Au F6 N3 P -","- C360 H420 Au12 F72 N36 P12 -","12","1.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.0367","0.0328","","","0.0917","0.0951","","","","","","1.086","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4113679","14.6723","0.0009","25.127","0.001","10.839","0.0005","90","","90","","90","","3996","0.3","288.2","","","","","","","","","","","4","I 21 21 21","I 2b 2c","24","","","","- C50 H44 Br N3 -","- C50 H44 Br N4 -","- C200 H176 Br4 N16 -","4","0.5","","Takashi Ooi; Minoru Kameda; Keiji Maruoka","Design of N-Spiro C2-Symmetric Chiral Quaternary Ammonium Bromides as Novel Chiral Phase-Transfer Catalysts: Synthesis and Application to Practical Asymmetric Synthesis of α-Amino Acids","Journal of the American Chemical Society","2003","125","","5139","5151","10.1021/ja021244h","","","0.7107","MoKα","","","0.0712","","","","0.2064","","","","","","1.256","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4124088","13.7948","","13.7061","","6.5916","","90","","90","","90","","1246.29","","","","","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","K8.16 Ga8.2 Si11.8 O40 (H2 O)11.5","","- Ga8.2 H23 K8.16 O51.5 Si11.8 -","- Ga8.2 K8.16 O51.52 Si11.8 -","- Ga8.2 K8.16 O51.52 Si11.8 -","1","0.125","","Lee Yongjae; Celestian, A.J.; Kim Sun Jin; Bull, I.; Kao Chichang; Parise, J.B.; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124089","13.7298","","13.5815","","6.5589","","90","","90","","90","","1223.05","","","","","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","K8 Ga8.2 Si11.8 O40 (H2 O)11.3","","- Ga8.2 H22.6 K8 O51.3 Si11.8 -","- Ga8.2 K8 O51.28 Si11.8 -","- Ga8.2 K8 O51.28 Si11.8 -","1","0.125","","Lee Yongjae; Kim Sun Jin; Bull, I.; Kao Chichang; Celestian, A.J.; Parise, J.B.; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124090","13.7587","","13.655","","6.5728","","90","","90","","90","","1234.86","","","","","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","K8 Ga8.2 Si11.8 O40 (H2 O)11.6","","- Ga8.2 H23.2 K8 O51.6 Si11.8 -","- Ga8.2 K8 O51.6 Si11.8 -","- Ga8.2 K8 O51.6 Si11.8 -","1","0.125","","Lee Yongjae; Kim Sun Jin; Celestian, A.J.; Bull, I.; Parise, J.B.; Kao Chichang; Vogt, T.","Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite","Journal of the American Chemical Society","2007","129","","13744","13748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4306081","12.017","0.005","12.231","0.005","12.402","0.005","90","","90","","90","","1822.8","1.3","180","2","180","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","Ag(Phdat)(BF4).solv","","","- C9 H9 Ag B F4 N5 -","- C9 H9 Ag B F4 N5 -","- C36 H36 Ag4 B4 F16 N20 -","4","0.5","","Blanca R. Manzano; Félix A. Jalón; M. Laura Soriano; M. Carmen Carrión; M. Pilar Carranza; Kurt Mereiter; Ana M. Rodríguez; Antonio de la Hoz; Ana Sánchez-Migallón","Anion-Dependent Self-Assembly of Silver(I) and Diaminotriazines to Coordination Polymers: Non-Covalent Bonds and Role Interchange between Silver and Hydrogen Bonds","Inorganic Chemistry","2008","47","","8957","8971","10.1021/ic800997d","","","0.71073","MoKα","","0.0572","0.0468","","","0.103","0.1067","","","","","","0.991","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4306083","11.6841","0.0011","11.9242","0.0011","13.9294","0.0011","90","","90","","90","","1940.7","0.3","180","2","180","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","[Ag(Toldat)](BF4).solv","","","- C10 H11 Ag B F4 N5 -","- C10 H11 Ag B F4 N5 -","- C40 H44 Ag4 B4 F16 N20 -","4","0.5","","Blanca R. Manzano; Félix A. Jalón; M. Laura Soriano; M. Carmen Carrión; M. Pilar Carranza; Kurt Mereiter; Ana M. Rodríguez; Antonio de la Hoz; Ana Sánchez-Migallón","Anion-Dependent Self-Assembly of Silver(I) and Diaminotriazines to Coordination Polymers: Non-Covalent Bonds and Role Interchange between Silver and Hydrogen Bonds","Inorganic