# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-16T08:05:24+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 64 2 2' 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
"1518834","7.01187","0.00014","7.01187","","14.8008","0.0005","90","","90","","120","","630.21","0.02","7","","7","","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","","","","- B10 D10 Li2 -","- B10 D10 Li2 -","- B30 D30 Li6 -","3","0.25","","Wu, Hui; Tang, Wan Si; Stavila, Vitalie; Zhou, Wei; Rush, John J.; Udovic, Terrence J.","Structural Behavior of Li2B10H10","The Journal of Physical Chemistry C","2015","","","150312100216002","","10.1021/acs.jpcc.5b00533","powder diffraction","neutron","1.5398","","","","","","","","","0.03857","","1.06","","","","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1528542","4.7422","","4.7422","","6.6057","","90","","90","","120","","128.65","","","","","","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","W Al2","","- Al2 W -","- Al2 W -","- Al6 W3 -","3","0.25","","Gu, Q.F.; Jung, D.Y.; Krauss, G.; Steurer, W.","Crystal structure and high-pressure studies of W Al2, an aluminide crystallizing with the Cr Si2 structure type","Journal of Solid State Chemistry","2008","181","","2719","2724","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531622","8.793","","8.793","","24.53","","90","","90","","120","","1642.49","","","","","","","","","","","","","6","P 64 2 2","P 64 2 (0 0 2)","181","","Cd Zr Na2 (C2 O4)4 (H2 O)8.52","","- C8 H17.04 Cd Na2 O24.52 Zr -","- C8 Cd Na2 O24.52 Zr -","- C24 Cd3 Na6 O73.56 Zr3 -","3","0.25","","Jeanneau, E.; Audebrand, N.; le Floch, M.; Bureau, B.; Louer, D.","A new ternary cadmium - zirconium - sodium oxalate with an open framework: crystal structure, solid-state NMR spectroscopy and thermal behavior","Journal of Solid State Chemistry","2003","170","","330","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531625","8.566","","8.566","","37.811","","90","","90","","120","","2402.73","","","","","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","Cd3 In2 (C2 O4)6 (H2 O)9.02","","- C12 H18.04 Cd3 In2 O33.02 -","- C12 Cd3 In2 O33.02 -","- C36 Cd9 In6 O99.06 -","3","0.25","","Jeanneau, E.; Audebrand, N.; Louer, D.","Crystal structure and thermal behavior of a new cadmium indium oxalate","Journal of Solid State Chemistry","2003","173","","387","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532198","4.5726","","4.5726","","6.3744","","90","","90","","120","","115.424","","","","","","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","V Si2","","- Si2 V -","- Si2 V -","- Si6 V3 -","3","0.25","","Tanaka, K.; Nawata, K.; Yamaguchi, M.; Inui, H.; Koiwa, M.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532201","4.4283","","4.4283","","6.368","","90","","90","","120","","108.145","","","","","","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","","","- Cr Si2 -","- Cr Si2 -","- Cr3 Si6 -","3","0.25","","Tanaka, K.; Nawata, K.; Koiwa, M.; Yamaguchi, M.; Inui, H.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532207","4.7839","","4.7839","","6.57","","90","","90","","120","","130.215","","","","","","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","Ta Si2","","- Si2 Ta -","- Si2 Ta -","- Si6 Ta3 -","3","0.25","","Tanaka, K.; Nawata, K.; Koiwa, M.; Inui, H.; Yamaguchi, M.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537605","8.434","","8.434","","20.695","","90","","90","","120","","1274.86","","","","","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","Co (Au (C N)2)2","","- C4 Au2 Co N4 -","- C4 Au2 Co N4 -","- C24 Au12 Co6 N24 -","6","0.5","","Abrahams, S.C.; Bernstein, J.L.; Zyontz, L.E.","Coblat cyanoaurate: Crystal structure of a component from cobalt-hardened gold electroplating baths","Journal of Chemical Physics","1982","76","","5458","5462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539276","4.794","","4.794","","6.589","","90","","90","","120","","131.143","","","","","","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","","","- Nb Si2 -","- Nb Si2 -","- Nb3 Si6 -","3","0.25","","Wallbaum, H.J.","Disilizide des Niobs, Tantals, Vanadiums und Rheniums","Zeitschrift fuer Metallkunde","1941","33","","378","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1563781","4.4289","0.0002","4.4289","0.0002","6.3663","0.0003","90","","90","","120","","108.146","0.009","298","2","298","2","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","","","- Cr Si2 -","- Cr Si2 -","- Cr3 Si6 -","3","0.25","","Moll, A.; Viennois, R.; Boehm, M.; Koza, M. M.; Sidis, Y.; Rouquette, J.; Laborde, S.; Debray, J.; Menaert, B.; Castellan, J.