# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T11:10:29+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4 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
"1518909","21.441","0.005","21.441","0.005","9.655","0.002","90","","90","","90","","4438.6","1.7","283","2","283","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C31 H32 N3 O8 Zn -","- C31.04 H32.08 N3 O8 Zn -","- C124.16 H128.32 N12 O32 Zn4 -","4","0.5","","Takashi Kitao; Yuta Tokunaga; Daiki Umeyama; Cho Rong Kim; Takashi Uemura; Susumu Kitagawa","Synthesis of chiral porous coordination polymer that shows structural transformation induced by guest molecules","Inorganica Chimica Acta","2015","424","","221","225","","","","0.71075","MoKα","","0.0952","0.0862","","","0.2284","0.2342","","","","","","1.509","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1548333","23.6711","0.0011","23.6711","","22.7697","0.0014","90","","90","","90","","12758.3","1","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Br4 O124 -","- C144 H240 Au Br4 O124 -","- C288 H480 Au2 Br8 O248 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1909","0.0822","","","0.2141","0.2461","","","","","","0.832","","","","has coordinates","203818","2020-10-21","18:00:00",""
"1548334","23.6973","0.0003","23.6973","0.0003","22.8929","0.0004","90","","90","","90","","12855.8","0.3","100","2","100.01","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Cl4 O120 -","- C144 H240 Au Cl4 O120 -","- C288 H480 Au2 Cl8 O240 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0615","0.0542","","","0.1643","0.1696","","","","","","1.061","","","","has coordinates,has disorder","203819","2020-10-21","18:00:00",""
"1548387","20.6668","0.001","20.6668","0.001","16.8568","0.0009","90","","90","","90","","7199.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0353","0.0296","","","0.0754","0.0784","","","","","","1.052","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548390","20.6481","0.001","20.6481","0.001","16.8896","0.0009","90","","90","","90","","7200.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0223","0.0198","","","0.0502","0.0512","","","","","","1.07","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1568594","23.806","0.001","23.806","0.001","22.831","0.001","90","","90","","90","","12938.9","1","200.15","","200.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H168 Cl14 Mo6 O140 -","- C144 H168 Cl14 Mo6 O138 -","- C288 H336 Cl28 Mo12 O276 -","2","0.25","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","","0.71073","MoKα","","0.0811","0.0749","","","0.2134","0.2199","","","","","","1.038","","","","has coordinates","281630","2023-03-05","07:50:39",""
"2002840","9.5598","0.0012","9.5598","0.0012","7.16","0.002","90","","90","","90","","654.4","","","","","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","Barium oxovanadium tetracopper tetrakis(phosphate(V))","","- Ba Cu4 O17 P4 V -","- Ba Cu4 O17 P4 V -","- Ba2 Cu8 O34 P8 V2 -","2","0.25","","Mueller-Buschbaum, Hk; Meyer, S","Cu4 O12-Baugruppen aus planaren Cu O4-Polygonen im BariumVanadyl- Oxocuprat(II)-phosphat Ba (V O) Cu4 (P O4)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1693","1698","10.1002/zaac.19976231103","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003003","23.808","0.004","23.808","0.004","23.14","0.003","90","","90","","90","","13116","4","293","2","293","2","","","","","","","","3","P 4 21 2","P 4ab 2ab","90","gamma-Cyclodextrin methanol","","","?","- C48 H56 O53.28 -","- C288 H336 O319.68 -","6","0.75","KA0038","Steiner, T.; Saenger, W.","Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate","Acta Crystallographica Section B","1998","54","4","450","455","10.1107/S0108768197014547","","","1.54176","CuKα","","0.152","0.086","","0.2618","0.2201","","","","1.009","1.339","1.339","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2100741","23.84","0.005","23.84","0.005","23.227","0.006","90","","90","","90","","13201","5","","","","","","","","","","","","3","P 4 21 2","P 4ab 2ab","","","","","- C51 H122 O58 -","- C48 H38.6667 O72.6667 -","- C288 H232 O436 -","6","0.75","HA0027","Ding, J.; Steiner, T.; Saenger, W.","Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex","Acta Crystallographica Section B","1991","47","5","731","738","10.1107/S0108768191003373","","","1.54182","Cu","","","","","","","","","","","","","","","","","has coordinates","191105","2020-10-21","18:00:00",""
