# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T17:14:49+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42 21 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
"1511227","4.6435","","4.6435","","5.2592","","90","","90","","90","","113.399","","","","","","","","","","","","","3","P 42 21 2","P 4n 2n","94","","Li3 (B N2)","","- B Li3 N2 -","- B Li3 N2 -","- B2 Li6 N4 -","2","0.25","","Koizumi, M.; Yamane, H.; Kikkawa, S.","High- and low-temperature phases of lithium boron nitride, Li3 B N2: Preparation, phase relation, crystal structure, and ionic conductivity","Journal of Solid State Chemistry","1987","71","","1","11","10.1016/0022-4596(87)90135-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517910","15.4159","0.00012","15.4159","0.00012","15.6014","0.0002","90","","90","","90","","3707.67","0.06","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Zheng, Chenguang; Yao, Weijun; Zhang, Yucheng; Ma, Cheng","Chiral Spirooxindole-Butenolide Synthesis through Asymmetric N-Heterocyclic Carbene-Catalyzed Formal (3 + 2) Annulation of 3-Bromoenals and Isatins.","Organic letters","2014","16","19","5028","5031","10.1021/ol502365r","","","1.54184","CuKα","","0.0524","0.0505","","","0.1498","0.1529","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1528168","7.345","","7.345","","10.4","","90","","90","","90","","561.07","","","","","","","","","","","","","3","P 42 21 2","P 4n 2n","94","","Na5 Fe3 F14","","- F14 Fe3 Na5 -","- F14 Fe3 Na5 -","- F28 Fe6 Na10 -","2","0.25","","Vlasse, M.; Menil, F.; Moriliere, C.; Dance, J.M.; Tressaud, A.; Portier, J.","Etude cristallographique et par effet moessbauer du fluorure ferrimagnetique Na5 Fe3 F14-gamma","Journal of Solid State Chemistry","1976","17","","291","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","150122","2020-10-21","18:00:00",""
"1554749","32.9899","0.0005","32.9899","0.0005","14.3593","0.0004","90","","90","","90","","15627.7","0.5","120.01","0.1","120.01","0.1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C152 H120 B4 F16 N8 Pd2 -","- C152 H120 B4 F16 N8 Pd2 -","- C608 H480 B16 F64 N32 Pd8 -","4","0.5","","Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.","Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands","Organic Chemistry Frontiers","2019","6","8","1226","","10.1039/C9QO00155G","","x-ray","1.54184","CuKα","","0.0997","0.0861","","","0.2445","0.2598","","","","","","1.031","","","","has coordinates,has disorder","238098","2020-10-21","18:00:00",""
"1558019","9.9478","0.0003","9.9478","0.0003","5.4077","0.0003","90","","90","","90","","535.14","0.04","100","2","100","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C8 H16 Be N6 -","- C8 H16 Be N6 -","- C16 H32 Be2 N12 -","2","0.25","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0443","0.0369","","","0.0954","0.0996","","","","","","1.083","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558057","19.5696","0.0002","19.5696","0.0002","26.6481","0.0004","90","","90","","90","","10205.4","0.2","100.01","0.11","100.01","0.11","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C80 H64 Co4 N16 O14 -","- C80 H64 Co4 N16 O14 -","- C320 H256 Co16 N64 O56 -","4","0.5","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.71073","MoKα","","0.0503","0.0447","","","0.1135","0.1165","","","","","","1.03","","","","has coordinates,has disorder","252855","2020-10-21","18:00:00",""
"1565992","23.4286","0.0004","23.4286","0.0004","24.2838","0.0005","90","","90","","90","","13329.4","0.4","120","","120","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C80 H199 K4 O99.5 P2 -","- C80 H107 K3 O99.5 P2 -","- C320 H428 K12 O398 P8 -","4","0.5","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0893","0.0826","","","0.2328","0.2433","","","","","","1.047","","","","has coordinates,has disorder","273345","2022-03-04","22:05:01",""
"1565993","23.5333","0.0018","23.5333","0.0018","24.406","0.003","90","","90","","90","","13516","2","150","","150","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C81 H195 K4 O96.5 P2 -","- C81 H101 K2.9999 O96.5012 P2.0006 -","- C324 H404 K11.9996 O386.005 P8.0024 -","4","0.5","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0906","0.087","","","0.245","0.2548","","","","","","1.21","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"2003008","10.386","0.001","10.386","0.001","11.742","0.002","90","","90","","90","","1266.6","0.4","","","9","1","","","","","","","","5","P 42 21 2","P 4n 2n","","","","","- C8 H24 P4 S8 Th -","- C8 H24 P4 S8 Th -","- C16 H48 P8 S16 Th2 -","2","0.25","","Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.","Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures","Acta Crystallographica, Section B: Structural Science","1999","55","3","363","374","10.1107/s0108768198010398","","","0.5603","AgKα","","","","","","","","","","","","","","","","","has coordinates","249482","2020-10-21","18:00:00",""
"2003009","10.42","0.004","10.42","0.004","11.784","0.008","90","","90","","90","","1279","1","","","28","5","","","","","","","","5","P 42 21 2","P 4n 2n","","","","","- C8 H24 P4 S8 Th -","- C8 H24 P4 S8 Th -","- C16 H48 P8 S16 Th2 -","2","0.25","","Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.","Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures","Acta Crystallographica, Section B: Structural Science","1999","55","3","363","374","10.1107/s0108768198010398","","","0.394","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","249482","2020-10-21","18:00:00",""
"2003010","10.42","0.004","10.42","0.004","11.784","0.008","90","","90","","90","","1279","1","","","28","5","","","","","","","","5","P 42 21 2","P 4n 2n","","","","","- C8 H24 P4 S8 Th -","- C8 H24 P4 S8 Th -","- C16 H48 P8 S16 Th2 -","2","0.25","","Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.","Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures","Acta Crystallographica, Section B: Structural Science","1999","55","3","363","374","10.1107/s0108768198010398","","","0.394","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","249482","2020-10-21","18:00:00",""
"2003011","10.386","0.001","10.386","0.001","11.742","0.002","90","","90","","90","","1266.6","0.4","","","","","","","","","","","","5","P 42 21 2","P 4n 2n","","","","","- C8 H24 P4 S8 Th -","- C8 H24 P4 S8 Th -","- C16 H48 P8 S16 Th2 -","2","0.25","","Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.","Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures","Acta Crystallographica, Section B: Structural Science","1999","55","3","363","374","10.1107/s0108768198010398","","","0.5603","AgKα","","","","","","","","","","","","","","","","","has coordinates","249482","2020-10-21","18:00:00",""