-P.; Candolfi, C.; Lenoir, B.; Hermet, P.; Beaudhuin, M.","Anharmonicity and Effect of the Nanostructuring on the Lattice Dynamics of CrSi2","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c02738","","","0.71073","MoKα","","0.043","0.0419","","","0.1091","0.1097","","","","","","1.395","","","","has coordinates","266793","2021-06-29","23:41:22",""
"1570005","15.4656","0.0004","15.4656","0.0004","45.0635","0.0014","90","","90","","120","","9334.5","0.4","90","","90","","","","","","","","","6","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C48 H38 N2 O6 S2 Zn -","- C48 H38 N2 O6 S2 Zn -","- C288 H228 N12 O36 S12 Zn6 -","6","0.5","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0704","0.0522","","","0.1103","0.1172","","","","","","1.054","","","","has coordinates,has disorder","286553","2023-09-27","02:10:28",""
"1570664","1.89375","","1.89375","","3.44983","","90","","90","","120","","10.715","","","","","","","","","","","","","1","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C -","- C -","- C9 -","9","0.75","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"2101509","8.939","0.002","8.939","0.002","10.893","0.002","90","","90","","120","","753.8","0.3","298","","","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C4 H8 N O10 Ti -","- C4 H8 N O10 Ti -","- C12 H24 N3 O30 Ti3 -","3","0.25","AS0695","Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B.","Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths","Acta Crystallographica Section B","1996","52","3","458","464","10.1107/S0108768195012900","","","0.7107","MoKα","","","0.031","","","0.028","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101510","8.931","0.002","8.931","0.002","10.893","0.001","90","","90","","120","","752.5","0.2","130","","","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C4 H8 N O10 Ti -","- C4 H8 N O10 Ti -","- C12 H24 N3 O30 Ti3 -","3","0.25","AS0695","Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B.","Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths","Acta Crystallographica Section B","1996","52","3","458","464","10.1107/S0108768195012900","","","0.7107","MoKα","","","0.025","","","0.024","","","","","2.68","2.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101511","8.947","0.002","8.947","0.002","10.898","0.001","90","","90","","120","","755.5","0.2","298","","","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C4 H8 N O10 Ti -","- C4 H8 N O10 Ti -","- C12 H24 N3 O30 Ti3 -","3","0.25","AS0695","Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B.","Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths","Acta Crystallographica Section B","1996","52","3","458","464","10.1107/S0108768195012900","","","0.5609","AgKα","","","0.035","","","0.03","","","","","1.86","1.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310567","4.705","","4.705","","6.505","","90","","90","","120","","124.709","","","","","","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","","Ti0.9 Re0.1 Si2","","- Re0.1 Si2 Ti0.9 -","- Re0.1 Si2 Ti0.9 -","- Re0.3 Si6 Ti2.7 -","3","0.25","","Duffin, W.J.; Parthe, E.; Norton, J.T.","The Structure of (Ti, Re) Si2","Acta Crystallographica (1,1948-23,1967)","1964","17","","450","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4000137","9.061","0.005","9.061","0.005","23.394","0.005","90","0.005","90","0.005","120","0.005","1663.4","1.3","298","2","298","2","","","","","","","","6","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C8 