"2100742","23.8093","0.0005","23.8093","0.0005","23.2069","0.0005","90","","90","","90","","13155.6","0.5","","","","","","","","","","","","3","P 4 21 2","P 4ab 2ab","","","","","- C51 H122 O58 -","- C48 H38.6667 O71.6667 -","- C288 H232 O430 -","6","0.75","HA0027","Ding, J.; Steiner, T.; Saenger, W.","Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex","Acta Crystallographica Section B","1991","47","5","731","738","10.1107/S0108768191003373","","","1.54182","Cu","","","","","","","","","","","","","","","","","has coordinates","191105","2020-10-21","18:00:00",""
"2215786","7.374","0.001","7.374","0.001","10.709","0.002","90","","90","","90","","582.31","0.16","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","sodium titanium silicate","disodium titanium tetrasilicate dihydrate","","- H4 Na2 O13 Si4 Ti -","- H4 Na2 O13 Si4 Ti -","- H8 Na4 O26 Si8 Ti2 -","2","0.25","BR2055","Ferdov, Stanislav; Kolitsch, Uwe; Lengauer, Christian; Tillmanns, Ekkehart; Lin, Zhi; Sá Ferreira, Rute A.","Refinement of the layered titanosilicate AM-1 from single-crystal X-ray diffraction data","Acta Crystallographica Section E","2007","63","11","i186","i186","10.1107/S160053680704812X","","","0.71073","MoKα","","0.0308","0.0245","","","0.0589","0.0606","","","","","","1.157","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2242049","26.2427","0.0004","26.2427","0.0004","15.1639","0.0003","90","","90","","90","","10443.1","0.3","100","2","100","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","<i>N</i>-{4-(3-Chloro-4-fluoroanilino)-7-[(tetrahydrofuran-3-yl)oxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide‒acetonitrile‒water (2/1/8)","","- C49 H59.5 Cl2 F2 N10.5 O10 -","- C49 H59.5 Cl2 F2 N10.5 O10 -","- C392 H476 Cl16 F16 N84 O80 -","8","1","SU5351","Zeller, Matthias; de Araujo, Gabriel Lima Barros; Parker, Trev; Singh Rai, Amrinder; Byrn, Stephen R.","A new solvate of afatinib, a specific inhibitor of the ErbB family of tyrosine kinases","Acta Crystallographica Section E","2017","73","3","417","422","10.1107/S2056989017002626","","","1.54178","CuKα","","0.0749","0.0492","","","0.1072","0.1216","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","192760","2020-10-21","18:00:00",""
"4038398","25.9881","0.0004","25.9881","0.0004","13.308","0.0003","90","","90","","90","","8988","0.3","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C22 H19 Au Cl O P -","- C22 H19 Au Cl O P -","- C352 H304 Au16 Cl16 O16 P16 -","16","2","","Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François","Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00545","","x-ray","1.54184","CuKα","","0.0476","0.0414","","","0.1155","0.12","","","","","","1.042","","","","has coordinates","252218","2020-10-21","18:00:00",""
"4105352","22.3018","0.0007","22.3018","","21.439","0.0008","90","","90","","90","","10663.1","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 4 21 2","P 4ab 2ab","90","","","","- C56 H44 Cl16 N4 O18 Rh2 -","- C56 H40 Cl16 N4 O18 Rh2 -","- C224 H160 Cl64 N16 O72 Rh8 -","4","0.5","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.1177","0.0877","","","0.2344","0.2546","","","","","","1.041","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4116736","23.435","0.01","23.4355","","8.13","0.003","90","","90","","90","","4465","3","293.2","","293.2","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C42 H24 Br I22 S24 -","- C41 H24 Br0.25 I21 S24 -","- C82 H48 Br0.5 I42 S48 -","2","0.25","","Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato","Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks","Journal of the American Chemical Society","1998","120","","5905","5913","10.1021/ja980024u","","","0.7107","MoKα","","0.1455","0.076","","0.2498","","","","","1.126","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121072","26.9825","0.0002","26.9825","0.0002","24.957","0.0003","90","","90","","90","","18170.1","0.3","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C312 H336 N72 Ni14 O24 -","- C312 H336 N72 Ni14 O24 -","- C624 H672 N144 Ni28 O48 -","2","0.25","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.099","0.0756","","","0.1899","0.2058","","","","","","1.006","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121598","17.4848","0.0008","17.4848","0.0008","20.2126","0.0009","90","","90","","90","","6179.4","0.5","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C48 