"2013444","9.7411","0.0008","9.7411","0.0008","17.108","0.002","90","","90","","90","","1623.4","0.3","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","bis(2,6-bis(Benzimidazol-2-yl)pyridine)-zinc(ii)","","- C38 H24 N10 Zn -","- C38 H24 N10 Zn -","- C76 H48 N20 Zn2 -","2","0.25","GA1020","Miguel Angel Harvey; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinato-κ<i>N</i>]zinc(II)","Acta Crystallographica Section C","2003","59","7","m283","m285","10.1107/S0108270103011752","","","0.71073","MoKα","","0.1159","0.0376","","","0.0688","0.078","","","","","","0.862","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2101133","4.6863","0.0007","4.6863","0.0007","9.191","0.002","90","","90","","90","","201.8","0.2","","","","","","","","","","","","3","P 42 21 2","P 4n 2n","","","","","- F6 Li2 Mo -","- F6 Li2 Mo -","- F12 Li4 Mo2 -","2","0.25","SH0038","Baur, W. H.","Space group of the trirutile type structure of Li~2~MoF~6~","Acta Crystallographica Section B","1994","50","2","141","146","10.1107/S0108768193011978","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2107955","8.8829","0.0003","8.8829","0.0003","12.7008","0.0004","90","","90","","90","","1002.17","0.06","293","","293","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C0.925 H5.55 I2.982 N0.925 O0.088 Pb -","- C0.924 H5.544 I2.98 N0.924 O0.088 Pb -","- C3.696 H22.176 I11.92 N3.696 O0.352 Pb4 -","4","0.5","DK5045","Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre","CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions","Acta Crystallographica Section B","2016","72","5","716","722","10.1107/S2052520616010428","","","0.68362","synchrotron","","0.0756","0.0411","","","0.058","0.0676","","","","","","1.52","","","","has coordinates,has Fobs","186964","2020-10-21","18:00:00",""
"2212834","9.715","0.0006","9.715","0.0006","17.154","0.002","90","","90","","90","","1619","0.2","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","Bis{2-[6-(1H-benzimidazol-2-yl-κN^3^)-2-pyridyl-κN]benzimidazolido- κN}cobalt(II)","","- C38 H24 Co N10 -","- C38 H24 Co N10 -","- C76 H48 Co2 N20 -","2","0.25","CV2203","Zhang, Shu-Hua; Zeng, Ming-Hua; Liang, Hong","Bis{2-[6-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)-2-pyridyl-κ<i>N</i>]benzimidazolido-κ<i>N</i>}cobalt(II)","Acta Crystallographica Section E","2007","63","4","m1055","m1056","10.1107/S1600536807010471","","","0.71073","MoKα","","0.1101","0.0447","","","0.0504","0.0545","","","","","","0.948","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2226151","17.8377","0.0007","17.8377","0.0007","5.127","0.0001","90","","90","","90","","1631.33","0.1","120","2","120","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","1,3-Bis(4-bromophenyl)imidazolium chloride dihydrate","","- C15 H15 Br2 Cl N2 O2 -","- C15 H15 Br2 Cl N2 O2 -","- C60 H60 Br8 Cl4 N8 O8 -","4","0.5","HB5456","Garden, Simon J.; Gama, Paola E.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.; Howie, R. Alan","1,3-Bis(4-bromophenyl)imidazolium chloride dihydrate","Acta Crystallographica Section E","2010","66","6","o1438","o1439","10.1107/S1600536810018581","","","0.71073","MoKα","","0.04","0.032","","","0.071","0.075","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"4020039","15.627","0.003","15.627","0.003","9.717","0.003","90","","90","","90","","2373","0.9","173","2","173","2","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C50 H34 I6 -","- C50 H34 I6 -","- C100 H68 I12 -","2","0.25","","Kenji Kobayashi; Norifumi Kobayashi; Masahiro Ikuta; Bruno Therrien; Shigeru Sakamoto; Kentaro Yamaguchi","","Journal of Organic Chemistry","2005","70","","749","752","10.1021/jo048521i","","","0.71073","MoKα","","0.1055","0.0587","","","0.1524","0.197","","","","","","1.069","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4026749","7.7653","0.0005","7.7653","0.0005","17.0129","0.0012","90","","90","","90","","1025.88","0.12","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C16 H32 Br2 Mg O4 -","- C16 H32 Br2 Mg O4 -","- C32 H64 Br4 Mg2 O8 -","2","0.25","","Jacob W. Clary; Terry J. Rettenmaier; Rachel Snelling; Whitney Bryks; Jesse Banwell; W. Todd Wipke; Bakthan Singaram","Hydride as a Leaving Group in the Reaction of Pinacolborane with Halides under Ambient Grignard and Barbier Conditions. One-Pot Synthesis of Alkyl, Aryl, Heteroaryl, Vinyl, and Allyl Pinacolboronic Esters","Journal of Organic Chemistry","2011","76","","9602","9610","10.1021/jo201093u","","","0.71073","MoKα","","0.0202","0.0179","","","0.0416","0.0424","","","","","","1.081","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4077330","18.5555","0.0004","18.5555","0.0004","20.0822","0.0004","90","","90","","90","","6914.4","0.3","150","2","150","2","","","","","","","","9","P 42 21 2","P 4n 2n","94","","","","- C59 H46 B2 Cl2 F8 N2 O6 P4 Ru2 -","- C59 H46 B2 Cl2 F8 N2 O6 P4 Ru2 -","- C236 H184 B8 Cl8 F32 N8 O24 P16 Ru8 -","4","0.5","","Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A.","Synthesis and Reactivity of a Diruthenium Diazoalkane Complex","Organometallics","2001","20","16","3500","","10.1021/om0102293","","","0.71073","MoKα","","0.098","0.0824","","","0.2251","0.2377","","","","","","1.064","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00",""
"4102837","18.1","0.006","18.1","0.006","15.019","0.008","90","","90","","90","","4920","3","174","2","174","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C38 H80 Mo P4 Pt2 Si2 -","- C38 H80 Mo P4 Pt2 Si2 -","- C152 H320 Mo4 P16 Pt8 Si8 -","4","0.5","","Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki","Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes","Journal of the American Chemical Society","2010","132","","11343","11349","10.1021/ja1049548","","","0.71073","MoKα","","0.0354","0.0288","","","0.0659","0.0702","","","","","","1.148","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108269","15.3277","0.0006","15.3277","0.0006","24.322","0.0019","90","","90","","90","","5714.2","0.5","153","2","153","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","MOF-222","","","- C36 H44.38 Cu2 O18.19 -","- C36 H36 Cu2 O18.79 -","- C144 H144 Cu8 O75.16 -","4","0.5","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.0793","0.069","","","0.2135","0.2261","","","","","","1.088","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108526","16.6701","0.0004","16.6701","0.0004","33.7498","0.0011","90","","90","","90","","9378.8","0.4","103","2","103","2","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C74 H150 Si16 -","- C74 H150 Si16 -","- C296 H600 Si64 -","4","0.5","","Takahiro Sasamori; Koji Hironaka; Yusuke Sugiyama; Nozomi Takagi; Shigeru Nagase; Yoshinobu Hosoi; Yukio Furukawa; Norihiro Tokitoh","Synthesis and Reactions of a Stable 1,2-Diaryl-1,2-dibromodisilene: A Precursor for Substituted Disilenes and a 1,2-Diaryldisilyne","Journal of the American Chemical Society","2008","130","","13856","13857","10.1021/ja8061002","","","0.71069","MoKα","","0.1762","0.0723","","","0.1497","0.2028","","","","","","1.026","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4110802","7.0249","0.0007","7.0249","0.0007","19.936","0.002","90","","90","","90","","983.83","0.17","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C14 H12 N2 O12 Zn2 -","- C14 H4 N2 O12 Zn2 -","- C28 H8 N4 O24 Zn4 -","2","0.25","","Xiang Lin; Alexander J. Blake; Claire Wilson; Xue Zhong Sun; Neil R. Champness; Michael W. George; Peter Hubberstey; Robert