# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T04:41:04+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -4 2 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
"1509030","5.7676","","5.7676","","10.8272","","90","","90","","90","","360.169","","","","","","","","","","","","","4","P -4 2 c","P -4 2c","112","","Silver indium germanium selenide (0.74/1/1/4)","","- Ag0.735 Ge In Se4 -","- Ag0.735 Ge In Se4 -","- Ag1.47 Ge2 In2 Se8 -","2","0.25","","Olekseyuk, I.D.; Krykhovets, O.V.; Gulay, L.D.","Crystal structure of the Ag0.735 In Ge Se4 compound","Journal of Alloys Compd.","2002","337","","182","185","10.1016/S0925-8388(01)01945-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1520109","6.24929","0.00003","6.24929","0.00003","12.49988","0.00009","90","","90","","90","","488.166","0.005","297","2","297","2","","","","","","","","3","P -4 2 c","P -4 2c","112","indium silver telluride","cadmium indium silvertelluride","","- Ag0.8 In2.4 Te4 -","- Ag0.8 In2.4 Te4 -","- Ag1.6 In4.8 Te8 -","2","0.25","","Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver","Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.","Inorganic chemistry","2015","54","12","5745","5756","10.1021/acs.inorgchem.5b00433","powder diffraction","x-ray","0.389687","synchrotron","","","","","","","","","0.029","1.8","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525943","5.7555","","5.7555","","11.524","","90","","90","","90","","381.741","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cu0.79 In2.04 Se3.6 -","- Cu0.79 In2.04 Se3.6 -","- Cu1.58 In4.08 Se7.2 -","2","0.25","","Martin de Vidales, J.L.; Charbonnier, H.; Rueda, F.; Diaz, R.; Merino, J.M.; Leon, M.","Structural properties of Cu In3 Se5 and influence of growth conditions","Japanese Journal of Applied Physics, Part 1","2000","39","","336","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525945","5.7533","","5.7533","","11.519","","90","","90","","90","","381.284","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cu0.78 In2.05 Se3.6 -","- Cu0.78 In2.05 Se3.6 -","- Cu1.56 In4.1 Se7.2 -","2","0.25","","Martin de Vidales, J.L.; Charbonnier, H.; Leon, M.; Diaz, R.; Merino, J.M.; Rueda, F.","Structural properties of Cu In3 Se5 and influence of growth conditions","Japanese Journal of Applied Physics, Part 1","2000","39","","336","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525947","5.7513","","5.7513","","11.519","","90","","90","","90","","381.019","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cu0.61 In2 Se3.6 -","- Cu0.61 In2 Se3.6 -","- Cu1.22 In4 Se7.2 -","2","0.25","","Martin de Vidales, J.L.; Charbonnier, H.; Diaz, R.; Leon, M.; Merino, J.M.; Rueda, F.","Structural properties of Cu In3 Se5 and influence of growth conditions","Japanese Journal of Applied Physics, Part 1","2000","39","","336","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525948","5.7506","","5.7506","","11.519","","90","","90","","90","","380.926","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cu0.65 In1.99 Se3.6 -","- Cu0.65 In1.99 Se3.6 -","- Cu1.3 In3.98 Se7.2 -","2","0.25","","Martin de Vidales, J.L.; Charbonnier, H.; Diaz, R.; Merino, J.M.; Leon, M.; Rueda, F.","Structural properties of Cu In3 Se5 and influence of growth conditions","Japanese Journal of Applied Physics, Part 1","2000","39","","336","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525949","5.7519","","5.7519","","11.52","","90","","90","","90","","381.132","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cu0.57 In1.977 Se3.6 -","- Cu0.57 In1.977 Se3.6 -","- Cu1.14 In3.954 Se7.2 -","2","0.25","","Martin de Vidales, J.L.; Charbonnier, H.; Rueda, F.; Merino, J.M.; Diaz, R.; Leon, M.","Structural properties of Cu In3 Se5 and influence of growth conditions","Japanese Journal of Applied Physics, Part 1","2000","39","","336","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525951","5.7553","","5.7553","","11.525","","90","","90","","90","","381.748","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cu0.78 