H36 Co3 N6 O12 -","- C48 H36 Co3 N6 O12 -","- C192 H144 Co12 N24 O48 -","4","0.5","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.1696","0.1231","","","0.302","0.3268","","","","","","1.074","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121601","22.625","0.0007","22.625","0.0007","12.7634","0.0005","90","","90","","90","","6533.5","0.4","228","2","228","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C192 H128 Co8 N16 O32 -","8","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.102","0.064","","","0.1224","0.1301","","","","","","0.992","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4125215","23.7355","0.0011","23.7355","0.0011","22.8031","0.0011","90","","90","","90","","12846.7","1","100","2","99.96","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H504 Au Cl4 O256 Rb2 -","- C288 H504 Au Cl4 O256 Rb2 -","- C288 H504 Au Cl4 O256 Rb2 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0755","0.0716","","","0.2132","0.2184","","","","","","1.047","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125219","23.6486","0.0004","23.6486","0.0004","22.7925","0.0005","90","","90","","90","","12746.8","0.4","100","2","99.97","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C144 H264 Au Br4 Na O135 -","- C144 H264 Au0.999 Br4 Na O135 -","- C288 H528 Au1.998 Br8 Na2 O270 -","2","0.25","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0834","0.0613","","","0.1603","0.1688","","","","","","0.937","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125220","23.7386","0.0006","23.7386","0.0006","22.7883","0.0006","90","","90","","90","","12841.7","0.6","100","2","99.95","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H488 Au Br4 O248 Rb2 -","- C288 H488 Au Br4 O248 Rb2.0008 -","- C288 H488 Au Br4 O248 Rb2.0008 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0897","0.0758","","","0.2044","0.2172","","","","","","1.009","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125222","23.761","0.012","23.761","0.012","22.836","0.017","90","","90","","90","","12893","13","100","2","100.03","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H480 Au Cl4 Na O241 -","- C288 H480 Au Cl4 Na O241 -","- C288 H480 Au Cl4 Na O241 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","0.71073","MoKα","","0.1041","0.081","","","0.2361","0.2521","","","","","","1.043","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4129383","22.5062","0.0003","22.5062","0.0003","11.0208","0.0005","90","","90","","90","","5582.4","0.3","173","","173","","","","","","","","","9","P 4 21 2","P 4ab 2ab","90","","","","- C79 H73 Ag4 Au4 B5 F20 N14 O P4 -","- C79 H52 Ag4 Au4 B5 F20 N14 O P4 -","- C158 H104 Ag8 Au8 B10 F40 N28 O2 P8 -","2","0.25","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1183","0.0844","","","0.1896","0.2089","","","","","","1.081","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4132945","20.4695","0.0006","20.4695","0.0006","19.2209","0.0008","90","","90","","90","","8053.6","0.5","100","2","100","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C88 H64 Br4 Cl4 O10 Rh2 -","- C88 H60 Br4 Cl4 O8 Rh2 -","- C352 H240 Br16 Cl16 O32 Rh8 -","4","0.5","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","0.71073","MoKα","","0.0938","0.0611","","","0.1166","0.1273","","","","","","1.027","","","","has coordinates","242808","2020-10-21","18:00:00",""
"4323904","17.399","0.008","17.399","","11.377","0.006","90","","90","","90","","3444","2","296","2","296","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","tetrabutylammonium bis(phtahlocyaninato)-gadolinium(iii)","","- C80 H68 Gd N17 -","- C80.04 H32 Gd N17 -","- C160.08 H64 Gd2 N34 -","2","0.25","","Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda","Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu)","Inorganic Chemistry","1996","35","","5798","5804","10.1021/ic960158d","","","0.71073","MoKα","","0.1124","0.0782","","0.2531","0.2124","","","","1.054","1.168","1.168","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4323905","18.096","0.005","18.096","","11.079","0.006","90","","90","","90","","3628","2","296","2","296","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","tetrabutylammonium