Mokaya; Martin Schröder","A Porous Framework Polymer Based on a Zinc(II) 4,4'-Bipyridine-2,6,2',6'-tetracarboxylate: Synthesis, Structure, and ""Zeolite-Like"" Behaviors","Journal of the American Chemical Society","2006","128","","10745","10753","10.1021/ja060946u","","","0.71073","MoKα","","0.0488","0.0452","","","0.124","0.127","","","","","","1.09","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4113015","17.53","0.03","17.53","0.03","8.28","0.01","90","","90","","90","","2544","7","107.1","","","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C20 H32 Br3 N2 O4 Sc -","- C20 H26 Br3 N2 O4 Sc -","- C80 H104 Br12 N8 O16 Sc4 -","4","0.5","","Shunpei Ishikawa; Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Catalytic Asymmetric Hydroxymethylation of Silicon Enolates Using an Aqueous Solution of Formaldehyde with a Chiral Scandium Complex","Journal of the American Chemical Society","2004","126","","12236","12237","10.1021/ja047896i","","","0.7107","MoKα","","","0.036","","","","0.103","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118509","23.485","0.005","23.485","0.005","8.995","0.005","90","","90","","90","","4961","3","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C25 H24 Cl2 Cu N4 O4 -","- C25 Cl2 Cu N4 O4 -","- C100 Cl8 Cu4 N16 O16 -","4","0.5","","Akihito Shigematsu; Teppei Yamada; Hiroshi Kitagawa","Selective Separation of Water, Methanol, and Ethanol by a Porous Coordination Polymer Built with a Flexible Tetrahedral Ligand","Journal of the American Chemical Society","2012","134","","13145","13147","10.1021/ja306401j","","","0.71069","MoKα","","","0.0575","","","","0.1672","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121577","18.878","0.004","18.878","0.004","37.043","0.008","90","","90","","90","","13201","5","100","2","100","","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C115 H76 Al8 O41 -","- C115 H76 Al8 O41 -","- C230 H152 Al16 O82 -","2","0.25","","Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.","High methane storage capacity in aluminum metal-organic frameworks.","Journal of the American Chemical Society","2014","136","14","5271","5274","10.1021/ja501606h","","x-ray","0.95403","","","0.1055","0.0887","","","0.2548","0.2736","","","","","","1.168","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121578","19.28","0.001","19.28","0.001","36.03","0.001","90","","90","","90","","13393","1.1","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C216 H60 Al8 O56 -","- C216 H60 Al8 O56 -","- C432 H120 Al16 O112 -","2","0.25","","Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.","High methane storage capacity in aluminum metal-organic frameworks.","Journal of the American Chemical Society","2014","136","14","5271","5274","10.1021/ja501606h","","","0.8903","synchrotron","","0.1222","0.1112","","","0.2792","0.2892","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4125182","19.826","0.004","19.826","0.004","30.613","0.006","90","","90","","90","","12033","4","130","2","130","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C72 H112 I5 K2 O91 -","- C72 H112 I5 K2 O91 -","- C288 H448 I20 K8 O364 -","4","0.5","","Zhou, Hongyao; Yamada, Teppei; Kimizuka, Nobuo","Supramolecular Thermo-Electrochemical Cells: Enhanced Thermoelectric Performance by Host-Guest Complexation and Salt-Induced Crystallization.","Journal of the American Chemical Society","2016","138","33","10502","10507","10.1021/jacs.6b04923","","","0.71075","MoKα","","0.1276","0.0981","","","0.2816","0.3318","","","","","","1.085","","","","has coordinates","187925","2020-10-21","18:00:00",""
"4129110","19.0466","0.0006","19.0466","0.0006","36.389","0.0012","90","","90","","90","","13200.9","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C31.59 H19.8 Al2 N1.2 O9.05 -","- C31.5928 H19.7964 Al2 N1.1976 O9.0524 -","- C252.742 H158.371 Al16 N9.5808 O72.4192 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.54178","CuKα","","0.1465","0.125","","","0.323","0.3391","","","","","","1.423","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129111","18.7104","0.0005","18.7104","0.0005","37.1528","0.0011","90","","90","","90","","13006.4","0.6","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29 H19.5 Al2 O11.08 P0.5 -","- C29 H19.518 Al2 O11.071 P0.506 -","- C232 H156.144 Al16 O88.568 P4.048 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0523","0.0354","","","0.0802","0.0844","","","","","","0.905","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129112","18.1729","0.0008","18.1729","0.0008","37.6737","0.0017","90","","90","","90","","12441.9","1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C27 H17 Al2 O12.08 S0.86 -","- C27 H17 Al2 O12.0806 S0.8602 -","- C216 H136 Al16 O96.6448 S6.8816 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.0332","synchrotron","","0.035","0.0254","","","0.0542","0.057","","","","","","0.946","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129113","18.5778","0.0006","18.5778","0.0006","37.2977","0.0013","90","","90","","90","","12872.7","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.05 H17 Al2 N0.56 O10.56 -","- C29.7427 H22.0663 Al2 N0.5809 O10.5809 -","- C237.942 H176.53 Al16 N4.6472 O84.6472 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0814","0.0682","","","0.2051","0.2206","","","","","","1.041","","","","has coordinates","246562","2020-10-21","18:00:00",""
"4129114","18.4641","0.0006","18.4641","0.0006","37.4193","0.0012","90","","90","","90","","12757.1","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.8 H17.44 Al2 O10.15 S0.36 -","- C29.797 H19.4376 Al2 O10.1739 S0.3594 -","- C238.376 H155.501 Al16 O81.3912 S2.8752 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0526","0.0491","","","0.1422","0.1466","","","","","","1.06","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129115","19.2915","0.0005","19.2915","0.0005","36.081","0.0011","90","","90","","90","","13428","0.6","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C33.75 H23.81 Al2 B0.51 N1.02 O10.21 -","- C33.7464 H23.8134 Al2 B0.5075 N1.015 O10.2147 -","- C269.971 H190.507 Al16 B4.06 N8.12 O81.7172 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0572","0.0544","","","0.1434","0.1479","","","","","","1.07","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129116","19.5339","0.0005","19.5339","0.0005","35.7057","0.001","90","","90","","90","","13624.3","0.6","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.98 H18.86 Al2 N2.59 O8.37 -","- C28.9746 H18.8624 Al2 N2.5872 O8.36855 -","- C231.797 H150.899 Al16 N20.6976 O66.9484 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0473","0.0459","","","0.1271","0.1288","","","","","","1.097","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129117","18.1702","0.0006","18.1702","0.0006","37.843","0.0014","90","","90","","90","","12494.1","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C27.45 H18.55 Al2 O11.03 P0.55 -","- C27.4502 H18.5496 Al2 O11.033 P0.5497 -","- C219.602 H148.397 Al16 O88.264 P4.3976 