# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T07:01:51+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4' 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
"1000480","8.629","0.002","8.629","0.002","5.648","0.004","90","","90","","90","","420.5","","","","","","","","","","","","","5","P 4","P 4","75","","Ammonium vanadium(IV) vanadium phosphorus(V) oxide (2/1/1.04/0.96/8)","","- H8 N2 O8 P0.96 V2.04 -","- H16 N2 O8 P0.96 V2.04 -","- H32 N4 O16 P1.92 V4.08 -","2","0.5","","Ninclaus, C; Retoux, R; Riou, D; Ferey, G","Synthesis and structure determination of the disordered V(V)-P compound (N H4)2 V(IV) O (V(V)2-x Px O7)","Journal of Solid State Chemistry","1996","122","","139","142","10.1006/jssc.1996.0093","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001160","17.6","0.05","17.6","0.05","3.905","","90","","90","","90","","1209.6","","","","","","","","","","","","","3","P 4","P 4","75","","Barium tantalum oxide (5.5/21.8/60)","","- Ba5.5 O60 Ta21.8 -","- Ba5.5 O60 Ta21.8 -","- Ba5.5 O60 Ta21.8 -","1","0.25","","Gasperin, M","Structure cristalline du bronze de tungstene: Ba O (Ta~2~ O~5~)~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","172","175","","","","","","","0.22","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010208","6.29","0.02","6.29","0.02","6.42","0.02","90","","90","","90","","254","","","","","","","","","","","","","4","P 4","P 4","75","","Platinum tetraamminetetrachloroplatinate(II)","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","1","0.25","","Vox, E G; Pinkard, F W; Wardlaw, W; Preston, G H","The Green Salt of Magnus, and Some Related Compounds","Journal of the Chemical Society","1932","1932","","2527","2534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010348","4.766","","4.766","","3.78","","90","","90","","90","","85.9","","","","","","","","","","","","","4","P 4","P 4","75","","Thallium thiocyanate","","- C N S Tl -","- C N S Tl -","- C N S Tl -","1","0.25","","Strada, M","Ricerche sulla struttura dei pseudo-alogeni e dei loro composti. - I. Tiocianato di tallio","Gazzetta Chimica Italiana","1934","64","","400","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1521986","8.9975","","8.9975","","18.212","","90","","90","","90","","1474.35","","","","","","","","","","","","","2","P 4","P 4","75","","","","- Ce Te2 -","- Ce Te2 -","- Ce16 Te32 -","16","4","","Stoewe, K.","Crystal structure and magnetic properties of Ce Te2","Journal of Alloys Compd.","2000","307","","101","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524179","9.888","","9.888","","9.121","","90","","90","","90","","891.783","","","","","","","","","","","","","4","P 4","P 4","75","","Ba3.685 Ru14.685 Cr7.315 O44","","- Ba3.685 Cr7.315 O44 Ru14.685 -","- Ba3.6848 Cr7.3152 O44 Ru14.6848 -","- Ba3.6848 Cr7.3152 O44 Ru14.6848 -","1","0.25","","Cadee, M.C.; Prodan, A.","Tripeling of the short axis in the Hollandite structure","Materials Research Bulletin","1979","14","","613","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","144862","2020-10-21","18:00:00",""
"1526697","8.968","","8.968","","18.119","","90","","90","","90","","1457.22","","","","","","","","","","","","","2","P 4","P 4","75","","","","- Pr Te2 -","- Pr Te1.998 -","- Pr16 Te31.968 -","16","4","","Stoewe, K.","Die Kristallstruktur von Pr Te2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","803","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529528","3.894","","3.894","","14.34","","90","","90","","90","","217.441","","","","","","","","","","","","","5","P 4","P 4","75","","Bi2 (Bi Pb) W O8 Cl","","- Bi3 Cl O8 Pb W -","- Bi3 Cl O8 Pb W -","- Bi3 Cl O8 Pb W -","1","0.25","","Ackerman, J.F.","The structures of Bi3 Pb W O8 Cl and Bi4 Nb O8 Cl and the evolution of the Bipox structure series","Journal of Solid State Chemistry","1986","62","","92","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530277","17.494","","17.494","","3.9442","","90","","90","","90","","1207.08","","","","","","","","","","","","","4","P 