# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T16:30:49+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I -4' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1001198","15.966","","15.966","","10.099","","90","","90","","90","","2574.4","","","","","","","","","","","","","3","I -4","I -4","82","","RUBIDIUM TUNGSTEN OXIDE (21.8/32.7/108)","","- O108 Rb21.79 W32.74 -","- O108 Rb21.788 W32.736 -","- O108 Rb21.788 W32.736 -","1","0.125","","Goreaud, M; Desgardin, G; Raveau, B","Le tungstate de rubidium Rb~20+x~ (W~4~ O~6~)~1/3-x/12~ W~32~ O~108~ : pyrochlore a reseau hote deficitaire","Journal of Solid State Chemistry","1979","27","","145","151","10.1016/0022-4596(79)90153-1","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007061","7.445","","7.445","","10.17","","90","","90","","90","","563.7","","","","","","","","","","","","","4","I -4","I -4","82","","Dipotassium strontium catena-phosphate","","- K2 O12 P4 Sr -","- K2 O12 P4 Sr -","- K4 O24 P8 Sr2 -","2","0.25","","Tordjman, I; Martin, C; Durif, A","Structure cristalline du tetrametaphosphate de strontium-potassium: Sr K~2~ (P O~3~)~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","293","298","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007148","9.061","0.003","9.061","0.003","10.284","0.005","90","","90","","90","","844.3","","","","","","","","","","","","","4","I -4","I -4","82","","Tetrapotassium tetrametaphosphate tetrahydrate","","- H8 K4 O16 P4 -","- H8 K4 O16 P4 -","- H16 K8 O32 P8 -","2","0.25","","Averbuch-Pouchot, M T; Durif, A","Structure of tetrapotassium tetrametaphosphate tetrahydrate","Acta Crystallographica C (39,1983-)","1985","41","","1564","1566","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010142","4.85","0.01","4.85","0.01","6.6","0.01","90","","90","","90","","155.2","","","","","","","","","","","","","3","I -4","I -4","82","","Aluminium phosphate","","- Al O4 P -","- Al O4 P -","- Al2 O8 P2 -","2","0.25","","Strada, M","La struttura cristallina di alcuni fosfati ed arseniati di metalli trivalenti. I. Fosfato ed arseniato di alluminio","Gazzetta Chimica Italiana","1934","64","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010143","4.9","0.01","4.9","0.01","6.64","0.01","90","","90","","90","","159.4","","","","","","","","","","","","","3","I -4","I -4","82","","Aluminium arsenate","","- Al As O4 -","- Al As O4 -","- Al2 As2 O8 -","2","0.25","","Strada, M","La struttura cristallina di alcuni fosfati ed arseniati di metalli trivalenti. I. Fosfato ed arseniato di alluminio","Gazzetta Chimica Italiana","1934","64","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010299","4.332","0.006","4.332","0.006","6.64","0.008","90","","90","","90","","124.6","","","","","","","","","","","","","3","I -4","I -4","82","","Boron phosphate","","- B O4 P -","- B O4 P -","- B2 O8 P2 -","2","0.25","","Schulze, G E R","Die Kristallstruktur von B P O~4~ und B As O~4~","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","24","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010300","4.458","0.006","4.458","0.006","6.796","0.008","90","","90","","90","","135.1","","","","","","","","","","","","","3","I -4","I -4","82","","Boron arsenate","","- As B O4 -","- As B O4 -","- As2 B2 O8 -","2","0.25","","Schulze, G E R","Die Kristallstruktur von B P O~4~ und B As O~4~","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","24","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010482","12.43","","12.43","","5.52","","90","","90","","90","","852.9","","","","","","","","","","","","","6","I -4","I -4","82","","Tetrakisthioacetamide copper(I) chloride","","- C8 H20 Cl Cu N4 S4 -","- C8 H20 Cl Cu N4 S4 -","- C16 H40 Cl2 Cu2 N8 S8 -","2","0.25","","Cox, E G; Wardlaw, W; Webster, K C","The Stereochemistry of Quadricovalent Atoms: Copper and Silver","Journal of the Chemical