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0367","0.033","","","0.0871","0.089","","","","","","0.991","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129118","19.4481","0.0006","19.4481","0.0006","35.7074","0.0013","90","","90","","90","","13505.6","0.8","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.81 H19.81 Al2 N1.87 O8 -","- C29.808 H19.808 Al2 N1.872 O8 -","- C238.464 H158.464 Al16 N14.976 O64 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.54178","CuKα","","0.0716","0.0494","","","0.1214","0.131","","","","","","0.991","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129119","18.8135","0.0011","18.8135","0.0011","36.797","0.002","90","","90","","90","","13024.2","1.3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.02 H19.04 Al2 N2.07 O9.21 -","- C29.018 H19.036 Al2 N2.072 O9.214 -","- C232.144 H152.288 Al16 N16.576 O73.712 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0422","0.0358","","","0.087","0.09","","","","","","0.992","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129120","18.6051","0.0008","18.6051","0.0008","37.384","0.0018","90","","90","","90","","12940.5","1","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C30.06 H24.02 Al2 N0.69 O11.09 P0.41 -","- C29.941 H24.071 Al2 N0.647 O11.161 P0.514 -","- C239.528 H192.568 Al16 N5.176 O89.288 P4.112 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0369","0.0282","","","0.061","0.0631","","","","","","0.91","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129121","18.6986","0.0011","18.6986","0.0011","37.201","0.003","90","","90","","90","","13006.9","1.5","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.61 H21.53 Al2 O10.25 S0.52 -","- C30.6096 H21.5292 Al2 O10.25 S0.5219 -","- C244.877 H172.234 Al16 O82 S4.1752 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0646","0.0541","","","0.1465","0.156","","","","","","1.036","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129122","19.4353","0.0006","19.4353","0.0006","35.7957","0.0011","90","","90","","90","","13521.1","0.7","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C31 H21 Al2 Br N2 O8 -","- C31 H21 Al2 Br N2 O8 -","- C248 H168 Al16 Br8 N16 O64 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0777","0.0654","","","0.185","0.197","","","","","","1.009","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129123","18.6944","0.0006","18.6944","0.0006","37.0688","0.0012","90","","90","","90","","12954.8","0.7","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C34.5 H21.61 Al2 N2.17 O9.87 -","- C34.5016 H21.612 Al2 N2.1672 O9.8676 -","- C276.013 H172.896 Al16 N17.3376 O78.9408 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.1204","0.0997","","","0.2603","0.2815","","","","","","1.136","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129124","19.3331","0.0006","19.3331","0.0006","36.2317","0.0012","90","","90","","90","","13542.3","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.29 H19.53 Al2 N0.76 O9.35 -","- C30.2926 H19.5284 Al2 N0.7642 O9.34925 -","- C242.341 H156.227 Al16 N6.1136 O74.794 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0682","0.0556","","","0.1596","0.1704","","","","","","1.053","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129125","18.9","0.001","18.9","0.001","36.682","0.002","90","","90","","90","","13103.2","1.2","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.72 H18.69 Al2 N2.15 O8.57 -","- C28.718 H18.68 Al2 N2.154 O8.564 -","- C229.744 H149.44 Al16 N17.232 O68.512 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0344","0.0274","","","0.0711","0.0741","","","","","","0.984","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129126","19.4248","0.0007","19.4248","0.0007","35.7345","0.0013","90","","90","","90","","13483.4","0.8","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C37 H27 Al2 N1.8 O10.85 -","- C37 H27 Al2 N1.8 O10.85 -","- C296 H216 Al16 N14.4 O86.8 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0827","0.0795","","","0.219","0.2223","","","","","","1.105","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129127","18.9155","0.0009","18.9155","0.0009","36.6951","0.0019","90","","90","","90","","13129.4","1.1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.66 H18.66 Al2 N1.97 O8.69 -","- C28.657 H18.657 Al2 N1.971 O8.686 -","- C229.256 H149.256 Al16 N15.768 O69.488 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0321","0.0245","","","0.0519","0.0538","","","","","","0.95","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129128","19.375","0.0009","19.375","0.0009","35.8159","0.0016","90","","90","","90","","13445","1.1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C36.71 H26.71 Al2 N1.74 O10.8 -","- C36.712 H26.712 Al2 N1.7422 O10.7958 -","- C293.696 H213.696 Al16 N13.9376 O86.3664 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0893","0.0873","","","0.2379","0.2398","","","","","","1.099","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129129","19.1935","0.0011","19.1935","0.0011","36.602","0.002","90","","90","","90","","13483.8","1.3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.3 H19.22 Al2 O10.76 P0.35 -","- C28.299 H19.22 Al2 O10.7605 P0.349 -","- C226.392 H153.76 Al16 O86.084 P2.792 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0731","0.0668","","","0.2","0.2053","","","","","","1.076","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129130","18.9892","0.0008","18.9892","0.0008","36.9796","0.0015","90","","90","","90","","13334.5","1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.73 H21.63 Al2 O10.09 P0.73 -","- C28.7264 H21.632 Al2 O10.0858 P0.7264 -","- C229.811 H173.056 Al16 O80.6862 P5.8112 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0513","0.0476","","","0.1358","0.1396","","","","","","1.065","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129131","19.079","0.003","19.079","0.003","36.683","0.005","90","","90","","90","","13353","3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C34.45 H22.72 Al2 N1.83 O10.47 -","- C34.4508 H22.716 Al2 N1.834 O10.4699 -","- C275.606 H181.728 Al16 N14.672 O83.7596 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0587","0.0532","","","0.145","0.1504","","","","","","1.077","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4133566","14.569","0.002","14.569","0.002","27.444","0.004","90","","90","","90","","5825.1","1.4","100","2","100","","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C124 H172 Li2 N6 O2 P4 Zr2 -","- C124 H172 Li2 N6 O2 P4 Zr2 -","- C248 H344 Li4 N12 O4 P8 Zr4 -","2","0.25","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.0315","0.028","","","0.0643","0.0659","","","","","","1.066","","","","has coordinates,has disorder","243323","2020-10-21","18:00:00",""
"4305745","17.5819","0.0013","17.5819","0.0013","11.7959","0.0009","90","","90","","90","","3646.4","0.5","160","2","160","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C68 H90 Fe2 N8 O16 -","- C68 H86 Fe2 N8 O16 -","- C136 H172 Fe4 N16 O32 -","2","0.25","","Athanassios K. Boudalis; Juan Modesto Clemente-Juan; Françoise Dahan; Vassilis Psycharis; Catherine P. Raptopoulou; Bruno Donnadieu; Yiannis Sanakis; Jean-Pierre Tuchagues","Reversible Core-Interconversion of an Iron(III) Dihydroxo Bridged Complex","Inorganic Chemistry","2008","47","","11314","11323","10.1021/ic800716r","","","0.71073","MoKα","","0.1014","0.0704","","","0.1816","0.2009","","","","","","1.036","","","","has coordinates,has disorder","179095","2020-10-21","18:00:00",""