bis(phtahlocyaninato)-holmium(iii) water solvate","","- C80 H70 Ho N17 O -","- C80 H32 Ho N17 O1.02 -","- C160 H64 Ho2 N34 O2.04 -","2","0.25","","Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda","Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu)","Inorganic Chemistry","1996","35","","5798","5804","10.1021/ic960158d","","","0.71073","MoKα","","0.1167","0.0609","","0.1969","0.1474","","","","1.103","1.194","1.194","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4333968","22.614","0.002","22.614","0.002","12.854","0.002","90","","90","","90","","6573.4","1.3","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C192 H128 Co8 N16 O32 -","8","1","","Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo","A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect","Inorganic Chemistry","2013","52","","2353","2360","10.1021/ic301857h","","","0.71073","MoKα","","0.1073","0.058","","","0.1148","0.1227","","","","","","0.881","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333969","22.5795","0.0016","22.5795","0.0016","12.8221","0.0019","90","","90","","90","","6537.1","1.2","353","2","353","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C192 H128 Co8 N16 O32 -","8","1","","Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo","A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect","Inorganic Chemistry","2013","52","","2353","2360","10.1021/ic301857h","","","0.71073","MoKα","","0.0854","0.0537","","","0.1172","0.1373","","","","","","1.068","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333970","22.614","0.0014","22.614","0.0014","12.7315","0.0016","90","","90","","90","","6510.8","1","173","2","173","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C28 H16 Co N2 O8 -","- C28 H16 Co N2 O8 -","- C224 H128 Co8 N16 O64 -","8","1","","Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo","A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect","Inorganic Chemistry","2013","52","","2353","2360","10.1021/ic301857h","","","0.71073","MoKα","","0.1685","0.0945","","","0.2362","0.2909","","","","","","1.002","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333971","22.6904","0.0017","22.6904","0.0017","12.695","0.002","90","","90","","90","","6536.1","1.2","173","2","173","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C29 H16 Co N2 O6.5 -","- C29 H16 Co N2 O6.5 -","- C232 H128 Co8 N16 O52 -","8","1","","Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo","A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect","Inorganic Chemistry","2013","52","","2353","2360","10.1021/ic301857h","","","0.71073","MoKα","","0.1118","0.0779","","","0.206","0.226","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339873","13.4551","0.0002","13.4551","0.0002","9.5832","0.0002","90","","90","","90","","1734.94","0.05","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26 H40 N2 O13 Zn2 -","- C26.08 N2 O8 Zn2 -","- C52.16 N4 O16 Zn4 -","2","0.25","","Dybtsev, Danil N.; Yutkin, Maxim P.; Peresypkina, Eugenia V.; Virovets, Alexander V.; Serre, Christian; Férey, Gérard; Fedin, Vladimir P.","Isoreticular homochiral porous metal-organic structures with tunable pore sizes.","Inorganic chemistry","2007","46","17","6843","6845","10.1021/ic7009226","","","0.71073","MoKα","","0.0536","0.0489","","","0.1918","0.1974","","","","","","1.165","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4344750","9.5182","0.0005","9.5182","0.0005","7.0087","0.0005","90","","90","","90","","634.96","0.07","296.4","","296.4","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- Cu4 O17 P4 Sr Ti -","- Cu4 O17 P4 Sr Ti -","- Cu8 O34 P8 Sr2 Ti2 -","2","0.25","","Kimura, Kenta; Sera, Masakazu; Kimura, Tsuyoshi","A(2+) Cation Control of Chiral Domain Formation in A(TiO)Cu4(PO4)4 (A = Ba, Sr).","Inorganic chemistry","2016","55","3","1002","1004","10.1021/acs.inorgchem.5b02622","","","0.71075","MoKα","","","0.0368","","","","0.0394","","","","","","1.07","","","","has coordinates","175612","2020-10-21","18:00:00",""