In2.078 Se3.6 -","- Cu0.78 In2.078 Se3.6 -","- Cu1.56 In4.156 Se7.2 -","2","0.25","","Martin de Vidales, J.L.; Charbonnier, H.; Diaz, R.; Merino, J.M.; Leon, M.; Rueda, F.","Structural properties of Cu In3 Se5 and influence of growth conditions","Japanese Journal of Applied Physics, Part 1","2000","39","","336","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525998","5.7626","","5.7626","","11.536","","90","","90","","90","","383.082","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cu In1.93 Se3.5 -","- Cu In1.93 Se3.5 -","- Cu2 In3.86 Se7 -","2","0.25","","Merino, J.M.; Mahanty, S.; Leon, M.; Martin de Vidales, J.L.; Diaz, R.; Rueda, F.","Structural characterization of Cu In2 Se3.5, Cu In3 Se5 and Cu In5 Se8 compounds","Thin Solid Films","2000","361","","70","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526000","5.7555","","5.7555","","11.5303","","90","","90","","90","","381.95","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cu0.79 In2.33 Se3.6 -","- Cu0.79 In2.33 Se3.6 -","- Cu1.58 In4.66 Se7.2 -","2","0.25","","Merino, J.M.; Rueda, F.; Mahanty, S.; Martin de Vidales, J.L.; Diaz, R.; Leon, M.","Structural characterization of Cu In2 Se3.5, Cu In3 Se5 and Cu In5 Se8 compounds","Thin Solid Films","2000","361","","70","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529630","10.6226","","10.6226","","10.5506","","90","","90","","90","","1190.53","","","","","","","","","","","","","6","P -4 2 c","P -4 2c","112","","Cu9.36 (Zn0.8 Cu0.2) (Ge1.46 As0.16) Fe3.56 S16","","- As0.16 Cu9.56 Fe3.56 Ge1.46 S16 Zn0.8 -","- As0.162 Cu9.56 Fe3.56 Ge1.458 S16 Zn0.8 -","- As0.324 Cu19.12 Fe7.12 Ge2.916 S32 Zn1.6 -","2","0.25","","Bernstein, L.R.; Reichel, D.G.; Merlino, S.","Renierite crystal structure refined from Rietveld analysis of powder neutron-diffrection data","American Mineralogist","1989","74","","1177","1181","","","","","","","","","","","","","","","","","","","","","","has coordinates","154107","2020-10-21","18:00:00",""
"1540093","5.755","","5.755","","11.52","","90","","90","","90","","381.543","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cu0.79 In0.78 Se1.8 -","- Cu0.79 In0.78 Se1.8 -","- Cu3.16 In3.12 Se7.2 -","4","0.5","","Hoenle, W.; Kuehn, G.; Boehnke, U.C.","Crystal structures of two quenched Cu-In-Se phases","Crystal Research and Technology","1988","23","","1347","1354","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1550904","13.841","0.0008","13.841","0.0008","8.7594","0.0006","90","","90","","90","","1678.07","0.18","100","2","100","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C16 H16 Cu I N6 -","- C16 H16 Cu I N6 -","- C64 H64 Cu4 I4 N24 -","4","0.5","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7749","synchrotron","","0.0484","0.0458","","","0.1091","0.1101","","","","","","1.256","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1570512","18.6227","0.0004","18.6227","0.0004","90.614","0.003","90","","90","","90","","31425.4","1.4","220","2","220","2","","","","","","","","5","P -4 2 c","P -4 2c","112","M1_CB[8]","M1_CB[8]","","- C160 H150 I4 N68 O32 -","- C160 H150 I3.999 N68 O32 -","- C640 H600 I15.996 N272 O128 -","4","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","x-ray","0.71073","MoKα","","0.1406","0.088","","","0.2464","0.2812","","","","","","1.049","","","","has coordinates,has disorder","289418","2024-02-04","11:31:46",""