H15.84 Cd N2 O19.92 Zr -","- C8 H15.84 Cd N2 O19.92 Zr -","- C24 H47.52 Cd3 N6 O59.76 Zr3 -","3","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71069","MoKα","","0.0504","0.0309","","","0.0721","0.0791","","","","","","1.083","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4119355","21.912","0.0002","21.912","0.0002","54.056","0.0009","90","","90","","120","","22477","0.5","120","2","120","2","","","","","","","","7","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C272 H284 F36 N40 Ni6 O42 S12 -","- C219 H176 F33 N32 Ni6 O33 S11 -","- C657 H528 F99 N96 Ni18 O99 S33 -","3","0.25","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.1258","0.1208","","","0.3155","0.3205","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4131626","35.7068","0.0006","35.7068","0.0006","22.6261","0.0004","90","","90","","120","","24982.9","0.7","150","0.1","150","0.1","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","2P4M-2","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.25","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.0797","0.0548","","","0.1468","0.1676","","","","","","0.941","","","","has coordinates","241802","2020-10-21","18:00:00",""
"4307798","5.5156","0.0006","5.5156","0.0006","7.6259","0.0009","90","","90","","120","","200.91","0.04","295","2","295","2","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","Zirconium tin antimony (1/1.2/0.8)","Zirconium tin antimony (1/1.2/0.8)","","- Sb0.8 Sn1.2 Zr -","- Sb0.8 Sn1.2 Zr -","- Sb2.4 Sn3.6 Zr3 -","3","0.25","","Andriy V. Tkachuk; Davin G. Piercey; Arthur Mar","Ternary Zirconium Tin Antimonide ZrSn2-xSbx (0.2 < x < 0.8), Different from the Parent Binaries ZrSn2 and ZrSb2","Inorganic Chemistry","2007","46","","2877","2882","10.1021/ic062277r","","","0.71073","MoKα","","0.0266","0.0261","","","0.0934","0.0938","","","","","","1.737","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4307799","5.5142","0.0004","5.5142","0.0004","7.6287","0.0006","90","","90","","120","","200.88","0.03","295","2","295","2","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","Zirconium tin antimony (1/1.3/0.7)","Zirconium tin antimony (1/1.3/0.7)","","- Sb0.7 Sn1.3 Zr -","- Sb0.7 Sn1.3 Zr -","- Sb2.1 Sn3.9 Zr3 -","3","0.25","","Andriy V. Tkachuk; Davin G. Piercey; Arthur Mar","Ternary Zirconium Tin Antimonide ZrSn2-xSbx (0.2 < x < 0.8), Different from the Parent Binaries ZrSn2 and ZrSb2","Inorganic Chemistry","2007","46","","2877","2882","10.1021/ic062277r","","","0.71073","MoKα","","0.0355","0.0335","","","0.085","0.0861","","","","","","1.471","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4321772","12.396","0.001","12.396","0.001","21.96","0.002","90","","90","","120","","2922.3","0.4","293","2","293","2","","","","","","","synthesized","5","P 64 2 2","P 64 2 (0 0 2)","181","","Tetrachloro-tetrakis(bis(dimethylphosphino)methane-P)- -di-molybdenum(II)","","- C20 H56 Cl4 Mo2 P8 -","- C20 H56 Cl4 Mo2 P8 -","- C60 H168 Cl12 Mo6 P24 -","3","0.25","","F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero","Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4","Inorganic Chemistry","1999","38","","490","495","10.1021/ic980972w","","","1.54184","CuKα","","0.0373","0.0335","","0.0918","0.0891","","","","1.088","1.096","1.096","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4500256","17.5949","0.0003","17.5949","0.0003","22.5436","0.0013","90","","90","","120","","6044","0.4","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C18 H36 Cu7 I7 N6 -","- C18 H36 Cu7 I7 N6 -","- C108 H216 Cu42 I42 N36 -","6","0.5","","Zhang, Ying; He, Xinwei; Zhang, Jian; Feng, Pingyun","CuI Cluster-Based Organic Frameworks with Unusual 4- and 5-Connected Topologies","Crystal Growth & Design","2011","11","1","29","","10.1021/cg101321u","","","0.71073","MoKα","","0.0356","0.0303","","","0.073","0.0754","","","","","","1.071","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4502423","21.26","0.003","21.26","0.003","7.73","0.0015","90","","90","","120","","3025.8","0.8","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C34 