"4344751","9.6028","0.0005","9.6028","0.0005","7.1209","0.0005","90","","90","","90","","656.65","0.07","294.1","","294.1","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- Ba Cu4 O17 P4 Ti -","- Ba Cu4 O17 P4 Ti -","- Ba2 Cu8 O34 P8 Ti2 -","2","0.25","","Kimura, Kenta; Sera, Masakazu; Kimura, Tsuyoshi","A(2+) Cation Control of Chiral Domain Formation in A(TiO)Cu4(PO4)4 (A = Ba, Sr).","Inorganic chemistry","2016","55","3","1002","1004","10.1021/acs.inorgchem.5b02622","","","0.71075","MoKα","","","0.0398","","","","0.0523","","","","","","1.035","","","","has coordinates","175613","2020-10-21","18:00:00",""
"4346925","25.2485","0.0005","25.2485","0.0005","15.9652","0.0006","90","","90","","90","","10177.6","0.5","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Gd17 O112 -","- C112 H205 Gd17 O112 -","- C224 H410 Gd34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.0507","0.0388","","","0.09","0.0979","","","","","","0.934","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346926","25.1752","0.0005","25.1752","0.0005","15.9129","0.0004","90","","90","","90","","10085.4","0.4","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 O112 Tb17 -","- C112 H205 O112 Tb17 -","- C224 H410 O224 Tb34 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.0417","0.0348","","","0.087","0.0911","","","","","","1.08","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346927","25.3946","0.0005","25.3946","0.0005","15.9393","0.0005","90","","90","","90","","10279","0.4","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Dy17 O112 -","- C112 H205 Dy17 O112 -","- C224 H410 Dy34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71","MoKα","","0.038","0.0336","","","0.0826","0.085","","","","","","1.072","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346928","25.1018","0.0003","25.1018","0.0003","15.8777","0.0003","90","","90","","90","","10004.5","0.3","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Ho17 O112 -","- C112 H205 Ho17 O112 -","- C224 H410 Ho34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.036","0.0315","","","0.0742","0.077","","","","","","1.091","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346929","25.1663","0.0008","25.1663","0.0008","15.8693","0.0009","90","","90","","90","","10050.7","0.7","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Er17 O112 -","- C112 H205 Er17 O112 -","- C224 H410 Er34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.0843","0.0684","","","0.1638","0.1792","","","","","","1.052","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4503141","20.1824","0.0014","20.1824","0.0014","12.6052","0.0018","90","","90","","90","","5134.5","0.9","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C60 H76 Cd5 Cl4 N4 O24 -","- C60 H76 Cd5 Cl4 N4 O24 -","- C120 H152 Cd10 Cl8 N8 O48 -","2","0.25","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun","Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies","Crystal Growth & Design","2008","8","1","319","","10.1021/cg070604f","","","0.71073","MoKα","","0.0393","0.038","","","0.1255","0.1271","","","","","","1.017","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4515684","23.156","0.0008","23.156","0.0008","45.3164","0.0015","90","","90","","90","","24298.7","1.4","100","","99.98","","","","","","","","","8","P 4 21 2","P 4ab 2ab","90","","","","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C920 H864 Cl16 F288 N48 O64 P16 Sb16 -","8","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.063","0.0538","","","0.1398","0.1455","","","","","","1.088","","","","has coordinates,has disorder","225817","2020-10-21","18:00:00",""
"4515846","18.636","0.003","18.636","0.003","8.2243","0.0015","90","","90","","90","","2856.3","0.8","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.1009","0.08","","","0.1794","0.1935","","","","","","1.11","","","","has coordinates","225946","2020-10-21","18:00:00",""
"4515847","18.855","0.004","18.855","0.004","8.0473","0.0019","90","","90","","90","","2860.9","1.1","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0472","0.0428","","","0.104","0.1065","","","","","","1.032","","","","has coordinates","225947","2020-10-21","18:00:00",""
"4515849","18.6204","0.0014","18.6204","0.0014","8.2532","0.0006","90","","90","","90","","2861.5","0.4","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0957","0.0856","","","0.1842","0.1935","","","","","","1.195","","","","has coordinates","225949","2020-10-21","18:00:00",""