Society","1936","1936","","775","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010483","12.59","","12.59","","5.37","","90","","90","","90","","851.2","","","","","","","","","","","","","6","I -4","I -4","82","","Tetrakisthioacetamide silver(I) chloride","","- C8 H20 Ag Cl N4 S4 -","- C8 H20 Ag Cl N4 S4 -","- C16 H40 Ag2 Cl2 N8 S8 -","2","0.25","","Cox, E G; Wardlaw, W; Webster, K C","The Stereochemistry of Quadricovalent Atoms: Copper and Silver","Journal of the Chemical Society","1936","1936","","775","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1100826","22.5779","0.0005","22.5779","0.0005","8.4111","0.0003","90","","90","","90","","4287.7","0.2","163","2","163","2","","","","","","","","3","I -4","I -4","82","","","","- C23 H35 Lu -","- C23 H35 Lu -","- C184 H280 Lu8 -","8","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0237","0.0214","","","0.0492","0.0504","","","","","","1.073","","","","has coordinates","282633","2023-04-14","12:40:07",""
"1501599","11.8715","0.0003","11.8715","0.0003","40.004","0.002","90","","90","","90","","5637.9","0.3","226","2","226","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C109 H180 N24 O20 -","- C109 H180 N24 O20 -","- C218 H360 N48 O40 -","2","0.25","","Danielle Boils; Marie-Eve Perron; Francis Monchamp; Hugues Duval; Thierry Maris; James D. Wuest","Molecular Tectonics. Disruption of Self-Association in Melts Derived from Hydrogen-Bonded Solids","Macromolecules","2004","37","","7351","7357","10.1021/ma035977d","","","1.54178","CuKα","","0.0876","0.0868","","","0.2183","0.2195","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501610","24.9135","0.0008","24.9135","0.0008","7.1597","0.0002","90","","90","","90","","4443.9","0.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C45 H56 N4 O10 -","- C45 H56 N4 O10 -","- C180 H224 N16 O40 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1304","0.0688","","","0.1599","0.1795","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509280","10.25","","10.25","","6.17","","90","","90","","90","","648.236","","","","","","","","","","","","","3","I -4","I -4","82","","Cs Ag O","","- Ag Cs O -","- Ag Cs O -","- Ag8 Cs8 O8 -","8","1","","Hoppe, R.; Sabrowsky, H.","Darstellung und Kristallstruktur von K Ag O und Cs Ag O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","358","","241","256","10.1002/zaac.19683580507","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509420","9.91","","9.91","","5.46","","90","","90","","90","","536.216","","","","","","","","","","","","","3","I -4","I -4","82","","K Ag O","","- Ag K O -","- Ag K O -","- Ag8 K8 O8 -","8","1","","Hoppe, R.; Sabrowsky, H.","Darstellung und Kristallstruktur von K Ag O und Cs Ag O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","358","","241","256","10.1002/zaac.19683580507","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509816","6.317","","6.317","","12.633","","90","","90","","90","","504.113","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ag2 Hg I4 -","- Ag2 Hg I4 -","- Ag4 Hg2 I8 -","2","0.25","","Klingler, W.; Hahn, H.; Frank, G.","Zur Struktur des Cu2 Hg I4-beta und des Ag2 Hg I4-beta","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","271","280","10.1002/zaac.19552790503","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510102","10.16","","10.16","","6.17","","90","","90","","90","","636.902","","","","","","","","","","","","","3","I -4","I -4","82","","Cs (Au O)","","- Au Cs O -","- Au Cs O -","- Au8 Cs8 O8 -","8","1","","Wasel-Nielen, H.D.; Hoppe, R.","Oxoaurate(I) der Alkalimetalle: Cs Au O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","359","","36","40","10.1002/zaac.19683590105","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510360","9.788","","9.788","","7.6","","90","","90","","90","","728.118","","","","","","","","","","","","","3","I -4","I -4","82","","Ba Au2 F8","","- Au2 Ba F8 -","- Au2 Ba F8 -","- Au8 Ba4 F32 -","4","0.5","","Mueller, B.G.","Neue Fluoroaurate(III)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","555","","57","63","10.1002/zaac.19875551207","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511943","22.459","0.003","22.459","0.003","25.656","0.005","90","","90","","90","","12941","4","100","","100","","","","","","","","","3","I -4","I -4","82","","","","- C207 H78 O12 -","- C207 H70 O12 -","- C828 H280 O48 -","4","0.5","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","0.75","synchrotron","","0.0784","0.0776","","","0.215","0.2179","","","","","","1.254","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512229","13.3049","0.0007","13.3049","0.0007","21.044","0.002","90","","90","","90","","3725.2","0.4","180","0.1","180","0.1","","","","","","","","3","I -4","I -4","82","","","","- C42 H50 N4 -","- C42 H50 N4 -","- C168 H200 N16 -","4","0.5","","Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.","Organic letters","2013","15","16","4182","4185","10.1021/ol401878q","","","0.7107","MoKα","","0.0884","0.0708","","","0.1887","0.2086","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515956","17.588","0.012","17.588","0.012","8.963","0.013","90","","90","","90","","2773","5","533","2","533","2","","","","","","","","4","I -4","I -4","82","","","","- C15 H21 N O -","- C15 H21 N O -","- C120 H168 N8 O8 -","8","1","","Ayitou, Anoklase Jean-Luc; Ugrinov, Angel; Sivaguru, J.","6pi-Photocyclization of O-tert-butylacrylanilides. N-substitution dictates the regiochemistry of cyclization.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","6","751","754","10.1039/b903861b","","","0.71073","MoKα","","0.0753","0.0562","","","0.1652","0.1964","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516537","11.9954","0.0001","11.9954","0.0001","13.9537","0.0003","90","","90","","90","","2007.79","0.05","123","1","123","1","","","","","","","see text","4","I -4","I -4","82","","","","- C40 H60 Cr4 P4 -","- C40 H60 Cr4 P4 -","- C80 H120 Cr8 P8 -","2","0.25","","Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.","Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide","Chemical Science","2014","5","6","2443","","10.1039/c4sc00666f","","x-ray","1.54178","CuKα","","0.0363","0.0356","","","0.0922","0.0929","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517433","23.0796","0.0014","23.0796","0.0014","7.0154","0.0006","90","","90","","90","","3736.9","0.5","100","2","100","2","","","","","","","","3","I -4","I -4","82","","","","- C50 H42 N4 -","- C50 H42 N4 -","- C200 H168 N16 -","4","0.5","","Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao","Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media.","Organic letters","2014","16","17","4622","","10.1021/ol502116m","","","0.71073","MoKα","","0.085","0.0702","","","0.1794","0.1864","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517715","13.1481","0.0003","13.1481","0.0003","19.6476","0.0006","90","","90","","90","","3396.53","0.15","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C32 H46 N4 Ni O2 S2 -","- C32 H46 N4 Ni O2 S2 -","- C128 H184 N16 Ni4 O8 S8 -","4","0.5","","N. Selvakumaran; A. Pratheepkumar; S.W. Ng; Edward R.T. Tiekink; R. Karvembu","Synthesis, structural characterization and cytotoxicity of nickel(II) complexes containing 3,3-dialkyl/aryl-1-benzoylthiourea ligands","Inorganica Chimica Acta","2013","404","","82","87","","","","0.71073","MoKα","","0.036","0.0319","","","0.073","0.0771","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518220","8.005","0.001","8.005","0.001","5.399","0.002","90","","90","","90","","345.97","0.14","","","293","","","","","","","","","5","I -4","I -4","82","","","","- Cu H4 Mo N S4 -","- Cu0.535 Mo0.465 N0.5 S2 -","- Cu2.14 Mo1.86 N2 S8 -","4","0.5","","Bensch, W.; Stauber-Reichmuth, G.; Reller, A.; Oswald, H. R.","Single crystal structure of NH4CuMoS4","Revue de Chimie Minerale","1987","24","","503","508","","","x-ray","0.71069","MoKα","","","0.031","","","0.036","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519564","18.497","0.005","18.497","0.005","24.801","0.005","90","0.005","90","0.005","90","0.005","8485","4","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C122 H118 Cl10 Mn9 N58 O60 -","- C122 H102 Cl10 Mn9 N58 O60 -","- C244 H204 Cl20 Mn18 N116 O120 -","2","0.25","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C122H118Cl10Mn9N58O60","Crystal Structure Report Archive","2003","","","970","","","","","0.71073","MoKα","","0.2096","0.1341","","","0.2755","0.312","","","","","","1.115","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520264","12.5009","0.0001","12.5009","0.0001","6.9133","0.0001","90","","90","","90","","1080.36","0.02","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C20 H20 Cu F6 N4 P -","- C20 H20 Cu F6 N4 P -","- C40 H40 Cu2 F12 N8 P2 -","2","0.25","","Coles, Simon J.; Hursthouse, Michael B.; Sengul, Abdurrahaman; Altin, Safinaz; Kurt, Ozgur","tetrakis(Pyridine)-copper(i), hexafluorophosphate","Crystal Structure Report Archive","2008","","","385","","","","","0.71073","MoKα","","0.0263","0.025","","","0.0636","0.0643","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521080","5.5073","","5.5073","","9.9374","","90","","90","","90","","301.405","","","","","","","","","","","","","2","I -4","I -4","82","","","","- Ge Se2 -","- Ge Se2 -","- Ge4 Se8 -","4","0.5","","Grzechnik, A.; Mezouar, M.; Stolen, S.; Bakken, E.; Grande, T.","Structural transformations in three-dimensional crystalline Ge Se2 at high pressures and high temperatures","Journal of Solid State Chemistry","2000","150","","121","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524267","5.456","","5.456","","10.22","","90","","90","","90","","304.228","","","","","","","","","","","","","3","I -4","I -4","82","","Mn0.75 Ga2.17 S4","","- Ga2.17 Mn0.75 S4 -","- Ga2.17 Mn0.75 S4 -","- Ga4.34 Mn1.5 S8 -","2","0.25","","Dogguy Smiri, L.; Pardo, M.P.; Dung, N.H.","Macle et structure cristalline de Mn0.75 Ga2.17 S4","Materials Research Bulletin","1978","13","","661","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","144987","2020-10-21","18:00:00",""
"1525426","5.241","","5.241","","11.033","","90","","90","","90","","303.055","","","","","","","","","","","","","3","I -4","I -4","82","","Ca Li2 U F8","","- Ca Li U -","- Ca Li U -","- Ca2 Li2 U2 -","2","0.25","","Vedrine, A.; Cousseins, J.C.; Baraduc, L.","Sur une nouvelle famille de composes M(II) M(IV) Li2 F8 de structure apparentee a celle de la Scheelite","Materials Research Bulletin","1973","8","","581","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526195","9.733","","9.733","","4.7805","","90","","90","","90","","452.863","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Mo2.675 Ni0.325 P -","- Mo2.675 Ni0.325 P -","- Mo21.4 Ni2.6 P8 -","8","1","","Orishchin, S.V.; Bauer, J.; Deputier, S.; le Senechal, C.; Guerin, R.; Aksel'rud, L.G.","New ternary phases in the Mo - Ni - P system: synthesis and crystal structures","Journal of Solid State Chemistry","2001","160","","156","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526197","5.3167","","5.3167","","10.2858","","90","","90","","90","","290.752","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 Se4 -","- Cd Ga2 Se4 -","- Cd2 Ga4 Se8 -","2","0.25","","Grzechnik, A.; Ursaki, V.V.; Syassen, K.; Tiginyanu, I.M.; Loa, I.; Hanfland, M.","Pressure-induced phase transitions in cadmium thiogallate Cd Ga2 Se4","Journal of Solid State Chemistry","2001","160","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526327","5.441","","5.441","","12.068","","90","","90","","90","","357.267","","","","","","","","","","","","","4","I -4","I -4","82","","Pb (Mo0.64 W0.36) O4","","- Mo0.64 O4 Pb W0.36 -","- Mo0.64 O4 Pb W0.36 -","- Mo2.56 O16 Pb4 W1.44 -","4","0.5","","Hibbs, D.E.; Jury, C.M.; Williams, P.A.; Leverett, P.; Plimer, I.R.","An explanation for the origin of hemihedrism in wulfenite: the single crystal structures of I41/a and I4- tungstenian wulfenites","Mineralogical Magazine (1969-)","2000","64","","1057","1062","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527531","8.87","","8.87","","4.67","","90","","90","","90","","367.421","","","","","","","","","","","","","3","I -4","I -4","82","","Na Cu O","","- Cu Na O -","- Cu Na O -","- Cu8 Na8 O8 -","8","1","","Hoppe, R.; Hestermann, K.; Schenk, F.","Neue Oxocuprate(I). Na Cu O und Rb Cu O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","367","","275","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527532","9.56","","9.56","","5.81","","90","","90","","90","","530.997","","","","","","","","","","","","","3","I -4","I -4","82","","Rb Cu O","","- Cu O Rb -","- Cu O Rb -","- Cu8 O8 Rb8 -","8","1","","Hoppe, R.; Hestermann, K.; Schenk, F.","Neue Oxocuprate(I). Na Cu O und Rb Cu O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","367","","275","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528540","4.49","","4.49","","6.9","","90","","90","","90","","139.105","","","","","","","","","","","","","3","I -4","I -4","82","","Be S O4","","- Be O4 S -","- Be O4 S -","- Be2 O8 S2 -","2","0.25","","Grund, A.","Die Kristallstruktur von Be S O4","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1955","5","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528945","18.6838","","18.6838","","13.3829","","90","","90","","90","","4671.76","","","","","","","","","","","","","6","I -4","I -4","82","","(Mn12 O12 ((C F2 Cl) C O O)16 (H2 O)4) (H2 O)4","","- C32 H16 Cl16 F32 Mn12 O52 -","- C32 H16 Cl16 F32 Mn12 O52 -","- C64 H32 Cl32 F64 Mn24 O104 -","2","0.25","","Tsai Huilieu; Shiao Hongann; Lee Genehsiang; Wur Chingshuei; Jwo Tunyih; Yang Cheni","Single-molecule magnets: [Mn12 O12 (O2 C C F2 Cl)16 (H2 O)4](0/-)","Polyhedron","2005","24","","2205","2214","","","","","","","","","","","","","","","","","","","","","","has coordinates","151797","2020-10-21","18:00:00",""
"1529581","5.6523","","5.6523","","8.0084","","90","","90","","90","","255.856","","","","","","","","","","","","","4","I -4","I -4","82","","La W O0.6 N2.4","","- La N2.4 O0.6 W -","- La N2.39 O0.61 W -","- La4 N9.56 O2.44 W4 -","4","0.5","","Bacher, P.; Laurent, Y.; Antoine, P.; L'Haridon, P.; Marchand, R.; Roult, G.","Time-of-flight neutron diffraction study of the structure of the perovskite-type oxynitride LaWO~0.6N~2.4~","Journal of Solid State Chemistry","1988","77","1","67","71","10.1016/0022-4596(88)90091-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529676","4.621","","4.621","","7.007","","90","","90","","90","","149.625","","","","","","","","","","","","","3","I -4","I -4","82","","P O N","","- N O P -","- N O P -","- N4 O4 P4 -","4","0.5","","Bondars, B.Ya.; Vitola, A.A.; Millers, T.N.; Ozolins, G.; Sila, Z.","Investigation of the structure of phosphorous oxynitride","Latvijas PSR Zinatnu Akademijas Vestis, Khimijas Serija","1977","1977","","632","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530051","5.427","","5.427","","10.871","","90","","90","","90","","320.176","","","","","","","","","","","","","5","I -4","I -4","82","","Cu1.98 (Zn0.72 Fe0.28) Sn0.99 S4","","- Cu1.98 Fe0.28 S4 Sn0.99 Zn0.72 -","- Cu1.98 Fe0.28 S4 Sn0.99 Zn0.72 -","- Cu3.96 Fe0.56 S8 Sn1.98 Zn1.44 -","2","0.25","","Hall, S.R.; Szymanski, J.T.; Stewart, J.M.","Kesterite, Cu2 (Zn, Fe) Sn S4, and stannite, Cu2 (Fe, Zn) Sn S4, structurally similar but distinct minerals","Canadian Mineralogist","1978","16","","131","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","155014","2020-10-21","18:00:00",""