4","P 4","75","","Na3 Nb12 O31 F","","- F Na3 Nb12 O31 -","- F0.992 Na3 Nb12 O31.008 -","- F1.984 Na6 Nb24 O62.016 -","2","0.5","","Li, D.X.","The crystal structure of Na3 Nb13 O31 F","Journal of Solid State Chemistry","1988","73","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541811","8.585","","8.585","","12.313","","90","","90","","90","","907.495","","","","","","","","","","","","","3","P 4","P 4","75","","La5 B2 C6","","- C6 B2 La5 -","- C6 B2 La5 -","- C24 B8 La20 -","4","1","","Bauer, J.; Bars, O.","The crystal structure of the superconducting lanthanum borocarbide La5 B2 C6","Journal of the Less-Common Metals","1983","95","","267","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","173323","2020-10-21","18:00:00",""
"1545007","14.1242","0.0001","14.1242","0.0001","16.617","0.0001","90","","90","","90","","3314.98","0.04","100","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C52 H96 Cl2 Mg N4 O30 -","- C52 H60 Cl2 Mg N4 O30 -","- C104 H120 Cl4 Mg2 N8 O60 -","2","0.5","","Barker, Emily C.; Martin, Adam D.; Garvey, Christopher J.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Ogden, Mark I.; Becker, Thomas","Thermal annealing behaviour and gel to crystal transition of a low molecular weight hydrogelator.","Soft matter","2017","13","5","1006","1011","10.1039/c6sm02431a","","","1.54184","CuKα","","0.0833","0.0826","","","0.2396","0.2406","","","","","","1.091","","","","has coordinates,has disorder","191768","2020-10-21","18:00:00",""
"1551898","32.4066","0.0002","32.4066","0.0002","23.1808","0.0002","90","","90","","90","","24344.2","0.3","150","2","150","2","","","","","","","","7","P 4","P 4","75","","","","- C620 H1016 I8 K8 N160 O168 Si32 -","- C620 H1016 I8 K8 N160 O168 Si32 -","- C620 H1016 I8 K8 N160 O168 Si32 -","1","0.25","","David Gonzalez-Rodriguez; Joost L. J. van Dongen; Martin Lutz; Anthony L. Spek; Albertus P. H. J. Schenning; E. W. Meijer","G-quadruplex self-assembly regulated by Coulombic interactions","Nature Chemistry","2009","1","","151","155","10.1038/nchem.177","","","0.71073","MoKα","","0.0984","0.0724","","","0.1922","0.2065","","","","","","1.026","","","","has coordinates","216561","2020-10-21","18:00:00",""
"1553937","28.3195","0.0004","28.3195","0.0004","8.539","0.0002","90","","90","","90","","6848.2","0.2","150","2","150","2","","","","","","","","7","P 4","P 4","75","","","","- C33 H30 Cl2 N3 O4 P Ru -","- C33 H30 Cl2 N3 O4 P Ru -","- C264 H240 Cl16 N24 O32 P8 Ru8 -","8","2","","de Julián, E.; Menéndez-Pedregal, E.; Claros, M.; Vaquero, M.; Díez, J.; Lastra, E.; Gamasa, P.; Pizzano, A.","Practical synthesis of enantiopure benzylamines by catalytic hydrogenation or transfer hydrogenation reactions in isopropanol using a Ru-pybox catalyst","Organic Chemistry Frontiers","2018","5","5","841","","10.1039/C7QO00908A","","x-ray","1.5418","CuKα","","0.0515","0.0432","","","0.1131","0.1184","","","","","","1.062","","","","has coordinates","236180","2020-10-21","18:00:00",""
"2002664","8.869","0.0008","8.869","0.0008","5.42","0.002","90","","90","","90","","426.3","","","","","","","","","","","","","5","P 4","P 4","75","","Potassium copper vanadium oxide chloride (4/1/5/15/1)","","- Cl Cu K4 O15 V5 -","- Cl Cu K4 O15 V5 -","- Cl Cu K4 O15 V5 -","1","0.25","","Martin, F - D; Mueller-Buschbaum, Hk","Zur Kenntnis von K4 Cu V5 O15 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","1459","1462","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002752","9.097","0.001","9.097","0.001","5.331","0.002","90","","90","","90","","441.2","","","","","","","","","","","","","5","P 4","P 4","75","","Tetrapotassium cadmium 15-oxochloropentavanadate","","- Cd Cl K4 O15 V5 -","- Cd Cl K4 O15 V5 -","- Cd Cl K4 O15 V5 -","1","0.25","","Mueller-Buschbaum, Hk; Muenchau, S","Zur Kenntnis des ersten Alkalimetall-Cadmium-Halogeno-Oxovanadats: K4 Cd V5 O15 