"4518634","14.4125","0.0004","14.4125","0.0004","15.2106","0.0007","90","","90","","90","","3159.55","0.19","296","2","296","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- Cl2 Cs3 I3 Mn -","- Cl2 Cs3 I3 Mn -","- Cl16 Cs24 I24 Mn8 -","8","1","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.1546","0.1385","","","0.3953","0.4101","","","","","","1.067","","","","has coordinates,has disorder","264596","2021-04-27","21:41:00",""
"7000935","14.236","0.002","14.236","0.002","22.44","0.005","90","","90","","90","","4547.8","1.4","193","2","193","2","","","","","","","","8","P 4 21 2","P 4ab 2ab","90","","","","- C68 H90 Cu4 F24 Mo4 N6 P4 S8 -","- C68 H84 Cu4 F24 Mo4 N6 P4 S8 -","- C136 H168 Cu8 F48 Mo8 N12 P8 S16 -","2","0.25","","Ren, Zhi-Gang; Yang, Jun-Yi; Song, Ying-Lin; Li, Ni-Ya; Li, Hong-Xi; Chen, Yang; Zhang, Yong; Lang, Jian-Ping","From trans-[(η5-C5Me5)2Mo2S2(μ-S)2] to [(η5-C5Me5)2Mo2(μ3-S)4(CuMeCN)2]2+ to [(η5-C5Me5)2Mo2(μ3-S)4Cu2]-based polymeric and dimeric clusters: syntheses, structures and enhanced third-order non-linear optical performances","Dalton Transactions","2009","","14","2578","2587","10.1039/b819240e","","","0.71073","MoKα","","0.0848","0.0779","","","0.1894","0.1932","","","","","","1.381","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7035129","8.7073","0.0006","8.7073","0.0006","11.2931","0.0014","90","","90","","90","","856.21","0.14","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- Cu3 Hg2 O16 Te6 -","- Cu3 Hg2 O16 Te6 -","- Cu6 Hg4 O32 Te12 -","2","0.25","","Cao, Xue-Li; Kong, Fang; He, Zhang-Zhen; Mao, Jiang-Gao","Structural and magnetic studies on three new mixed metal copper(ii) selenites and tellurites.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11420","11428","10.1039/c5dt01257k","","","0.71073","MoKα","","0.0346","0.0307","","","0.073","0.0743","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7042458","9.632","0.004","9.632","0.004","12.464","0.005","90","","90","","90","","1156.4","0.8","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- Cl2 Cu5 O24 P4 Sr2 -","- Cl2 Cu5 O24 P4 Sr2 -","- Cl4 Cu10 O48 P8 Sr4 -","2","0.25","","Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Tang, Yingying; Chen, Sihuai","Synthesis, structure, and magnetic properties of new layered phosphate halides Sr2Cu5(PO4)4X2·8H2O (X = Cl, Br) with a crown-like building unit.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4461","4466","10.1039/c7dt00046d","","","0.71073","MoKα","","0.0304","0.0267","","","0.0594","0.0608","","","","","","1.041","","","","has coordinates","195077","2020-10-21","18:00:00",""
"7046760","17.0886","0.0005","17.0886","0.0005","15.0638","0.0005","90","","90","","90","","4398.9","0.2","150","2","150","2","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","","","","- C83 H118 Cl Co4 N15 O15 S4 -","- C64 H72 Cl Co4 N9 O8 S4 -","- C128 H144 Cl2 Co8 N18 O16 S8 -","2","0.25","","Geng, Dantong; Zhang, Min; Hang, Xinxin; Xie, Wenjie; Qin, Yucai; Li, Qiang; Bi, Yanfeng; Zheng, Zhiping","A 2D metal-thiacalix[4]arene porous coordination polymer with 1D channels: gas absorption/separation and frequency response.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9008","9013","10.1039/c8dt02089b","","","0.71073","MoKα","","0.047","0.0377","","","0.1013","0.1061","","","","","","1.078","","","","has coordinates,has disorder","229332","2020-10-21","18:00:00",""
"7061075","17.8807","0.0006","17.8807","0.0006","16.2846","0.0006","90","","90","","90","","5206.5","0.3","100","","100","","","","","","","","","8","P 4 21 2","P 4ab 2ab","90","","","","- C44 H68 F24 N9 Na Nd2 O33 P8 -","- C44 H68 F24 N9 Na Nd2 O33 P8 -","- C88 H136 F48 N18 Na2 Nd4 O66 P16 -","2","0.25","","Horniichuk, Oleksandr Ye.; Trush, Victor A.; Kariaka, Nataliia S.; Shishkina, Svitlana V.; Dyakonenko, Viktoriya V.; Severinovskaya, Olga V.; Gawryszewska, Paula; Domasevitch, Kostiantyn V.; Watras, Adam; Amirkhanov, Vladimir M.","Novel quadruple-stranded heterometallic Ln2Na complexes hosting sodium ions inside the cryptand-like cavity","New Journal of Chemistry","2021","45","47","22361","22368","10.1039/D1NJ04353F","","","0.71073","MoKα","","0.0565","0.0496","","","0.1336","0.1405","","","","","","1.078","","","","has coordinates,has disorder","271857","2022-01-06","21:46:39",""