Chemistry","2008","47","","8957","8971","10.1021/ic800997d","","","0.71073","MoKα","","0.0249","0.0226","","","0.0528","0.0538","","","","","","1.059","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4334759","12.914","0.004","13.12","0.004","39.995","0.013","90","","90","","90","","6776","4","120","2","120","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C46 H42 F18 N13 P3 Ru2 -","- C46 H42 F18 N13 P3 Ru2 -","- C184 H168 F72 N52 P12 Ru8 -","4","0.5","","Misaki Makino; Tomoya Ishizuka; Shingo Ohzu; Jiang Hua; Hiroaki Kotani; Takahiko Kojima","Synthesis and Characterization of an Azido-Bridged Dinuclear Ruthenium(II) Polypyridylamine Complex Forming a Mixed-Valence State","Inorganic Chemistry","2013","52","","5507","5514","10.1021/ic400412f","","","0.71073","MoKα","","0.118","0.0988","","","0.2474","0.2594","","","","","","1.039","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4340105","12.0199","0.0003","12.0211","0.0003","34.969","0.001","90","","90","","90","","5052.8","0.2","296","2","293","","","","","","","","","7","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au Eu0.5 N8 O12 Tb0.5 -","- C34 H72 Au Eu0.5 N8 O12 Tb0.5 -","- C136 H288 Au4 Eu2 N32 O48 Tb2 -","4","0.5","","Ahern, John C.; Roberts, Ryan J.; Follansbee, Philip; McLaughlin, Jeffrey; Leznoff, Daniel B.; Patterson, Howard H.","Structure and Emissive Properties of Heterobimetallic Ln-Au Coordination Polymers: Role of Tb and Eu in Non-aurophilic [(n)Bu4N]2[Ln(NO3)4Au(CN)2] versus Aurophilic Ln[Au(CN)2]3·3H2O/3D2O Chains.","Inorganic chemistry","2014","53","14","7571","7579","10.1021/ic500890r","","","0.71073","MoKα","","0.0273","0.0229","","0.0277","0.0208","0.0205","","","","","","1.0772","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4347763","17.3386","0.0003","22.809","0.0005","24.6996","0.0007","90","","90","","90","","9768.1","0.4","293","2","293","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C48 H62 N12 O18 Zn3 -","- C48 H62 N12 O18 Zn3 -","- C192 H248 N48 O72 Zn12 -","4","0.5","","Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian","Catenation of Homochiral Metal-Organic Nanocages or Nanotubes.","Inorganic chemistry","2016","55","11","5095","5097","10.1021/acs.inorgchem.6b00574","","","1.54178","CuKα","","0.0885","0.0733","","","0.2133","0.229","","","","","","1.064","","","","has coordinates","232490","2020-10-21","18:00:00",""
"7002481","8.207","0.005","27.618","0.005","28.692","0.005","90","0.005","90","0.005","90","0.005","6503","4","293","2","293","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C62 H76 Cd2 N6 O16 -","- C42 H24 Cd2 O12 -","- C168 H96 Cd8 O48 -","4","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Su, Zhong-Min; Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Fu, Yao-Mei","Two unprecedented porous anionic frameworks: organoammonium templating effects and structural diversification","Dalton Transactions","2009","","40","8562","8566","10.1039/b906728k","","","0.71069","MoKα","","0.0446","0.0397","","","0.1134","0.116","","","","","","1.011","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7009833","19.086","0.008","19.06","0.001","25.9042","0.0007","90","","90","","90","","9423","4","200.2","","","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C42 H30 Ag2 F12 P2 S6 -","- C42 H30 Ag2 F12 P2 S6 -","- C336 H240 Ag16 F96 P16 S48 -","8","1","","Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu","Three-dimensional silver(I) co-ordination polymer with pocket structures","Journal of the Chemical Society, Dalton Transactions","2000","","20","3620","","10.1039/b003944f","","","0.7107","MoKα","","","0.0451","","","","0.119","","","","","","1.484","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016817","11.3486","0.0008","14.1073","0.0018","17.514","0.002","90","","90","","90","","2804","0.5","296","","296","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C30 H20 Ag4 N4 O9 -","- C30 H20 Ag4 N4 O9 -","- C120 H80 Ag16 N16 O36 -","4","0.5","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Liang, Ran; Hou, Hong-Wei; Wu, Yang-Jie; Mak, Thomas