"2107218","3.8218","","3.8218","","7.9237","","90","","90","","90","","115.735","","","","","","","","","","","","","3","P -4 2 c","P -4 2c","112","","La B2 C2","","- C2 B2 La -","- C2 B2 La -","- C4 B4 La2 -","2","0.25","","Bauer, J.; Bars, O.","The ordering of boron and carbon atoms in the La B2 C2 structure","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1540","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4110964","5.4119","0.0004","5.4119","","10.2007","0.0017","90","","90","","90","","298.76","0.05","288","","288","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Cl4 Cu Ga -","- Cl4 Cu Ga -","- Cl8 Cu2 Ga2 -","2","0.25","","Michael D. Capracotta; Roger M. Sullivan; James D. Martin","Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene","Journal of the American Chemical Society","2006","128","","13463","13473","10.1021/ja063172q","powder diffraction","x-ray","0.92137","","","","","","","","","0.39704","","30.81","","","","","","","has coordinates,has Fobs","178880","2020-10-21","18:00:00",""
"4119358","20.554","0.008","20.554","0.008","40.27","0.02","90","","90","","90","","17013","13","100","2","100","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C332 H308 N68 Ni8 O52 -","- C312 H264 N52 Ni8 O12 -","- C624 H528 N104 Ni16 O24 -","2","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","","","0.6889","synchrotron","","0.1612","0.1425","","","0.3646","0.3816","","","","","","1.372","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4131666","30.926","0.004","30.926","0.004","35.157","0.007","90","","90","","90","","33625","9","298","2","298","2","","","","","","","","5","P -4 2 c","P -4 2c","112","ST-3","ST-3","","- C44 H26.67 N8 O13 Zn4 -","- C44 H26.6667 N8 O13 Zn4 -","- C264 H160 N48 O78 Zn24 -","6","0.75","","Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao","Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","38","13300","13303","10.1021/jacs.7b08347","","","0.82651","Synchrotron","","0.0462","0.0382","","","0.1183","0.128","","","","","","1.005","","","","has coordinates","241839","2020-10-21","18:00:00",""
"4318145","16.0682","0.0004","16.0682","0.0004","18.719","0.0006","90","","90","","90","","4833","0.2","193","2","193","2","","","","","","","","6","P -4 2 c","P -4 2c","112","","","","- C64 H88 Cl3 Gd N16 O24 -","- C64 H84 Cl3 Gd N16 O24 -","- C128 H168 Cl6 Gd2 N32 O48 -","2","0.25","","Christophe Lescop; Elie Belorizky; Dominique Luneau; Paul Rey","Synthesis, Structures, and Magnetic Properties of a Series of Lanthanum(III) and Gadolinium(III) Complexes with Chelating Benzimidazole-Substituted Nitronyl Nitroxide Free Radicals. Evidence for Antiferromagnetic GdIII-Radical Interactions","Inorganic Chemistry","2002","41","","3375","3384","10.1021/ic0200038","","","0.71073","MoKα","","0.1082","0.0732","","0.2218","0.2051","","","","1.427","1.582","1.582","","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4322443","16.0682","0.0004","16.0682","0.0004","18.719","0.0006","90","","90","","90","","4833","0.2","193","2","193","2","","","","","","","","6","P -4 2 c","P -4 2c","112","","","","- C64 H88 Cl3 Gd N16 O24 -","- C64 H84 Cl3 Gd N16 O24 -","- C128 H168 Cl6 Gd2 N32 O48 -","2","0.25","","Christophe Lescop; Dominique Luneau; Elie Belorizky; Pascal Fries; Maurice Guillot; Paul Rey","Unprecedented Antiferromagnetic Metal-Ligand Interactions in Gadolinium-Nitroxide Derivatives","Inorganic Chemistry","1999","38","","5472","5473","10.1021/ic990996i","","","0.71073","MoKα","","0.1082","0.0732","","0.2218","0.2051","","","","1.427","1.582","1.582","","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4322712","5.7321","0.0002","5.7321","0.0002","10.6046","0.0008","90","","90","","90","","348.44","0.03","293","","293","","","","","","","","","3","P -4 2 c","P -4 2c","112","","","","- Al Br4 Cu -","- Al Br4 Cu -","- Al2 Br8 Cu2 -","2","0.25","","James D. Martin; Brian R. Leafblad; Roger M. Sullivan; Paul D. Boyle","α- and β-CuAlCl4: Framework Construction Using Corner-Shared Tetrahedral Metal-Halide Building Blocks","Inorganic Chemistry","1998","37","","1341","1346","10.1021/ic971148v","","","0.71073","MolybdenumKα","","0.046","0.046","","0.047","0.047","","","","","1.57","1.57","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510659","8.81048","0.00029","8.81048","0.00029","7.34274","0.00025","90","","90","","90","","569.98","0.03","298","","298","","","","","","","","","4","P -4 2 c","P -4 2c","112","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-co(ii)","","- C10 H12 Co N4 -","- C10 H12 Co N4 -","- C20 H24 Co2 N8 -","2","0.25","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510662","8.81181","0.00053","8.81181","0.00053","7.36675","0.00047","90","","90","","90","","572.01","0.06","298","","298","","","","","","","","","4","P -4 2 c","P -4 2c","112","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-zn(ii)","","- C10 H12 N4 Zn -","- C10 H12 N4 Zn -","- C20 H24 N8 Zn2 -","2","0.25","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"7052523","14.2645","0.0007","14.2645","0.0007","18.4532","0.0009","90","","90","","90","","3754.8","0.3","173","2","173","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C72 H96 Br N O22 -","- C72 H74 Br N O22 -","- C144 H148 Br2 N2 O44 -","2","0.25","","Mansikkamäki, Heidi; Nissinen, Maija; Schalley, Christoph A.; Rissanen, Kari","Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations","New Journal of Chemistry","2003","27","1","88","","10.1039/b207875a","","","0.71073","MoKα","","0.1313","0.0878","","","0.2231","0.2541","","","","","","1.068","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7106382","10.9909","0.001","10.9909","0.001","10.991","","90","","90","","90","","1327.71","0.17","100","2","100","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","tetrakis(m3-4-hydroxypyridine)-tetra-lithium","","- C20 H16 Li4 N4 O5 -","- C20 H16 Li4 N4 O5 -","- C40 H32 Li8 N8 O10 -","2","0.25","","Xiang Zhao; Tao Wu; Shou-Tian Zheng; Le Wang; Xianhui Bu; Pingyun Feng","A zeolitic porous lithium - organic framework constructed from cubane clusters","Chem.Commun.","2011","47","","5536","","10.1039/c1cc11245g","","","0.71073","MoKα","","0.1059","0.0942","","","0.1859","0.1908","","","","","","1.176","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7110245","14.6663","0.0003","14.6663","0.0003","24.9609","0.0011","90","","90","","90","","5369.1","0.3","185","2","185","2","","","","","","","","7","P -4 2 c","P -4 2c","112","","","","- C10.8 H25.2 Ga0.8 N1.8 O2.8 S6.5 Sn2.7 -","- Ga0.807 O S6.5 Sn2.693 -","- Ga6.456 O8 S52 Sn21.544 -","8","1","","Xiaohui Han; Zhenqing Wang; Dan Liu; Jin Xu; Yongxin Liu; Cheng Wang","Co-assembly of a three-dimensional open framework sulfide with a novel linkage between an oxygen-encapsulated T3 cluster and a supertetrahedral T2 cluster","Chem.Commun.","2014","50","","796","","10.1039/c3cc45439h","","","0.71073","MoKα","","0.0612","0.0516","","","0.1517","0.1586","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7125882","25.958","0.003","25.958","0.003","28.548","0.008","90","","90","","90","","19236","6","158","2","158.01","","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C87 H117 N16 O10 P -","- C87 H117 N16 O10 P -","- C696 H936 N128 O80 P8 -","8","1","","Fu, Jin; Zheng, Bo; Zhang, Huizheng; Zhao, Yanxia; Zhang, Dan; Zhang, Wenyao; Yang, Xiao-Juan; Wu, Biao","Chirality transcription in the anion-coordination-driven assembly of tetrahedral cages.","Chemical communications (Cambridge, England)","2020","56","16","2475","2478","10.1039/c9cc09752j","","","1.54178","CuKα","","0.068","0.0674","","","0.1941","0.1955","","","","","","1.031","","","","has coordinates","248819","2020-10-21","18:00:00",""
"7208796","10.0372","0.0009","10.0372","0.0009","17.607","0.004","90","","90","","90","","1773.8","0.5","293","2","293","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C25 H32 Ag2 N6 O14 -","- C25 H32 Ag2 N6 O13 -","- C50 H64 Ag4 N12 O26 -","2","0.25","","Yu, Wen-Jing; Yu, Fan; Li, Bao; Zhang, Tianle","Two novel interpenetrating silver(i) coordination architectures modeled by semi-rigid tetra-pyridinate ligands","CrystEngComm","2012","14","24","8396","","10.1039/c2ce26009c","","","0.71073","MoKα","","0.0851","0.0789","","","0.1966","0.2046","","","","","","1.148","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7215835","10.7454","0.0001","10.7454","0.0001","14.4927","0.0005","90","","90","","90","","1673.38","0.06","173","2","173","2","","","","","","","","4","P -4 2 c","P -4 2c","112","","","","- C7 H4 In0.25 O2 -","- C7 H4 In0.25 O2 -","- C56 H32 In2 O16 -","8","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations","CrystEngComm","2014","16","32","7434","","10.1039/C4CE00712C","","","1.54184","CuKα","","0.0577","0.0511","","","0.1688","0.1815","","","","","","1.118","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7220629","12.671","0.0008","12.671","0.0008","13.1674","0.0009","90","","90","","90","","2114.1","0.2","","","295","","","","","","","","","7","P -4 2 c","P -4 2c","112","Ge-BEC as synthesized","","","- C22 H60.4 F0.4 Ge5.1 N6 O66 Si26.9 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","1","0.125","","Smeets, S.; Koch, L.; Mascello, N.; Sesseg, J.; McCusker, L. B.; Hernández-Rodríguez, M.; Mitchell, S.; Pérez-Ramírez, J.","Structure analysis of a BEC-type germanosilicate zeolite including the location of the flexible organic cations in the channels","CrystEngComm","2015","17","26","4865","","10.1039/C5CE00731C","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221296","5.45099","","5.45099","","26.2932","","90","","90","","90","","781.258","","","","","","","","","","","","","4","P -4 2 c","P -4 2c","112","","Sr2 (Fe O3) F","","- F Fe O3 Sr2 -","- F Fe O3 Sr2 -","- F8 Fe8 O24 Sr16 -","8","1","","Hector, A.L.; Hutchings, J.; Needs, R.L.; Thomas, M.F.; Weller, M.T.","Structural and Moessbauer study of Sr2 Fe O3 X (X= F, Cl, Br) and the magnetic structure of Sr2 Fe O3 F","Journal of Materials Chemistry","2001","11","","527","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7238854","12.3883","0.0003","12.3883","0.0003","14.5923","0.0004","90","","90","","90","","2239.48","0.1","130","2","130","2","","","","","","","","8","P -4 2 c","P -4 2c","112","","","","- C28 H42 B Cu2 F4 N8 Na O23 -","- C28 H28 B Cu2 F4 N8 Na O23 -","- C56 H56 B2 Cu4 F8 N16 Na2 O46 -","2","0.25","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0624","0.0569","","","0.1636","0.1715","","","","","","1.073","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7702392","22.9116","0.0009","22.9116","0.0009","18.5203","0.0007","90","","90","","90","","9722.1","0.7","190","2","190","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C112 H248 I28 N8 Pb10 -","- C112 H248 I28 N8 Pb10 -","- C224 H496 I56 N16 Pb20 -","2","0.25","","Krautscheid, Harald; Vielsack, Frieder","Discrete and polymeric iodoplumbates with Pb3I10 building blocks: [Pb3I10]4−, [Pb7I22]8−, [Pb10I28]8−, 1\ιnfty [Pb3I10]4− and 2∞[Pb7I18]4−","Journal of the Chemical Society, Dalton Transactions","1999","","16","2731","","10.1039/a902640a","","","0.71069","MoKa","","0.0325","0.0278","","0.063","0.0605","","","","1.033","1.042","1.042","","","","","has coordinates,has disorder","243847","2020-10-21","18:00:00",""
"9001250","10.6226","","10.6226","","10.5506","","90","","90","","90","","1190.53","","","","","","","","","","","","","5","P -4 2 c","P -4 2c","112","","","Renierite","- Cu9.36 Fe3.56 Ge1.62 S16 Zn -","- Cu9.36 Fe3.56 Ge1.62 S16 Zn -","- Cu18.72 Fe7.12 Ge3.24 S32 Zn2 -","2","0.25","","Bernstein, L. R.; Reichel, D. G.; Merlino, S.","Renierite crystal structure refined from Rietveld analysis of powder neutron-diffrection data","American Mineralogist","1989","74","","1177","1181","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9012063","5.53","","5.53","","11.049","","90","","90","","90","","337.888","","","","","","","","","","","","Synthetic","3","P -4 2 c","P -4 2c","112","","","Eskebornite","- Cu Fe Se2 -","- Cu Fe Se2 -","- Cu4 Fe4 Se8 -","4","0.5","","Delgado, J. M.; Diaz de Delgado, G.; Quintero, M.; Woolley, J. C.","The crystal structure of copper iron selenide, CuFeSe2","Materials Research Bulletin","1992","27","","367","373","10.1016/0025-5408(92)90066-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""