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","493","497","","","","","","","0.1429","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002827","9.1421","0.0013","9.1421","0.0013","5.525","0.0006","90","","90","","90","","461.8","","","","","","","","","","","","","5","P 4","P 4","75","","Tetrarubidium cadmium oxovanadium bis(divanadate) chloride","","- Cd Cl O15 Rb4 V5 -","- Cd Cl O15 Rb4 V5 -","- Cd Cl O15 Rb4 V5 -","1","0.25","","Mueller-Buschbaum, Hk; Mertens, B","Synthese und Roentgen-Strukturuntersuchung von Rb4 Cd (V O) (V2 O7)2 Cl und Tl4 Cd (V O) (V2 O7)2 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","453","456","","","","","","","0.0756","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002828","9.15","0.001","9.15","0.001","5.405","0.001","90","","90","","90","","452.5","","","","","","","","","","","","","5","P 4","P 4","75","","Tetrathallium cadmium oxovanadium bis(divanadate) chloride","","- Cd Cl O15 Tl4 V5 -","- Cd Cl O15 Tl4 V5 -","- Cd Cl O15 Tl4 V5 -","1","0.25","","Mueller-Buschbaum, Hk; Mertens, B","Synthese und Roentgen-Strukturuntersuchung von Rb4 Cd (V O) (V2 O7)2 Cl und Tl4 Cd (V O) (V2 O7)2 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","453","456","","","","","","","0.0759","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2101237","6.4835","0.0002","6.4835","0.0002","6.8217","0.0005","90","","90","","90","","286.76","","","","","","","","","","","","","2","P 4","P 4","","","","","- Nb Te4 -","- Nb3 Te12 -","- Nb24 Te96 -","8","2","SE0142","Kusz, J.; Böhm, H.","The low-temperature structure of NbTe~4~","Acta Crystallographica Section B","1994","50","6","649","655","10.1107/S0108768194005161","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"4033873","20.141","0.003","20.141","0.003","10.316","0.003","90","","90","","90","","4184.8","1.5","296","2","296","2","","","","","","","","7","P 4","P 4","75","","","","- C161 H181.5 F12 N16.5 Na2 O18 P2 -","- C161 H176 F12 N16.5 Na2 O18 P2 -","- C161 H176 F12 N16.5 Na2 O18 P2 -","1","0.25","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0577","0.0556","","","0.1679","0.1707","","","","","","1.052","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4104119","18.2715","0.0003","18.2715","0.0003","17.0912","0.0003","90","","90","","90","","5705.86","0.17","143","2","143","2","","","","","","","","4","P 4","P 4","75","","","","- C28 H6 Cu2 O11 -","- C28 H6 Cu2 O11 -","- C112 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.0697","0.0563","","","0.1473","0.1564","","","","","","0.936","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104120","18.2959","0.0003","18.2959","0.0003","17.1099","0.0003","90","","90","","90","","5727.37","0.17","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C28 H6 Cu2 O11 -","- C28 H6 Cu2 O11 -","- C112 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.065","0.0546","","","0.1519","0.1606","","","","","","1.02","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104121","18.0725","0.0009","18.0725","0.0009","17.1854","0.0011","90","","90","","90","","5613","0.5","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C26 H6 Cu2 O11 -","- C26 H6 Cu2 O11 -","- C104 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.1262","0.0644","","","0.1424","0.1614","","","","","","0.842","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104122","18.0648","0.0012","18.0648","0.0012","17.1132","0.0012","90","","90","","90","","5584.7","0.7","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C33 H6 Cu2 O11 -","- C33 H6 Cu2 O11 -","- C132 H24 Cu8 O44 -","4","1","","Liqing Ma; David J. Mihalcik; Wenbin Lin","Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage","Journal of the American Chemical Society","2009","131","","4610","4612","10.1021/ja809590n","","","1.54178","CuKα","","0.1295","0.0774","","","0.1899","0.2113","","","","","","1.012","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4115838","9.774","0.001","9.774","0.001","4.197","0.001","90","","90","","90","","400.94","0.11","293","2","293","2","","","","","","","","4","P 