C. W.","Syntheses, structures and properties of silver-organic frameworks constructed with 1,2,3,4-benzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10071","10081","10.1039/c1dt10830a","","","0.71073","MoKα","","0.0669","0.0474","","","0.1004","0.1093","","","","","","1.001","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7019289","11.8889","0.0015","11.9354","0.0015","35.238","0.005","90","","90","","90","","5000.2","1.1","293","","293","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au N8 Nd O12 -","- C34 H72 Au N8 Nd O12 -","- C136 H288 Au4 N32 Nd4 O48 -","4","0.5","","Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B.","Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6992","6997","10.1039/c2dt30156c","","","0.71073","MoKα","","0.0439","0.0336","","0.0312","0.0274","0.027","","","","","","1.0839","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7019290","12.0175","0.0013","12.0203","0.0014","35.042","0.004","90","","90","","90","","5062","1","293","","293","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au Eu N8 O12 -","- C34 H72 Au Eu N8 O12 -","- C136 H288 Au4 Eu4 N32 O48 -","4","0.5","","Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B.","Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6992","6997","10.1039/c2dt30156c","","","0.71073","MoKα","","0.0569","0.023","","0.0472","0.0196","0.0194","","","","","","1.0644","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019291","11.9857","0.0002","12.0414","0.0002","35.0246","0.0006","90","","90","","90","","5054.91","0.15","293","","293","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au Gd N8 O12 -","- C34 H72 Au Gd N8 O12 -","- C136 H288 Au4 Gd4 N32 O48 -","4","0.5","","Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B.","Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6992","6997","10.1039/c2dt30156c","","","0.71073","MoKα","","0.05","0.0439","","0.0439","0.0252","0.025","","","","","","1.0601","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019292","12.0111","0.0005","12.0111","0.0005","34.9402","0.0016","90","","90","","90","","5040.7","0.4","296","2","293","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au N8 O12 Tb -","- C34 H72 Au N8 O12 Tb -","- C136 H288 Au4 N32 O48 Tb4 -","4","0.5","","Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B.","Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6992","6997","10.1039/c2dt30156c","","","0.71073","MoKα","","0.0313","0.0235","","0.0257","0.0186","0.0184","","","","","","1.0729","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7036684","19.552","0.003","21.898","0.004","25.297","0.004","90","","90","","90","","10831","3","273","2","273","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","SCU-3","","","- C42 H24 O19 P2 U2 -","- C42 H24 O19 P2 U2 -","- C168 H96 O76 P8 U8 -","4","0.5","","Wang, Yanlong; Li, Yuxiang; Bai, Zhuanling; Xiao, Chengliang; Liu, Zhiyong; Liu, Wei; Chen, Lanhua; He, Weiwei; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Design and synthesis of a chiral uranium-based microporous metal organic framework with high SHG efficiency and sequestration potential for low-valent actinides.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18810","18814","10.1039/c5dt02337h","","","0.71073","MoKα","","0.0585","0.0471","","","0.126","0.135","","","","","","0.987","","","","has coordinates","171224","2020-10-21","18:00:00",""