"4309697","14.8806","0.0004","14.8806","0.0004","23.7853","0.0007","90","","90","","90","","5266.8","0.3","150","1","150","1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C84 H140 Cl12 O8 P8 Pt4 -","- C84 H140 Cl12 O8 P8 Pt4 -","- C168 H280 Cl24 O16 P16 Pt8 -","2","0.25","","Neeladri Das; Ashutosh Ghosh; Atta M. Arif; Peter J. Stang","Self-Assembly of Neutral Platinum-Based Supramolecular Ensembles Incorporating Oxocarbon Dianions and Oxalate","Inorganic Chemistry","2005","44","","7130","7137","10.1021/ic050919p","","","0.71073","MoKα","","0.0712","0.0485","","","0.0971","0.1087","","","","","","1.07","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4313431","26.1758","0.0006","26.1758","0.0006","9.7781","0.0003","90","","90","","90","","6699.7","0.3","150","2","150","2","","","","","","","","7","P 42 21 2","P 4n 2n","94","","di-[(bis-triethylphosphine)(digold)μ- (2,3,4,6-tetra-acetyl-1-thio-D-glucopyranosato)]dinitrate","","- C40 H74 Au4 N2 O24 P4 S2 -","- C40 H74 Au4 N2 O24 P4 S2 -","- C160 H296 Au16 N8 O96 P16 S8 -","4","0.5","","Ahmed A. Mohamed; Jinhua Chen; Alice E. Bruce; Mitchell R. M. Bruce; Jeanette A. Krause Bauer; David T. Hill","Formation of a Cationic Gold(I) Complex and Disulfide by Oxidation of the Antiarthritic Gold Drug Auranofin","Inorganic Chemistry","2003","42","","2203","2205","10.1021/ic026057z","","","0.71073","MoKα","","0.0958","0.0644","","","0.1152","0.1302","","","","","","1.133","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4322033","15.556","0.004","15.556","0.004","6.9368","0.0008","90","","90","","90","","1678.6","0.6","213","2","213","2","","","","","","","synthesized","5","P 42 21 2","P 4n 2n","94","","Bis(trans-dichloro-bis(cyclohexylamine))-di-molybdenum(II)","","- C24 H52 Cl4 Mo2 N4 -","- C24 H52 Cl4 Mo2 N4 -","- C48 H104 Cl8 Mo4 N8 -","2","0.25","","F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero","Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 3. Preparation, Characterization, and Crystal Structure of Mo2Cl4(NH2R)4 (R = Et, Prn, But, Cy): First Quadruply-Bonded Dimolybdenum Compounds with Primary Amine Ligands","Inorganic Chemistry","1999","38","","2649","2654","10.1021/ic981289c","","","0.71073","MoKα","","0.0389","0.0374","","0.0933","0.0918","","","","1.088","1.093","1.093","","","","","has coordinates,has disorder","179323","2020-10-21","18:00:00",""
"4326188","12.8431","0.0004","12.8431","0.0004","32.8889","0.0014","90","","90","","90","","5424.9","0.3","173","2","","","","","","","","","","5","P 42 21 2","P 4n 2n","94","μ~2~-Oxo-bis{hydroxido-[(3R,4S,5R,8R,9S,10R)-3,10-Diphenyl- 4,5,8,9-tetramethyl-(5,8-diaza-2,11-dioxa-1-stanna(IV) tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)]}","","","- C44 H62 N4 O7 Sn2 -","- C44 H62 N4 O7 Sn2 -","- C176 H248 N16 O28 Sn8 -","4","0.5","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0441","0.0311","","","0.072","0.0739","","","","","","0.828","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4334041","12.536","0.0002","12.536","0.0002","12.8809","0.0002","90","","90","","90","","2024.25","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 42 21 2","P 4n 2n","94","","","","- C32 H56 N8 Ru2 Si4 -","- C32 H56 N8 Ru2 Si4 -","- C64 H112 N16 Ru4 Si8 -","2","0.25","","Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne","Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation","Inorganic Chemistry","2013","52","","2654","2661","10.1021/ic302682f","","x-ray","0.71073","MoKα","","0.0188","0.0156","","","0.0352","0.0356","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338353","25.5599","0.0015","25.5599","0.0015","12.7833","0.0012","90","","90","","90","","8351.4","1","298","2","298","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C48 H28 N6 O14 Zn3 -","- C48 H24 N6 O14 Zn3 -","- C192 H96 N24 O56 Zn12 -","4","0.5","","Han, Lei; Qin, Lan; Xu, Lan-Ping; Zhao, Wen-Na","Doubly interpenetrated chiral (10,3)-a network with charge-transfer-type guest inclusion.","Inorganic chemistry","2013","52","4","1667","1669","10.1021/ic301707h","","","1.54178","CuKα","","0.1651","0.0852","","","0.2392","0.2659","","","","","","0.891","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4339633","17.17","0.003","17.17","0.003","17.1837","0.0006","90","","90","","90","","5065.9","1.3","100","2","100","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C24 H18 Cl Mn N8 O4 -","- C24 H18 Cl Mn N8 O4 -","- C192 H144 Cl8 Mn8 N64 O32 -","8","1","","Wang, Guangbin; Slebodnick, Carla; Yee, Gordon T.","TCNE dimer dianion coordination complexes, [Mn(TPA)(TCNE)]2[micro2-(TCNE)2] and [Mn(TPA)(micro4-C4(CN)8)0.5].ClO4, TPA=tris(2-pyridylmethyl)amine: synthesis, structure and magnetic properties.","Inorganic chemistry","2007","46","23","9641","9645","10.1021/ic700590c","","x-ray","0.71073","MoKα","","0.054","0.0418","","","0.1094","0.113","","","","","","0.966","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4500056","15.118","0.002","15.118","0.002","9.105","0.0018","90","","90","","90","","2081","0.6","276","2","276","2","","","","","","","Synthesized by the authors. See text","4","P 42 21 2","P 4n 2n","94","","","","- C50 H32 N6 O2 -","- C50 H32 N6 O2 -","- C100 H64 N12 O4 -","2","0.25","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0603","0.0538","","","0.1505","0.1602","","","","","","1.059","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500058","15.2168","0.0003","15.2168","0.0003","9.0188","0.0003","90","","90","","90","","2088.31","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 42 21 2","P 4n 2n","94","","","","- C52 H36 N6 O2 -","- C52 H36 N6 O2 -","- C104 H72 N12 O4 -","2","0.25","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0596","0.0515","","","0.1621","0.1717","","","","","","1.045","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4501649","13.9077","0.0001","13.9077","0.0001","14.1742","0.0002","90","","90","","90","","2741.63","0.05","293","2","293","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C12 H25 Cu6 I6 N4 O0.5 -","- C12 H24 Cu6 I6 N4 O0.5 -","- C48 H96 Cu24 I24 N16 O2 -","4","0.5","","Zhang, Ying; Wu, Tao; Liu, Rui; Dou, Tao; Bu, Xianhui; Feng, Pingyun","Three-Dimensional Photoluminescent Frameworks Constructed from Size-Tunable CuI Clusters","Crystal Growth & Design","2010","10","5","2047","","10.1021/cg1001978","","","0.71073","MoKα","","0.0441","0.0319","","","0.0701","0.0739","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4513992","13.636","0.003","13.636","0.003","19.467","0.004","90","","90","","90","","3619.7","1.3","100","2","100","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C23.25 H15.5 Cl7.75 Cu N4 O3.25 -","- C23.348 H15.348 Cl7.696 Cu N4 O3.304 -","- C93.392 H61.392 Cl30.784 Cu4 N16 O13.216 -","4","0.5","","Sengupta, Ananya; Datta, Subhadeep; Su, Chenliang; Herng, Tun Seng; Ding, Jun; Vittal, Jagadese J.; Loh, Kian Ping","Tunable Electrical Conductivity and Magnetic Property of the Two Dimensional Metal Organic Framework [Cu(TPyP)Cu2(O2CCH3)4]","ACS Applied Materials & Interfaces","2016","8","25","16154","","10.1021/acsami.6b03073","","","0.71073","MoKα","","0.0967","0.0864","","","0.2353","0.2439","","","","","","0.994","","","","has coordinates,has disorder","189224","2020-10-21","18:00:00",""