H16 F12 O9 Zn2 -","- C34 H16 F12 O9 Zn2 -","- C102 H48 F36 O27 Zn6 -","3","0.25","","Jiang, Hai-Long; Liu, Bo; Xu, Qiang","Rational Assembly of d10Metal−Organic Frameworks with Helical Nanochannels Based on Flexible V-Shaped Ligand","Crystal Growth & Design","2010","10","2","806","","10.1021/cg901181x","","","0.71073","MoKα","","0.0796","0.0649","","","0.1738","0.1929","","","","","","1.052","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4510079","11.5714","0.0005","11.5714","0.0005","22.773","0.002","90","","90","","120","","2640.7","0.3","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C17 H15 N2 O5 Zn -","- C17 H15 N2 O5 Zn -","- C102 H90 N12 O30 Zn6 -","6","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.1161","0.0694","","","0.1921","0.2336","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4515347","16.8016","0.0018","16.8016","0.0018","25.828","0.005","90","","90","","120","","6314.3","1.6","113","","113","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C31 H20 N2 O4 Zn -","- C31 H20 N2 O4 Zn -","- C186 H120 N12 O24 Zn6 -","6","0.5","","Zhao, Xiaoyu; Song, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long","Targeted Construction of Light-Harvesting Metal-Organic Frameworks Featuring Efficient Host-Guest Energy Transfer.","ACS applied materials & interfaces","2018","10","6","5633","5640","10.1021/acsami.7b17755","","","0.71073","MoKα","","0.1181","0.0824","","","0.2253","0.2472","","","","","","1.033","","","","has coordinates","225505","2020-10-21","18:00:00",""
"7020607","13.2746","0.0002","13.2746","0.0002","37.1754","0.0005","90","","90","","120","","5673.21","0.14","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C36 H24 Cr2 N6 O15 -","- C36 H24 Cr2 N6 O15 -","- C216 H144 Cr12 N36 O90 -","6","0.5","","Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica","Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14611","14624","10.1039/c2dt32249h","","","1.5418","CuKα","","","0.048","","","","0.146","","","","","","1.063","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7023086","19.098","0.002","19.098","0.002","12.6327","0.0018","90","","90","","120","","3990.3","0.8","293","2","293","2","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","","- Ge3 K6 O141 W36 -","- Ge3 K6 O141 W36 -","- Ge3 K6 O141 W36 -","1","0.0833333","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan","Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8512","8518","10.1039/c3dt50672j","","","0.71073","MoKα","","0.0437","0.0324","","","0.0685","0.0719","","","","","","1.057","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023088","19.1718","0.0016","19.1718","0.0016","12.584","0.002","90","","90","","120","","4005.7","0.8","293","2","293","2","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","","- K2 O46 Si W12 -","- K2 O46 Si W12 -","- K6 O138 Si3 W36 -","3","0.25","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan","Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8512","8518","10.1039/c3dt50672j","","","0.71073","MoKα","","0.0791","0.052","","","0.0983","0.1041","","","","","","1.055","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7100844","21.155","0.003","21.155","0.003","7.6632","0.0013","90","","90","","120","","2970","0.7","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C17.83 H8 F6 O4 Zn -","- C17.67 H8 F6 O4 Zn -","- C106.02 H48 F36 O24 Zn6 -","6","0.5","","Angeles Monge; Natalia Snejko; Enrique Gutierrez-Puebla; Manuela Medina; Concepcion Cascales; Marta Iglesias; Berta Gomez-Lor","One Teflon®-like Channelled Nanoporous Polymer with a Chiral and New Uninodal 4-connected Net. Sorption and catalityc properties.","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7107827","16.5528","0.0002","16.5528","0.0002","25.5559","0.0008","90","","90","","120","","6064.1","0.2","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H22 N4 O6 Zn -","- C32 H22 N4 O6 Zn -","- C192 H132 N24 O36 