"1530104","11.716","","11.716","","8.988","","90","","90","","90","","1233.73","","","","","","","","","","","","","5","I -4","I -4","82","","(Re (C O)3 F)4 (H2 O)4","","- C12 H8 F4 O16 Re4 -","- C12 F4 O16 Re4 -","- C24 F8 O32 Re8 -","2","0.25","","Horn, E.; Snow, M.R.","A tetranuclear carbonyl fluoro rhenium(I) cluster, (Re (C O)3 F)4 (H2 O)4","Australian Journal of Chemistry","1981","34","","737","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","155079","2020-10-21","18:00:00",""
"1531101","5.1063","","5.1063","","10.5248","","90","","90","","90","","274.427","","","","","","","","","","","","","4","I -4","I -4","82","","Li2 Ca Hf F8","","- Ca F8 Hf Li2 -","- Ca F8 Hf Li2 -","- Ca2 F16 Hf2 Li4 -","2","0.25","","Ayala, A.; Paschoal, C.W.A.; Castellano, E.E.; Gesland, J.Y.; Ellena, J.; Moreira, R.L.","Single-crystal structure determination and infrared reflectivity study of the Li2 Ca Hf F8 scheelite","Journal of Physics: Condensed Matter","2002","14","","5485","5495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531463","5.777","","5.777","","11.557","","90","","90","","90","","385.7","","","","","","","","","","","","","3","I -4","I -4","82","","Hg2 Sn Se4","","- Hg2 Se4 Sn -","- Hg2 Se4 Sn -","- Hg4 Se8 Sn2 -","2","0.25","","Gulay, L.D.; Parasyuk, O.V.","Crystal structure of the Ag2.66 Hg2 Sn1.34 Se6 and Hg2 Sn Se4 compounds","Journal of Alloys Compd.","2002","337","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531663","5.738","","5.738","","8.914","","90","","90","","90","","293.49","","","","","","","","","","","","","4","I -4","I -4","82","","Li Zn (P S4)","","- Li P S4 Zn -","- Li P S4 Zn -","- Li2 P2 S8 Zn2 -","2","0.25","","Joergens, S.; Johrendt, D.; Mewis, A.","Motive dichtester Kugelpackungen: die Verbindungen Zn3 (P S4)2 und Li Zn P S4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1765","1769","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532042","5.6786","","5.6786","","11.2579","","90","","90","","90","","363.028","","","","","","","","","","","","","3","I -4","I -4","82","","Hg2 (Ge Se4)","","- Ge Hg2 Se4 -","- Ge Hg2 Se4 -","- Ge2 Hg4 Se8 -","2","0.25","","Parasyuk, O.V.; Gulay, L.D.; Piskach, L.V.; Romanyuk, Ya.E.; Olekseyuk, I.D.","The (Ag2 Se) - (Hg Se) -(Ge Se2) system and crystal structures of the compounds","Journal of Alloys Compd.","2003","351","","135","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534776","11.749","","11.749","","16.807","","90","","90","","90","","2320.02","","","","","","","","","","","","","5","I -4","I -4","82","","Li4 (Ru (N O2)6) (H2 O)12","","- H24 Li4 N6 O24 Ru -","- Li4 N6 O24 Ru -","- Li16 N24 O96 Ru4 -","4","0.5","","Gromilov, S.A.; Emel'yanov, V.A.; Baidina, I.A.; Alekseev, V.I.; Belyaev, A.V.","Synthesis and crystal structure of lithium and potassium hexanitroruthenates(II)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1994","35","","171","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534911","12.2726","","12.2726","","11.4535","","90","","90","","90","","1725.09","","","","","","","","","","","","","4","I -4","I -4","82","","(Bi4 Te4) (Al Cl4)4","","- Al4 Bi4 Cl16 Te4 -","- Al4 Bi4 Cl16 Te4 -","- Al8 Bi8 Cl32 Te8 -","2","0.25","","Beck, J.; Schlueter, S.; Dolg, M.","(Bi4 Te4)(4+) - a cube-shaped, polycationic main group element cluster","Angew. Chem. Int. ed.","2001","40","","2287","2290","","","","","","","","","","","","","","","","","","","","","","has coordinates","161983","2020-10-21","18:00:00",""