"4514093","28.6987","0.0012","28.6987","0.0012","23.8","0.002","90","","90","","90","","19602","2","173.15","","173.15","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C30.75 H22 Cd N3 O7 S2 -","- C30.75 H22 Cd N3 O7 S2 -","- C246 H176 Cd8 N24 O56 S16 -","8","1","","Zhao, Yang; Xu, Xiaoyue; Qiu, Ling; Kang, Xiaojing; Wen, Lili; Zhang, Bingguang","Metal-Organic Frameworks Constructed from a New Thiophene-Functionalized Dicarboxylate: Luminescence Sensing and Pesticide Removal.","ACS applied materials & interfaces","2017","9","17","15164","","10.1021/acsami.6b11797","","","0.71073","MoKα","","0.1592","0.0507","","","0.1005","0.1343","","","","","","0.874","","","","has coordinates,has disorder","196103","2020-10-21","18:00:00",""
"4517095","11.0868","0.0007","11.0868","0.0007","12.7783","0.0015","90","","90","","90","","1570.7","0.2","100","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C12 H12 Cl2 N8 Zn -","- C12 H12 Cl2 N8 Zn -","- C48 H48 Cl8 N32 Zn4 -","4","0.5","","Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Syntheses and Crystal Structures of Metal Complexes with 2,2′-Biimidazole-like Ligand and Chloride: Investigation of X−H···Cl (X = N, O, and C) Hydrogen Bonding and Cl−π (imidazolyl) Interactions","Crystal Growth & Design","2008","8","7","2282","","10.1021/cg700980v","","","0.71073","MoKα","","0.0266","0.0253","","","0.0679","0.0686","","","","","","1.006","","","","has coordinates","239738","2020-10-21","18:00:00",""
"7000635","15.2961","0.0002","15.2961","0.0004","12.4875","0.0003","90","","90","","90","","2921.71","0.11","243","2","243","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","(Pt2Cl4(o-MeO-dppcb))","[Pt2Cl4(o-MeO-dppcb)]","","- C60 H60 Cl4 O8 P4 Pt2 -","- C60 H60 Cl4 O8 P4 Pt2 -","- C120 H120 Cl8 O16 P8 Pt4 -","2","0.25","","Fessler, Markus; Czermak, Georg; Eller, Sylvia; Trettenbrein, Barbara; Brüggeller, Peter; Bettucci, Lorenzo; Bianchini, Claudio; Meli, Andrea; Ienco, Andrea; Oberhauser, Werner","A novel linkage-isomeric pair of dinuclear Pd(II) complexes bearing a bis-bidentate tetraphos ligand","Dalton Transactions","2009","","10","1859","1869","10.1039/b815392b","","","0.71073","MoKα","","0.034","0.0263","","","0.0575","0.0665","","","","","","0.995","","","","has coordinates","209573","2020-10-21","18:00:00",""
"7006974","15.1102","0.0009","15.1102","0.0009","18.4635","0.0015","90","","90","","90","","4215.6","0.5","160","2","160","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C41 H51 Cl2 Fe N5 O3 -","- C41 H45 Cl2 Fe N5 O3 -","- C164 H180 Cl8 Fe4 N20 O12 -","4","0.5","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.0958","0.0746","","","0.2266","0.2358","","","","","","1.018","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006975","14.911","0.0015","14.911","0.0015","19.143","0.003","90","","90","","90","","4256.2","0.9","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C43 H48 Br2 N6 Ni -","- C41 H45 Br2 N5 Ni -","- C164 H180 Br8 N20 Ni4 -","4","0.5","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.1095","0.0503","","","0.1074","0.1204","","","","","","0.848","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006976","15.044","0.007","15.044","0.007","18.659","0.012","90","","90","","90","","4223","4","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C41 H45 Cl2 N5 Zn -","- C41 H45 Cl2 N5 Zn -","- C164 H180 Cl8 N20 Zn4 -","4","0.5","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.0959","0.0807","","","0.2079","0.2221","","","","","","0.987","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7007478","19.0018","0.0011","19.0018","0.0011","14.7698","0.0011","90","","90","","90","","5332.9","0.6","300","2","300","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","(Gd.DOTAPh)Br!3$","[Gd.DOTAPh]Br~3~","","- C48 H66 Br3 Gd N8 O5 -","- C48 H66 Br3 Gd N8 O5 -","- C192 H264 Br12 Gd4 N32 O20 -","4","0.5","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0848","0.0443","","","0.0968","0.1188","","","","","","1.048","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007479","19.3897","0.0013","19.3897","0.0013","14.8981","0.0014","90","","90","","90","","5601.1","0.7","300","2","300","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","(Gd.DOTAPh)Br!3$","[Gd.DOTAPh]Br~3~","","- C48 H66 Gd I3 N8 O5 -","- C48 H66 Gd I3 N8 O5 -","- C192 H264 Gd4 I12 N32 O20 -","4","0.5","","Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio","On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5605","5616","10.1039/b606206g","","","0.71073","MoKα","","0.0418","0.0305","","","0.0734","0.0771","","","","","","0.991","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7021608","16.409","0.002","16.409","0.002","18.059","0.003","90","","90","","90","","4862.5","1.2","123","2","123","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C64 H144 Cl N4 O38 V16 -","- C64 H144 Cl N4 O38 V16 -","- C128 H288 Cl2 N8 O76 V32 -","2","0.25","","Kato, Naohiro; Hayashi, Yoshihito","Discrete spherical hexadecavanadates incorporating a bromide with oxidative bromination activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11804","11811","10.1039/c3dt50521a","","","0.7107","MoKα","","0.1098","0.0997","","","0.2758","0.2934","","","","","","1.101","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7023919","16.038","0.002","16.038","0.002","15.787","0.003","90","","90","","90","","4060.7","1.1","291","2","291","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C38 H36 Co2 N4 O10 S2 -","- C38 H36 Co2 N4 O10 S2 -","- C152 H144 Co8 N16 O40 S8 -","4","0.5","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0671","0.0606","","","0.1469","0.1477","","","","","","0.881","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7025925","14.994","0.005","14.994","0.005","18.752","0.009","90","","90","","90","","4216","3","293","2","293","2","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C34 H48 Cl4 Ir2 N2 O S2 -","- C34 H48 Cl4 Ir2 N2 O S2 -","- C136 H192 Cl16 Ir8 N8 O4 S8 -","4","0.5","","Han, Ying-Feng; Li, Hao; Fei, Yue; Lin, Yue-Jian; Zhang, Wan-Zheng; Jin, Guo-Xin","Synthesis and structural characterization of binuclear half-sandwich iridium, rhodium and ruthenium complexes containing 4,4'-dipyridyldisulfide (4DPDS) ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7119","7124","10.1039/c0dt00057d","","","0.71073","MoKα","","0.0607","0.0302","","","0.0619","0.0654","","","","","","0.804","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7031478","23.5623","0.0005","23.5623","0.0005","15.9256","0.0005","90","","90","","90","","8841.6","0.4","123","2","123","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C30 