"7056596","12.5644","0.0019","14.395","0.002","15.5","0.002","90","","90","","90","","2803.4","0.7","296","2","296.15","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C30 H26 N4 O4 Zn -","- C30 H26 N4 O4 Zn -","- C120 H104 N16 O16 Zn4 -","4","0.5","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","","","","","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0402","0.0368","","","0.0972","0.0999","","","","","","1.0147","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7103033","10.836","0.002","16.259","0.004","20.307","0.005","90","","90","","90","","3577.7","1.4","113","2","","","","","","","","","","7","I 21 21 21","I 2b 2c","24","","","","- C32 H40 B2 Cl Eu F8 N8 -","- C32 H40 B2 Cl Eu F8 N8 -","- C128 H160 B8 Cl4 Eu4 F32 N32 -","4","0.5","","Wada, Atsushi; Watanabe, Masayuki; Yamanoi, Yoshinori; Nishihara, Hiroshi","Modification of the luminescence spectra of chloro(tetrapyridylcyclotetramine)europium complexes by fine tuning of the Eu-Cl distance with outer-sphere counterions in the solid state, in a polymer matrix and in solution.","Chemical communications (Cambridge, England)","2008","","14","1671","1673","10.1039/b716987f","","","0.71069","MoKα","","","0.0595","","","","0.1509","","","","","","1.121","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103341","7.512","0.003","19.532","0.008","7.143","0.003","90","","90","","90","","1048.1","0.7","293.15","","293.15","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C4 H6 Br2 Cd N6 O -","- C4.06 H6 Br2 Cd N5.94 O -","- C16.24 H24 Br8 Cd4 N23.76 O4 -","4","0.5","","Zhang, Rui-Bo; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Controlled generation of acentric and homochiral coordination compounds from a versatile asymmetric ligand 4-(1H-1,2,4-triazol-3-yl)-4H-1,2,4-triazole.","Chemical communications (Cambridge, England)","2008","","35","4159","4161","10.1039/b807320a","","","0.71073","MoKα","","0.0205","0.0182","","","0.038","0.0385","","","","","","0.92","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7106667","15.352","0.002","12.385","0.001","46.027","0.008","90","","90","","90","","8751","2","120","2","120","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C27 H31 N O22 Sc3 -","- C192 H96 O144 Sc24 -","- C192 H96 O144 Sc24 -","1","0.125","","Ilich A. Ibarra; Sihai Yang; Xiang Lin; Alexander J. Blake; Pierre J. Rizkallah; Harriott Nowell; David R. Allan; Neil R. Champness; Peter Hubberstey; Martin Schroder","Highly Porous and Robust Scandium-based Metal-Organic Frameworks for Hydrogen Storage","Chem.Commun.","2011","47","","8304","","10.1039/c1cc11168j","","","0.6893","synchrotron","","0.103","0.0392","","","0.117","0.13","","","","","","0.69","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7126107","11.3195","0.0007","22.5808","0.0011","23.2576","0.0014","90","","90","","90","","5944.7","0.6","200","0.1","200","0.1","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C12 H18 Ag3 F2 O2 S2 -","- C12 H18 Ag3 F2 O2 S2 -","- C96 H144 Ag24 F16 O16 S16 -","8","1","","Wang, Jia-Yin; Li, Wen-Hua; Wei, Zhong; Zhang, Chong; Li, Ya-Hui; Dong, Xi-Yan; Xu, Gang; Zang, Shuang-Quan","A hydrophobic semiconducting metal-organic framework assembled from silver chalcogenide wires.","Chemical communications (Cambridge, England)","2020","56","14","2091","2094","10.1039/c9cc08402a","","x-ray","1.54184","CuKα","","0.1384","0.1185","","","0.3038","0.3189","","","","","","1.092","","","","has coordinates,has disorder","248733","2020-10-21","18:00:00",""
"7212070","8.884","0.0007","13.093","0.0006","13.1346","0.0004","90","","90","","90","","1527.79","0.15","293","2","293","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C7 H11 La N10 O6 -","- C7 H11 La N10 O6 -","- C28 H44 La4 N40 O24 -","4","0.5","","Rodríguez-Diéguez, A.; Salinas-Castillo, A.; Sironi, A.; Seco, J. M.; Colacio, E.","A chiral diamondoid 3D lanthanum metal‒organic framework displaying blue-greenish long lifetime photoluminescence emission","CrystEngComm","2010","12","6","1876","","10.1039/b919243c","","","0.71073","MoKα","","0.0128","0.0125","","","0.0297","0.0298","","","","","","1.061","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7214894","20.215","0.0011","20.9756","0.0012","33.84","0.0019","90","","90","","90","","14348.9","1.4","291","2","291","2","","","","","","","","8","I 21 21 21","I 2b 2c","24","","","","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C452 H436 F144 N96 O60 P24 Ru12 S12 -","4","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.108","0.0567","","","0.1244","0.1359","","","","","","0.962","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7216574","18.924","0.004","19.117","0.003","13.892","0.004","90","","90","","90","","5026","2","213","","213","","","","","","","","see paper","7","I 21 21 21","I 2b 2c","24","Compound 7","Delta-tris(R,R-trans-1,2-diaminocyclohexane)chromiumtrichloride Lambda-tris(S,S-trans-1,2-diaminocyclohexane)cobalt(III)trichloride tetrahydrate","","- C36 H92 Cl6 Co Cr N12 O4 -","- C36 H92 Cl6 Co Cr N12 O4 -","- C144 H368 Cl24 Co4 Cr4 N48 O16 -","4","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0477","0.0395","","","0.0962","0.0987","","","","","","1.05","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7236291","14.0719","0.0013","21.6271","0.0019","9.975","0.0009","90","","90","","90","","3035.7","0.5","298","2","298","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C34 H27 Cd N4 O4.5 -","- C34 H27 Cd N4 O4.5 -","- C136 H108 Cd4 N16 O18 -","4","0.5","","Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua","Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid","RSC Advances","2017","7","9","4855","","10.1039/C6RA27509E","","","0.71073","MoKα","","0.0744","0.047","","","0.0929","0.1013","","","","","","1.068","","","","has coordinates,has disorder","235354","2020-10-21","18:00:00",""
"7709096","15.6986","0.0009","24.7762","0.0014","26.3491","0.0016","90","","90","","90","","10248.5","1","100","","100","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C51 H59 Br N3 O5 Re -","- C51 H59 Br N3 O5 Re -","- C408 H472 Br8 N24 O40 Re8 -","8","1","","Álvarez-García, Jonathan; García-Lago, Ramón; Alonso-Gómez, José Lorenzo; López, Carlos Silva; Cid, María Magdalena","Accessible triplet excited states in the photoisomerization of allenes with extended conjugation.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1357","1363","10.1039/d1dt03688b","","","0.71073","MoKα","","0.0897","0.0675","","","0.1456","0.1588","","","","","","1.083","","","","has coordinates,has disorder","272682","2022-02-04","19:43:13",""
"7711113","6.5379","0.0002","10.6082","0.0003","19.3914","0.0006","90","","90","","90","","1344.9","0.07","100","","100.15","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C6 H14 La N7 O10 -","- C6 H14 La N7 O10 -","- C24 H56 La4 N28 O40 -","4","0.5","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.34139","GaKα","","0.031","0.0309","","","0.0835","0.0836","","","","","","1.202","","","","has coordinates","277567","2022-09-01","22:54:44",""
"9006301","4.1154","","4.4201","","15.5724","","90","","90","","90","","283.269","","","","","","","","","","","","","2","I 21 21 21","I 2b 2c","24","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 18","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9012181","7.051","","9.968","","7.285","","90","","90","","90","","512.022","","","","","","","","","","","","Ivigtut, Greenland","4","I 21 21 21","","","","","Weberite","- Al F7 Mg Na2 -","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","4","0.5","","Knop, O.; Cameron, T. S.; Jochem, K.","What is the true space group of weberite? Sample: I2_12_12_1 refinement, T = ambient Note: y(F6) and z(F6) corrected","Journal of Solid State Chemistry","1982","43","","213","221","10.1016/0022-4596(82)90231-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012182","7.05","","9.979","","7.297","","90","","90","","90","","513.358","","","","133","","","","","","","","Ivigtut, Greenland","4","I 21 21 21","","","","","Weberite","- Al F7 Mg Na2 -","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","4","0.5","","Knop, O.; Cameron, T. S.; Jochem, K.","What is the true space group of weberite? Sample: I2_12_12_1 refinement, T = 133 K Note: y(F6) and z(F6) corrected","Journal of Solid State Chemistry","1982","43","","213","221","10.1016/0022-4596(82)90231-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""