4","P 4","75","nickel bismuth iodide","nickel bismuth sulphoiodide","","- Bi8 I Ni8 S -","- Bi8 I Ni8 S -","- Bi8 I Ni8 S -","1","0.25","","Alexey I. Baranov; Lars A. Kloo; Andrei V. Olenev; Boris A. Popovkin; Anatolii I. Romanenko; Andrei V. Shevelkov","Unique Metallic Wires in a Novel Quasi-1D Compound. Synthesis, Crystal and Electronic Structure, and Properties of Ni8Bi8SI","Journal of the American Chemical Society","2001","123","","12375","12379","10.1021/ja0167001","","","0.71073","MoKα","","0.1097","0.0671","","","0.1594","0.178","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116640","18.831","0.002","18.831","0.002","13.075","0.002","90","0.01","90","0.01","90","0.01","4636.5","1","153","5","153","5","","","","","","","","6","P 4","P 4","75","","","","- C37 H52.5 Nd O6.5 Se4.5 Yb -","- C37 H50 Nd O6.5 Se4.5 Yb -","- C148 H200 Nd4 O26 Se18 Yb4 -","4","1","","Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan","Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2)","Journal of the American Chemical Society","1999","121","","11713","11719","10.1021/ja991437d","","","0.71073","MoKα","","0.1763","0.0811","","","0.2079","0.2332","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121401","30.4975","0.0019","30.4975","0.0019","13.3192","0.0009","90","","90","","90","","12388.2","1.4","90","2","90","2","","","","","","","","8","P 4","P 4","75","","","","- C211 H152 Dy F9 N40 O45 S3 Zn16 -","- C211 H152 Dy F9 N40 O45 S3 Zn16 -","- C422 H304 Dy2 F18 N80 O90 S6 Zn32 -","2","0.5","","Trivedi, Evan R.; Eliseeva, Svetlana V.; Jankolovits, Joseph; Olmstead, Marilyn M.; Petoud, Stéphane; Pecoraro, Vincent L.","Highly emitting near-infrared lanthanide ""encapsulated sandwich"" metallacrown complexes with excitation shifted toward lower energy.","Journal of the American Chemical Society","2014","136","4","1526","1534","10.1021/ja4113337","","","0.71073","MoKα","","0.0514","0.0415","","","0.1333","0.1402","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4127284","14.1506","0.0013","14.1506","0.0013","14.793","0.003","90","","90","","90","","2962.1","0.7","260.84","","260.84","","","","","","","","","5","P 4","P 4","75","","","","- C84 H68 O25 S4 Zn4 -","- C84 H68 O25 S4 Zn4 -","- C84 H68 O25 S4 Zn4 -","1","0.25","","Tan, Chunxia; Yang, Kuiwei; Dong, Jinqiao; Liu, Yuhao; Liu, Yan; Jiang, Jianwen; Cui, Yong","Boosting Enantioselectivity of Chiral Organocatalysts with Ultrathin Two-Dimensional Metal-Organic Framework Nanosheets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07633","","","0.71073","MoKα","","0.0993","0.0453","","","0.1062","0.1278","","","","","","0.925","","","","has coordinates","219555","2020-10-21","18:00:00",""
"4131588","21.5938","0.0004","21.5938","0.0004","17.8485","0.0004","90","","90","","90","","8322.6","0.3","200","2","200","2","","","","","","","","5","P 4","P 4","75","","27","","- C76 H58 Cu2 O8 P4 -","- C76 H58 Cu2 O8 P4 -","- C304 H232 Cu8 O32 P16 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.0941","0.0799","","","0.2013","0.2204","","","","","","1.066","","","","has coordinates","241765","2020-10-21","18:00:00",""
"4132808","16.644","0.002","16.644","0.002","13.854","0.002","90","","90","","90","","3837.9","0.9","293","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","1","0.25","","Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro","Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","38","12090","12101","10.1021/jacs.8b06733","","","0.8","Synchrotron","","0.0984","0.0879","","","0.2547","0.2703","","","","","","1.07","","","","has coordinates","242709","2020-10-21","18:00:00",""