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0509","0.0438","","","0.1139","0.1175","","","","","","1.022","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107829","16.5764","0.0002","16.5764","0.0002","25.3058","0.0005","90","","90","","120","","6021.87","0.16","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H21 N4 O8 Zn -","- C32 H21 N4 O8 Zn -","- C192 H126 N24 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.1173","0.0705","","","0.1754","0.1908","","","","","","0.926","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107831","16.5764","0.0003","16.5764","0.0003","25.2504","0.0011","90","","90","","120","","6008.7","0.3","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H23 N5 O6 Zn -","- C32 H23 N5 O6 Zn -","- C192 H138 N30 O36 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0872","0.0661","","","0.1785","0.1979","","","","","","1.084","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107833","16.5597","0.0012","16.5597","0.0012","25.787","0.004","90","","90","","120","","6124","1.1","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H21 N5 O8 Zn -","- C32 H21 N5 O8 Zn -","- C192 H126 N30 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0786","0.0596","","","0.1544","0.162","","","","","","0.953","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107835","16.5097","0.0002","16.5097","0.0002","25.4661","0.0005","90","","90","","120","","6011.34","0.16","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C33 H21 N4 O8 Zn -","- C33 H21 N4 O8 Zn -","- C198 H126 N24 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0939","0.0794","","","0.2169","0.2301","","","","","","1.134","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7127327","19.8453","0.0007","19.8453","0.0007","9.5591","0.0007","90","","90","","120","","3260.3","0.3","120","2","120","2","","","","","","","","6","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C42 H44 Co N6 O10 Rb0.5 -","- C42 H44 Co N6 O10 Rb0.5006 -","- C126 H132 Co3 N18 O30 Rb1.5018 -","3","0.25","","Koyama, Shohei; Tanabe, Tappei; Takaishi, Shinya; Yamashita, Masahiro; Iguchi, Hiroaki","Preliminary chemical reduction for synthesizing a stable porous molecular conductor with neutral metal nodes.","Chemical communications (Cambridge, England)","2020","56","86","13109","13112","10.1039/d0cc03541f","","","0.71073","MoKα","","0.0966","0.0594","","","0.15","0.1706","","","","","","1.025","","","","has coordinates,has disorder","260607","2021-01-07","04:31:27",""
"7200655","11.641","0.001","11.641","0.001","18.756","0.002","90","","90","","120","","2201.2","0.4","298","2","298","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","tetraaquacobalt(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquacobalt(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 Co N6 O16 -","- C18 H34 Co N6 O16 -","- C54 H102 Co3 N18 O48 -","3","0.25","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0468","0.0326","","","0.0714","0.0771","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209781","15.9742","0.0003","15.9742","0.0003","19.4383","0.0006","90","","90","","120","","4295.63","0.17","293","2","293","2","","","","","","","","7","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C48 H58 Ce F6 N8 O14 P -","- C48 H58 Ce F6 N8 O14 P -","- C144 H174 Ce3 F18 N24 O42 P3 -","3","0.25","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.0614","0.0453","","","0.121","0.1314","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7222284","27.0118","0.0002","27.0118","0.0002","25.0254","0.0003","90","","90","","120","","15813.2","0.3","298","2","298","2","","","","","","","Synthesized","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C60 H130 Cu3 N6 O32 -","- C60 H90 Cu3 N6 O32 -","- C360 H540 Cu18 N36 O192 -","6","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","1.54184","CuKα","","0.084","0.0829","","","0.233","0.235","","","","","","1.285","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7236459","15.1834","0.0004","15.1834","0.0004","26.5282","0.0009","90","","90","","120","","5296.3","0.3","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H28 N5 O10 Tb -","- C32 H28 N5 O10 Tb -","- C192 H168 N30 O60 Tb6 -","6","0.5","","Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Du, Miao","Template-directed synthesis of a luminescent Tb-MOF material for highly selective Fe3+ and Al3+ ion detection and VOC vapor sensing","Journal of Materials Chemistry C","2017","5","9","2311","","10.1039/C6TC05349A","","","0.7107","MoKα","","0.0456","0.0381","","","0.1045","0.112","","","","","","1.124","","","","has coordinates,has disorder","235549","2020-10-21","18:00:00",""