"7108054","16.3498","0.0003","16.3498","0.0003","16.8924","0.0007","90","","90","","90","","4515.6","0.2","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C14 H28 Cd N6 O10 -","- C14 H16 Cd N6 O4 -","- C112 H128 Cd8 N48 O32 -","8","1","","Tsolmon Borjigin; Fuxing Sun; Jinlei Zhang; Kun Cai; Hao Ren; Guangshan Zhu","A microporous metal-organic framework with high stability for GC separation of alcohols from water","Chem.Commun.","2012","48","","7613","","10.1039/c2cc33023g","","","0.71073","MoKα","","0.0405","0.0314","","","0.076","0.0786","","","","","","1.031","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7111878","21.5599","0.0003","21.5599","0.0003","12.8974","0.0003","90","","90","","90","","5995.09","0.18","150","2","150","2","","","","","","","Synthesized","5","P 4 21 2","P 4ab 2ab","90","","","","- C88 H132 Cu6 N8 O35 -","- C88 H132 Cu6 N8 O35 -","- C176 H264 Cu12 N16 O70 -","2","0.25","","Mrigendra Dubey; Ashish Kumar; Daya Shankar Pandey","Homochiral coordination polymeric gel: Zn2±induced conformational changes leading to J-aggregated helical fibres formation","Chem.Commun.","2014","50","","1675","","10.1039/c3cc47359g","","","0.71073","MoKα","","0.0611","0.048","","","0.1218","0.1306","","","","","","1.049","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7203848","15.501","0.004","15.497","0.008","10.428","0.003","89.99","0.04","90.02","0.02","90","0.03","2505","1.6","296.2","","","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C28 H60 Cl3 Gd N8 O20 -","- C28 H52 Cl3 Gd N8 O20 -","- C56 H104 Cl6 Gd2 N16 O40 -","2","0.25","","Umebayashi, Yasuhiro; Matsumoto, Kai; Mekata, Isamu; Ishiguro, Shin-ichi","Solvation structure of lanthanide(iii) ions in solvent mixtures of N,N-dimethylformamide and N,N-dimethylacetamide studied by titration Raman spectroscopy","Physical Chemistry Chemical Physics","2002","4","22","5599","5605","10.1039/b204162f","","","0.7107","MoKα","","","0.0442","","","","0.06","","","","","","1","","","","has coordinates","274638","2022-04-22","16:09:43",""
"7207398","22.3163","0.0005","22.3163","0.0005","12.7222","0.0006","90","","90","","90","","6335.9","0.4","185","2","185","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H23.1 N5.3 Ni O5.3 -","- C22 H14 N4 Ni O4 -","- C176 H112 N32 Ni8 O32 -","8","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.0602","0.047","","","0.1174","0.1225","","","","","","1.015","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7210330","18.044","0.006","18.044","0.006","19.407","0.008","90","","90","","90","","6319","4","296","2","296","2","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","","","","- C24 H70 Cl2 N8 O28 Pd6 S8 -","- C24 H46 Cl2 N8 O28 Pd6 S8 -","- C96 H184 Cl8 N32 O112 Pd24 S32 -","4","0.5","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.1065","0.0664","","","0.1717","0.2022","","","","","","1.04","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7212609","17.124","0.003","17.124","0.003","5.3921","0.0012","90","","90","","90","","1581.1","0.5","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C24 H33 Cd2 Cl N8 O16 -","- C24 H33 Cd2 Cl N8 O16 -","- C48 H66 Cd4 Cl2 N16 O32 -","2","0.25","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0339","0.0318","","","0.0871","0.0891","","","","","","1.103","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7214531","22.6591","0.0011","22.6591","0.0011","12.7035","0.0012","90","","90","","90","","6522.4","0.8","173","2","173","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26.5 H27.75 Co N2 O7.38 -","- C26.5 H16 Co N2 O7.38 -","- C212 H128 Co8 N16 O59.04 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0909","0.0666","","","0.2142","0.2347","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215300","18.8725","0.0015","18.8725","0.0015","8.0221","0.0013","90","","90","","90","","2857.2","0.6","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H27.85 Cd N5.3 O6.05 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0752","0.0462","","","0.0605","0.0653","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215301","18.5718","0.0009","18.5718","0.0009","7.7776","0.0008","90","","90","","90","","2682.6","0.3","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26 H29.5 Co N5 O6.3 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0574","0.0509","","","0.1275","0.1315","","","","","","1.074","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7218037","22.9973","0.0004","22.9973","0.0004","22.5955","0.0007","90","","90","","90","","11950.2","0.5","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C102 