"4327217","18.8838","0.001","18.8838","0.001","12.5586","0.0006","90","","90","","90","","4478.4","0.4","173","2","173","2","","","","","","","","7","P 4","P 4","75","","","","- C22 H50 F18 Mn2 N6 O4 P3 -","- C22 H50 Mn2 N6 O4 -","- C88 H200 Mn8 N24 O16 -","4","1","","Vladimir B. Romakh; Bruno Therrien; Georg Süss-Fink; Georgiy B. Shul'pin","Dinuclear Manganese Complexes Containing Chiral 1,4,7-Triazacyclononane-Derived Ligands and Their Catalytic Potential for the Oxidation of Olefins, Alkanes, and Alcohols","Inorganic Chemistry","2007","46","","1315","1331","10.1021/ic061950+","","","0.71073","MoKα","","0.1644","0.1185","","","0.2865","0.3169","","","","","","0.92","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4328414","18.8423","0.0019","18.8423","0.0019","21.921","0.003","90","","90","","90","","7782.7","1.5","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C32 H6 Cu2 O11 -","- C32 H6 Cu2 O11 -","- C128 H24 Cu8 O44 -","4","1","","David J. Mihalcik; Teng Zhang; Liqing Ma; Wenbin Lin","Highly Porous 4,8-Connected Metal-Organic Frameworks: Synthesis, Characterization, and Hydrogen Uptake","Inorganic Chemistry","2012","51","","2503","2508","10.1021/ic2024296","","","1.54178","CuKα","","0.1046","0.0635","","","0.1265","0.1402","","","","","","0.883","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328416","19.0289","0.0001","19.0289","0.0001","21.9107","0.0003","90","","90","","90","","7933.84","0.12","296","2","296","2","","","","","","","","4","P 4","P 4","75","","","","- C77 H12 Cu4 O22 -","- C77 H12 Cu4 O22 -","- C154 H24 Cu8 O44 -","2","0.5","","David J. Mihalcik; Teng Zhang; Liqing Ma; Wenbin Lin","Highly Porous 4,8-Connected Metal-Organic Frameworks: Synthesis, Characterization, and Hydrogen Uptake","Inorganic Chemistry","2012","51","","2503","2508","10.1021/ic2024296","","","1.54178","CuKα","","0.0688","0.0495","","","0.1026","0.1108","","","","","","0.808","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4341702","25.4682","0.0009","25.4682","0.0009","15.3628","0.0006","90","","90","","90","","9964.8","0.6","100","2","100","2","","","","","","","","5","P 4","P 4","75","","","","- C96 H128 Co4 Li8 O114 -","- C96 H128 Co4 Li8 O114 -","- C192 H256 Co8 Li16 O228 -","2","0.5","","Nedelko, Natalia; Kornowicz, Arkadiusz; Justyniak, Iwona; Aleshkevych, Pavlo; Prochowicz, Daniel; Krupiński, Piotr; Dorosh, Orest; Ślawska-Waniewska, Anna; Lewiński, Janusz","Supramolecular Control over Molecular Magnetic Materials: γ-Cyclodextrin-Templated Grid of Cobalt(II) Single-Ion Magnets","Inorganic Chemistry","2014","","","141119083628003","","10.1021/ic501870h","","","0.71073","MoKα","","0.1663","0.0973","","","0.1944","0.2426","","","","","","0.912","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4511104","15.9394","0.0004","15.9394","0.0004","6.0101","0.0003","90","","90","","90","","1526.95","0.09","293","2","293","2","","","","","","","","6","P 4","P 4","75","","","","- C26 H27 Cl N10 O8 Zn2 -","- C26 H27 Cl N10 O8 Zn2 -","- C52 H54 Cl2 N20 O16 Zn4 -","2","0.5","","Hang, Tian; Fu, Da-Wei; Ye, Qiong; Ye, Heng-Yun; Xiong, Ren-Gen; Huang, Songping D.","Tanklike Metal−Organic Framework Filled with Perchloric Acid and Its Dielectric−Ferroelectric Properties","Crystal Growth & Design","2009","9","5","2054","","10.1021/cg900100w","","","0.71073","MoKα","","0.0475","0.0375","","","0.0827","0.0857","","","","","","0.75","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511105","15.9503","0.0013","15.9503","0.0013","6.0016","0.0007","90","","90","","90","","1526.9","0.3","293","2","293","2","","","","","","","","7","P 4","P 4","75","","","","- C26 H26 Cl D N10 O8 Zn2 -","- C26 H26 Cl D N10 O8 Zn2 -","- C52 H52 Cl2 D2 N20 O16 Zn4 -","2","0.5","","Hang, Tian; Fu, Da-Wei; Ye, Qiong; Ye, Heng-Yun; Xiong, Ren-Gen; Huang, Songping D.","Tanklike Metal−Organic Framework Filled with Perchloric Acid and Its Dielectric−Ferroelectric Properties","Crystal Growth & Design","2009","9","5","2054","","10.1021/cg900100w","","","0.71073","MoKα","","0.063","0.0494","","","0.0859","0.0886","","","","","","1.085","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109257","22.0656","0.0006","22.0656","0.0006","15.273","0.0007","90","","90","","90","","7436.3","0.4","173","2","173","2","","","","","","","","8","P 4","P 4","75","","","","- C51 H59 Cl9 F6 N4 O4 Si Zn -","- C51 H41 Cl9 F6 N4 O4 Si Zn -","- C204 H164 Cl36 F24 N16 O16 Si4 Zn4 -","4","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.198","0.1136","","","0.4063","0.4329","","","","","","1.27","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109259","22.044","0.0015","22.044","0.0015","15.1513","0.0018","90","","90","","90","","7362.6","1.1","173","2","173","2","","","","","","","","8","P 4","P 4","75","","","","- C45 H49 Cl3 F6 N4 O8 Si Zn -","- C45 H49 Cl3 F6 N4 O8 Si Zn -","- C180 H196 Cl12 F24 N16 O32 Si4 Zn4 -","4","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.2082","0.0931","","","0.2261","0.2511","","","","","","1.041","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7112983","19.8632","0.0003","19.8632","0.0003","16.1639","0.0007","90","","90","","90","","6377.4","0.3","100","2","100","2","","","","","","","","8","P 4","P 4","75","[Rb@Cr7CoF8(piv)16]","","","- C80 H144 Co Cr7 F8 N0 O32 Rb -","- C80 H144 Co1.04 Cr7.04 F8 O32 Rb -","- C160 H288 Co2.08 Cr14.08 F16 O64 Rb2 -","2","0.5","","Faust, Thomas B.; Heath, Paul G.; Muryn, Christopher A.; Timco, Grigore A.; Winpenny, Richard E. P.","Caesium ion sequestration by a fluoro-metallocrown [16]-MC-8.","Chemical communications (Cambridge, England)","2010","46","34","6258","6260","10.1039/c0cc01188f","","","0.71073","MoKα","","0.1315","0.1058","","","0.2757","0.2914","","","","","","1.01","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7116740","33.2315","0.0004","33.2315","0.0004","18.2906","0.0003","90","","90","","90","","20198.9","0.5","130","","130","","","","","","","","","6","P 4","P 4","75","","","","- C47 H45 Br2 Fe N3 O -","- C47 H45 Br2 Fe N3 O -","- C752 H720 Br32 Fe16 N48 O16 -","16","4","","Ziqing Zuo; Lei Zhang; Xuebing Leng; Zheng Huang","Iron-catalyzed asymmetric hydrosilylation of ketones","Chem.Commun.","2015","51","","5073","","10.1039/C5cc00612K","","","1.54178","CuKα","","0.0978","0.0714","","","0.1873","0.2029","","","","","","1.081","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7125418","9.9221","0.0005","9.9221","0.0005","16.2619","0.0008","90","","90","","90","","1600.95","0.14","153","","153","","","","","","","","","4","P 4","P 4","75","","","","- C30 H38 B10 N2 -","- C30 H38 B10 N2 -","- C60 H76 B20 N4 -","2","0.5","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0668","0.0667","","","0.2079","0.208","","","","","","1.143","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7200679","13.266","0.004","13.266","0.004","5.3885","0.0017","90","","90","","90","","948.3","0.5","100","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C28 H28 Cl Cu N8 O4 -","- C28 H16 Cl Cu N8 O4 -","- C28 H16 Cl Cu N8 O4 -","1","0.25","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone","CrystEngComm","2009","11","5","746","","10.1039/b820087b","","","0.71073","MoKα","","0.0896","0.0869","","","0.231","0.2339","","","","","","1.104","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7211078","16.366","0.002","16.366","0.002","10.158","0.002","90","","90","","90","","2720.8","0.7","123","2","123","2","","","","","","","","6","P 4","P 4","75","","","","- C50 H72 Cu N10 O8 S2 -","- C50 H72 Cu N10 O8 S2 -","- C100 H144 Cu2 N20 O16 S4 -","2","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.710698","synchrotron","","0.2808","0.205","","","0.4817","0.5275","","","","","","1.55","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7245445","10.9897","0.0003","10.9897","0.0003","5.9946","0.0003","90","","90","","90","","723.99","0.05","293","2","293","2","","","","","","","","4","P 4","P 4","75","","","","- Al Li3 O9.5 P2 -","- Al Li3 O9.5 P2 -","- Al4 Li12 O38 P8 -","4","1","","Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V.","Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures","CrystEngComm","2022","","","","","10.1039/D2CE00994C","","","0.71073","MoKα","","0.0436","0.0429","","","0.1297","0.1325","","","","","","0.809","","","","has coordinates","277693","2022-09-06","22:30:43",""