"7241358","10.8248","0.0017","10.8248","0.0017","32.123","0.005","90","","90","","120","","3259.8","0.9","150","0.1","150","0.1","","","","","","","","8","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C18 H30 Cs N10 O7 Re6 Se8 Tb -","- C18 H28 Cs N10 O6 Re6 Se8 Tb -","- C54 H84 Cs3 N30 O18 Re18 Se24 Tb3 -","3","0.25","","Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.","Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions","CrystEngComm","2020","","","","","10.1039/D0CE01240H","","","0.71073","MoKα","","0.052","0.0448","","","0.1082","0.1108","","","","","","1.107","","","","has coordinates,has disorder","258211","2020-10-21","18:00:00",""
"8104279","10.4818","","10.4818","","11.175","","90","","90","","120","","1063.29","","","","","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","Li (Al Si O4)","","- Al Li O4 Si -","- Al Li O4 Si -","- Al12 Li12 O48 Si12 -","12","1","","Tscherry, V.; Schulz, H.; Laves, F.","Average and superstructure of beta-Eucryptite (Li Al Si O4). Part II. Superstructure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","175","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000367","10.497","","10.497","","11.2","","90","","90","","120","","1068.76","","","","296.15","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al12 Li12 O48 Si12 -","12","1","","Pillars, W. W.; Peacor, D. R.","The crystal structure of beta eucryptite as a function of temperature T = 23C","American Mineralogist","1973","58","","681","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000368","10.499","","10.499","","11.197","","90","","90","","120","","1068.88","","","","473.15","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al12 Li12 O48 Si12 -","12","1","","Pillars, W. W.; Peacor, D. R.","The crystal structure of beta eucryptite as a function of temperature T = 200 C","American Mineralogist","1973","58","","681","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000369","10.5","","10.5","","11.194","","90","","90","","120","","1068.8","","","","608.15","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al12 Li12 O48 Si12 -","12","1","","Pillars, W. W.; Peacor, D. R.","The crystal structure of beta eucryptite as a function of temperature T = 335 C","American Mineralogist","1973","58","","681","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000370","10.501","","10.501","","11.194","","90","","90","","120","","1069","","","","713.15","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al12 Li12 O48 Si12 -","12","1","","Pillars, W. W.; Peacor, D. R.","The crystal structure of beta eucryptite as a function of temperature T = 440 C","American Mineralogist","1973","58","","681","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000371","5.251","","5.251","","11.192","","90","","90","","120","","267.253","","","","757.15","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al3 Li3 O12 Si3 -","3","0.25","","Pillars, W. W.; Peacor, D. R.","The crystal structure of beta eucryptite as a function of temperature T = 484 C","American Mineralogist","1973","58","","681","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000372","5.251","","5.251","","11.189","","90","","90","","120","","267.181","","","","920.15","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al3 Li3 O12 Si3 -","3","0.25","","Pillars, W. W.; Peacor, D. R.","The crystal structure of beta eucryptite as a function of temperature T = 647 C","American Mineralogist","1973","58","","681","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""