H76 Mg N4 Na2 Si4 -","- C30 H76 Mg N4 Na2 Si4 -","- C240 H608 Mg8 N32 Na16 Si32 -","8","1","","Francos, J.; Fleming, B. J.; García-Álvarez, P; Kennedy, A. R.; Reilly, K.; Robertson, G. M.; Robertson, S. D.; O'Hara, C T","Complexity in seemingly simple sodium magnesiate systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14424","14431","10.1039/c4dt00921e","","","0.71073","MoKα","","0.0987","0.0598","","","0.1073","0.1222","","","","","","1.033","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7045548","14.77","0.005","14.77","0.005","12.583","0.005","90","0.005","90","0.005","90","0.005","2745","1.7","293","2","293","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C56 H36 Cr2 N8 Nb2 O22 -","- C56 H36 Cr2 N8 Nb2 O22 -","- C112 H72 Cr4 N16 Nb4 O44 -","2","0.25","","Jurić, Marijana; Androš Dubraja, Lidija; Popović, Jasminka; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor","From a square core to square opening: structural diversity and magnetic properties of the oxo-bridged [Cr<sup>III</sup>Nb<sup>V</sup>] complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4183","4190","10.1039/c7dt04724j","","","1.54179","CuKα","","0.0945","0.0658","","","","0.1891","","","","","","1.108","","","","has coordinates","230037","2020-10-21","18:00:00",""
"7049736","13.3118","0.0006","13.3118","0.0006","6.282","0.0003","90","","90","","90","","1113.2","0.09","100","2","100","1","","","","","","","","4","P 42 21 2","P 4n 2n","94","","Bis-tert-butylcyanobismutan","","- C9 H18 Bi N -","- C9 H18 Bi N -","- C36 H72 Bi4 N4 -","4","0.5","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","","0.71073","MoKα","","0.0317","0.0236","","","0.0456","0.049","","","","","","1.247","","","","has coordinates,has disorder","224190","2020-10-21","18:00:00",""
"7060793","18.0532","0.0002","18.0532","0.0002","6.7441","0.0001","90","","90","","90","","2198.02","0.05","107","5","107","5","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C96 H112 O40 -","8","1","","Zhang, Sha; Kang, Feng-Hua; Tan, Jian-Bing; Chen, De-Kun; Kuang, Min; Wang, Wen-Xuan; Xu, Kang-Ping; Zou, Zhen-xing","(±)-Rhytidhymarins A and B, two pairs of new isocoumarin derivatives from endophytic fungus Rhytidhysteron sp. BZM-9","New Journal of Chemistry","2021","45","28","12700","12704","10.1039/D1NJ01993G","","x-ray","1.54184","CuKα","","0.0626","0.0611","","","0.1495","0.1501","","","","","","1.116","","","","has coordinates","268844","2021-09-06","11:59:00",""
"7060794","18.0572","0.0004","18.0572","0.0004","6.7365","0.0002","90","","90","","90","","2196.52","0.09","101","2","101","2","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C96 H112 O40 -","- C96 H112 O40 -","- C96 H112 O40 -","1","0.125","","Zhang, Sha; Kang, Feng-Hua; Tan, Jian-Bing; Chen, De-Kun; Kuang, Min; Wang, Wen-Xuan; Xu, Kang-Ping; Zou, Zhen-xing","(±)-Rhytidhymarins A and B, two pairs of new isocoumarin derivatives from endophytic fungus Rhytidhysteron sp. BZM-9","New Journal of Chemistry","2021","45","28","12700","12704","10.1039/D1NJ01993G","","x-ray","1.54184","CuKα","","0.0653","0.0633","","","0.1455","0.1464","","","","","","1.179","","","","has coordinates","268844","2021-09-06","11:59:01",""
"7103582","15.2597","0.0006","15.2597","0.0006","19.0917","0.0014","90","","90","","90","","4445.7","0.4","296","2","296","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C36.5 H60.5 Co2 N5.5 O11.5 -","- C36.5 H60.5 Co2 N4.79 O10.87 -","- C146 H242 Co8 N19.16 O43.48 -","4","0.5","","Li, Kunhao; Lee, Jeongyong; Olson, David H; Emge, Thomas J; Bi, Wenhua; Eibling, Matthew J; Li, Jing","Unique gas and hydrocarbon adsorption in a highly porous metal-organic framework made of extended aliphatic ligands.","Chemical communications (Cambridge, England)","2008","","46","6123","6125","10.1039/b814498b","","","0.71073","MoKα","","0.1102","0.0528","","","0.1557","0.185","","","","","","1","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00",""
"7104065","11.7385","0.0017","11.7385","0.0017","22.408","0.005","90","","90","","90","","3087.6","0.9","293","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C56 H68 N2 O17 Zn -","- C56 H20 N2 O16 Zn -","- C112 H40 N4 O32 Zn2 -","2","0.25","","Cui, Yong; Ngo, Helen L.; White, Peter S.; Lin, Wenbin","Homochiral 3D open frameworks assembled from 1- and 2-D coordination polymers","Chemical Communications (Cambridge, United Kingdom)","2003","","8","994","995","10.1039/b211916a","","","0.71073","MoKα","","0.174","0.0981","","","0.2482","0.3066","","","","","","1.022","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7116249","13.3242","0.0004","13.3242","0.0004","24.3016","0.0009","90","","90","","90","","4314.4","0.2","150","2","150","2","","","","","","","synthesized by the authors","5","P 42 21 2","P 4n 2n","94","","","","- C42 H44 Cl2 N4 O8 -","- C42 H44 Cl2 N4 O8 -","- C168 H176 Cl8 N16 O32 -","4","0.5","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.1721","0.1219","","","0.3303","0.3585","","","","","","1.266","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7125976","19.429","0.004","19.429","0.004","12.057","0.002","90","","90","","90","","4551.3","1.5","180","2","180","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C90 H82 F24 N18 P4 -","- C70 H52 F24 N8 P4 -","- C140 H104 F48 N16 P8 -","2","0.25","","Nian, Hao; Li, Aisen; Li, Yawen; Cheng, Lin; Wang, Ling; Xu, Weiqing; Cao, Liping","Tetraphenylethene-based tetracationic dicyclophanes: synthesis, mechanochromic luminescence, and photochemical reactions.","Chemical communications (Cambridge, England)","2020","56","21","3195","3198","10.1039/d0cc00860e","","","1.34138","GaKα","","0.056","0.0454","","","0.1378","0.142","","","","","","1.055","","","","has coordinates","250208","2020-10-21","18:00:00",""
"7125978","28.876","0.002","28.876","0.002","11.5084","0.0011","90","","90","","90","","9596","1.3","192","2","192","2","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C61 H92 F6 Fe N4 O12 S2 -","- C61 H92 F6 Fe N4 O12 S2 -","- C244 H368 F24 Fe4 N16 O48 S8 -","4","0.5","","Wang, Fang; Feng, Lili; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N'-dioxide-iron(iii)-catalyzed asymmetric sulfoxidation with hydrogen peroxide.","Chemical communications (Cambridge, England)","2020","56","21","3233","3236","10.1039/d0cc00434k","","","0.71073","MoKα","","0.1214","0.086","","","0.2178","0.2327","","","","","","1.012","","","","has coordinates","250205","2020-10-21","18:00:00",""
"7126254","20.7855","0.0005","20.7855","0.0005","35.3744","0.001","90","","90","","90","","15283.1","0.7","100","","100","","","","","","","","","4","P 42 21 2","P 4n 2n","94","","Tetrakis(bis(1,2,3,4-tetra(isopropyl)cyclopentadienyl)-azido-uranium(iii)) n-pentane solvate","","- C141 H244 N12 U4 -","- C141 H244 N12 U4 -","- C564 H976 N48 U16 -","4","0.5","","Boreen, Michael A.; Rao, Guodong; Villarreal, David G.; Watt, Fabian A.; Britt, R. David; Hohloch, Stephan; Arnold, John","Lewis acid capping of a uranium(v) nitride via a uranium(iii) azide molecular square.","Chemical communications (Cambridge, England)","2020","56","33","4535","4538","10.1039/d0cc01356k","","","0.71073","MoKα","","0.0501","0.0356","","","0.067","0.0712","","","","","","1.03","","","","has coordinates,has disorder","251559","2020-10-21","18:00:00",""