H131 Cd3 N2 O47.5 -","- C102 H104 Cd3 N2 O47.5 -","- C408 H416 Cd12 N8 O190 -","4","0.5","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","0.71073","MoKα","","0.2048","0.1146","","","0.2694","0.3376","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7222285","21.5599","0.0003","21.5599","0.0003","12.8974","0.0003","90","","90","","90","","5995.09","0.18","293","2","293","2","","","","","","","Synthesized","5","P 4 21 2","P 4ab 2ab","90","","","","- C44 H82 Cu3 N4 O18.25 -","- C44 H66 Cu3 N4 O18.19 -","- C176 H264 Cu12 N16 O72.76 -","4","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","0.71073","MoKα","","0.133","0.0566","","","0.1169","0.1432","","","","","","0.94","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7230121","18.658","0.002","18.658","0.002","8.653","0.0017","90","","90","","90","","3012.3","0.7","100.15","","100.15","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C20 H28 Cr2 Cu N8 O7 -","- C20 H28 Cr2 Cu N8 O7 -","- C80 H112 Cr8 Cu4 N32 O28 -","4","0.5","","Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.","Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands","CrystEngComm","2018","20","9","1193","","10.1039/C8CE00149A","","","0.71073","synchrotron","","0.1119","0.095","","","0.2611","0.2747","","","","","","1.051","","","","has coordinates,has disorder","229078","2020-10-21","18:00:00",""
"7231861","20.549","0.003","20.549","0.003","15.79","0.003","90","","90","","90","","6667.5","1.9","190","2","189.99","","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","[Co4 Cl (C40 H44 S4 O4) (C16 H9 N3 O4)2](CH3)4N","","","- C72 H62 Cl Co4 N6 O12 S4 -","- C72 H62 Cl Co4 N6 O12 S4 -","- C144 H124 Cl2 Co8 N12 O24 S8 -","2","0.25","","Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping","Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D","RSC Advances","2018","8","68","39208","","10.1039/C8RA07833E","","","1.54178","CuKα","","0.0944","0.0509","","","0.0948","0.1091","","","","","","1.037","","","","has coordinates,has disorder","212173","2020-10-21","18:00:00",""
"7237195","18.2466","0.0003","18.2466","0.0003","16.911","0.0004","90","","90","","90","","5630.32","0.19","150","","150","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C15 H7 Cu N O7 -","- C15 H7 Cu N O7 -","- C120 H56 Cu8 N8 O56 -","8","1","","Ye, Yingxiang; Ma, Zhenlin; Chen, Liangji; Lin, Haizhen; Lin, Quanjie; Liu, Lizhen; Li, Ziyin; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Microporous metal‒organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas","Journal of Materials Chemistry A","2018","6","42","20822","","10.1039/C8TA06923A","","x-ray","1.54178","CuKα","","0.0754","0.0513","","","0.1228","0.1333","","","","","","0.941","","","","has coordinates,has disorder","237474","2020-10-21","18:00:00",""
"7243487","23.745","0.004","23.745","0.004","23.1","0.005","90","","90","","90","","13024","4","293","2","293","2","","","","","","","","3","P 4 21 2","P 4ab 2ab","90","tris(gamma-cyclodextrin) tetrakis(valproic acid) clathrate hydrate","tris(cyclooctylamylose) tetrakis(2-propylpentanoic acid) clathrate hydrate","","- C176 H402 O177 -","- C144 H216 O155.88 -","- C288 H432 O311.76 -","2","0.25","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1554","0.1431","","","0.4024","0.4101","","","","","","1.73","","","","has coordinates","269670","2021-10-06","14:49:10",""
"9008586","4.897","","4.897","","3.388","","90","","90","","90","","81.246","","","","586","","","","","","","","","1","P 4 21 2","P 4ab 2ab","90","Neptunium-beta","","Neptunium-beta","- Np -","- Np -","- Np4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is stable between 551 K and 843 K Note: T = 586 K","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009817","13.32","","13.32","","4.465","","90","","90","","90","","792.191","","","","","","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","Arzakite","- Br3 Hg6 I S4 -","- Br3 Hg6 I S4 -","- Br6 Hg12 I2 S8 -","2","0.25","","Minets, Y. V.; Voroshilov, Y. V.; Pan'ko, V. V.","The structures of mercury chalcogenhalogenides Hg3X2Hal2 Note: synthetic, superstructure","Journal of Alloys and Compounds","2004","367","","109","114","10.1016/j.jallcom.2003.08.020","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""