"7126316","23.7332","0.0011","23.7332","0.0011","11.4025","0.0007","90","","90","","90","","6422.6","0.6","100","","100","","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C68 H76 Cl8 N16 S6 Sn4 Zn4 -","- C68 H76 Cl8 N16 S6 Sn4 Zn4 -","- C136 H152 Cl16 N32 S12 Sn8 Zn8 -","2","0.25","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.1108","0.0868","","","0.2081","0.2328","","","","","","0.947","","","","has coordinates","251585","2020-10-21","18:00:00",""
"7129002","14.5873","0.0002","14.5873","0.0002","6.7844","0.0002","90","","90","","90","","1443.65","0.05","120","","120","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C14 H10 F6 N2 O2 -","- C14 H10 F6 N2 O2 -","- C56 H40 F24 N8 O8 -","4","0.5","","Lauzon, Samuel; Ollevier, Thierry","2,2'-Bipyridine-α,α'-trifluoromethyl-diol ligand: synthesis and application in the asymmetric Et<sub>2</sub>Zn alkylation of aldehydes.","Chemical communications (Cambridge, England)","2021","57","84","11025","11028","10.1039/d1cc04556c","","x-ray","1.34139","GaKα","","0.0301","0.0299","","","0.0792","0.0794","","","","","","1.064","","","","has coordinates","270392","2021-11-06","18:56:39",""
"7132979","32.1512","0.0005","32.1512","0.0005","17.6732","0.0003","90","","90","","90","","18268.8","0.5","179.99","0.1","179.99","0.1","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C82 H210 Ag41 K Nb6 O42.5 S26.5 -","- C82 H183 Ag41 K Nb6 O31 S26.5 -","- C328 H732 Ag164 K4 Nb24 O124 S106 -","4","0.5","","Zhao, Zichen; Zhao, Mengyun; Deng, Lan; Li, Qing; Zhang, Jing; Su, Hai-Feng; Lv, Hongjin; Yang, Guo-Yu","Two structurally new Lindqvist hexaniobate-templated silver thiolate clusters","Chemical Communications","2024","","","","","10.1039/D4CC00681J","","x-ray","0.71073","MoKα","","0.1399","0.08","","","0.2074","0.2356","","","","","","1.074","","","","has coordinates,has disorder","291335","2024-04-23","21:56:59",""
"7223938","33.227","0.002","33.227","0.002","24.546","0.002","90","","90","","90","","27100","3","103","2","103","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C160 H296 Cu12 N24 O132 -","- C144 H168 Cu12 N24 O84 -","- C576 H672 Cu48 N96 O336 -","4","0.5","","Chen, Zilu; Liu, Xianlin; Wu, Anfu; Liang, Yuning; Wang, Xinyu; Liang, Fupei","Synthesis, structure and properties of an octahedral dinuclear-based Cu12 nanocage of trimesoyltri(L-alanine)","RSC Adv.","2016","","","","","10.1039/C5RA26357C","","","0.71073","MoKα","","0.0912","0.0707","","","0.1849","0.203","","","","","","0.999","","","","has coordinates","174574","2020-10-21","18:00:00",""
"7227846","16.0604","0.0004","16.0604","0.0004","44.117","0.0011","90","","90","","90","","11379.4","0.5","293","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","NTU-141","T41b","","- C61 H40 Cu2 N12 O10 -","- C61 H40 Cu2 N12 O10 -","- C244 H160 Cu8 N48 O40 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Liang, Jie; Chen, Jie Yi Jalyn; Zhao, Yanli","Two Metal-Organic Frameworks Sharing Same Basic Framework Show Distinct Interpenetration Degrees and Different Performance on CO2 Catalytic Conversion","CrystEngComm","2017","","","","","10.1039/C7CE00100B","","","1.54184","CuKα","","0.1029","0.0627","","","0.1698","0.1917","","","","","","0.87","","","","has coordinates","194243","2020-10-21","18:00:00",""
"7227847","22.805","0.0005","22.805","0.0005","44.0727","0.0012","90","","90","","90","","22920.8","0.9","293","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","NTU-140","T41a","","- C61 H40 Cu2 N12 O10 -","- C61 H40 Cu2 N12 O10 -","- C244 H160 Cu8 N48 O40 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Liang, Jie; Chen, Jie Yi Jalyn; Zhao, Yanli","Two Metal-Organic Frameworks Sharing Same Basic Framework Show Distinct Interpenetration Degrees and Different Performance on CO2 Catalytic Conversion","CrystEngComm","2017","","","","","10.1039/C7CE00100B","","","1.54184","CuKα","","0.1627","0.0697","","","0.1125","0.137","","","","","","0.804","","","","has coordinates","194243","2020-10-21","18:00:00",""
"7244097","22.981","0.003","22.981","0.003","13.534","0.003","90","","90","","90","","7148","2","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C108 H138 N4 Ni9 O50 S8 -","- C108 H138 N4 Ni9 O50 S8 -","- C216 H276 N8 Ni18 O100 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7937","synchrotron","","0.081","0.0645","","","0.1705","0.1856","","","","","","1.048","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244098","22.99439","0.00004","22.99439","0.00004","13.59342","0.00005","90","","90","","90","","7187.41","0.03","100","0.1","100","0.1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C120 H162 Co9 N8 O54 S8 -","- C120 H162 Co9 N8 O54 S8 -","- C240 H324 Co18 N16 O108 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","x-ray","1.54184","CuKα","","0.0491","0.0484","","","0.1408","0.1417","","","","","","1.059","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244702","26.67","0.004","26.67","0.004","25.93","0.005","90","","90","","90","","18444","5","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C38 H32 Cu2 N2 O18 -","- C38 H32 Cu2 N2 O18 -","- C304 H256 Cu16 N16 O144 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0728","0.0367","","","0.0953","0.1089","","","","","","0.907","","","","has coordinates,has disorder","274181","2022-03-31","22:37:49",""
"7702099","10.4835","0.0001","10.4835","0.0001","12.0612","0.0002","90","","90","","90","","1325.57","0.03","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C8 H24 Cl8 Nb2 Te4 -","- C8 H24 Cl8 Nb2 Te4 -","- C16 H48 Cl16 Nb4 Te8 -","2","0.25","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.012","0.0119","","","0.0295","0.0295","","","","","","1.081","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7704794","28.2054","0.0004","28.2054","0.0004","18.1449","0.0003","90","","90","","90","","14435.1","0.4","120","","120","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C112 H126 Dy5 N19 O36 -","- C112 H126 Dy5 N19 O36 -","- C448 H504 Dy20 N76 O144 -","4","0.5","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","x-ray","1.54184","CuKα","","0.0888","0.0587","","","0.1466","0.1661","","","","","","0.969","","","","has coordinates,has disorder","254944","2020-10-21","18:00:00",""
"8101129","18.228","0.001","18.228","0.001","7.237","0.001","90","","90","","90","","2404.5","0.2","193","2","193","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C11 H15 Cl F N O -","- C11 H15 Cl F N O -","- C88 H120 Cl8 F8 N8 O8 -","8","1","","Paulus, E. F.; Burgard, A.; Lang, H.-J.; Gerlach, U.","Crystal structure of (S)-(+)-6-fluoro-3,4-dihydro-2,2-dimethyl-2H- 1-benzpyran-4-ammonium chloride, [(CH~3~)~2~(C~9~OH~6~)F(NH~3~)]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","663","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""