"1534965","4.46577","","4.46577","","6.81389","","90","","90","","90","","135.89","","","","","","","","","","","","","3","I -4","I -4","82","","B (As O4)","","- As B O4 -","- As B O4 -","- As2 B2 O8 -","2","0.25","","Haines, J.; Chateau, C.; Leger, J.M.; Bogicevic, C.; Hull, S.; Klug, D.D.; Tse, J.S.","Collapsing cristobalitelike structures in silica analogues at high pressure","Physical Review Letters","2003","91","","015503","015503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535034","11.816","","11.816","","11.0475","","90","","90","","90","","1542.43","","","","","","","","","","","","","4","I -4","I -4","82","","(Bi4 S4) (Al Cl4)4","","- Al4 Bi4 Cl16 S4 -","- Al4 Bi4 Cl16 S4 -","- Al8 Bi8 Cl32 S8 -","2","0.25","","Beck, J.; Zotov, N.; Schlueter, S.","The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2512","2519","","","","","","","","","","","","","","","","","","","","","","has coordinates","162158","2020-10-21","18:00:00",""
"1535036","11.9932","","11.9932","","11.1864","","90","","90","","90","","1609.02","","","","","","","","","","","","","4","I -4","I -4","82","","(Bi4 Se4) (Al Cl4)4","","- Al4 Bi4 Cl16 Se4 -","- Al4 Bi4 Cl16 Se4 -","- Al8 Bi8 Cl32 Se8 -","2","0.25","","Beck, J.; Schlueter, S.; Zotov, N.","The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2512","2519","","","","","","","","","","","","","","","","","","","","","","has coordinates","162162","2020-10-21","18:00:00",""
"1535381","12.816","","12.816","","7.581","","90","","90","","90","","1245.18","","","","","","","","","","","","","3","I -4","I -4","82","","Sb Cl3 F2","","- Cl3 F2 Sb -","- Cl3 F2 Sb -","- Cl24 F16 Sb8 -","8","1","","Minkwitz, R.; Preut, H.; Kornath, A.","Ueber die Reaktion von HCl im System HF/SbF3 und die Kristallstruktur von SbCl3F2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","638","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535838","5.037","","5.037","","10.28","","90","","90","","90","","260.818","","","","","","","","","","","","","3","I -4","I -4","82","","Li N D2","","- D2 Li N -","- D2 Li N -","- D16 Li8 N8 -","8","1","","Nagib, M.; Jacobs, H.","Neutronenbeugung an Lithiumdeuteroamid","Atomkernenergie","1973","21","","275","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537150","19.491","","19.491","","25.783","","90","","90","","90","","9794.94","","","","","","","","","","","","","6","I -4","I -4","82","","K Na27 (As4 W40 O140) (H2 O)56","","- As4 H112 K Na27 O196 W40 -","- As4 K Na26 O194 W40 -","- As8 K2 Na52 O388 W80 -","2","0.25","","Rosu, C.; Crans, D.C.; Weakley, T.J.R.","Rational synthesis and X-ray structure of (Mn(II)4 (H2 O)2 (As(V) W9 O34)2)(10-) from (As(III)4 W40 O140)(28-), (Mn O4)(-) and Mn(2+)","Polyhedron","2002","21","","959","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537364","5.564","","5.564","","10.32","","90","","90","","90","","319.488","","","","","","","","","","","","","3","I -4","I -4","82","","Cd Al2 S4","","- Al2 Cd S4 -","- Al2 Cd S4 -","- Al4 Cd2 S8 -","2","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537365","5.488","","5.488","","10.26","","90","","90","","90","","309.012","","","","","","","","","","","","","3","I -4","I -4","82","","Hg Al2 S4","","- Al2 Hg S4 -","- Al2 Hg S4 -","- Al4 Hg2 S8 -","2","0.25","","Hahn, H.; Klingler, W.; Frank, G.; Stoerger, A.D.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537366","5.503","","5.503","","10.9","","90","","90","","90","","330.085","","","","","","","","","","","","","3","I -4","I -4","82","","Zn Al2 Se4","","- Al2 Se4 Zn -","- Al2 Se4 Zn -","- Al4 Se8 Zn2 -","2","0.25","","Hahn, H.; Klingler, W.; Frank, G.; Stoerger, A.D.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537367","5.747","","5.747","","10.68","","90","","90","","90","","352.739","","","","","","","","","","","","","3","I -4","I -4","82","","Cd Al2 Se4","","- Al2 Cd Se4 -","- Al2 Cd Se4 -","- Al4 Cd2 Se8 -","2","0.25","","Hahn, H.; Stoerger, G.; Frank, G.; Klingler, W.; Stoerger, A.D.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537368","5.708","","5.708","","10.74","","90","","90","","90","","349.923","","","","","","","","","","","","","3","I -4","I -4","82","","Hg Al2 Se4","","- Al2 Hg Se4 -","- Al2 Hg Se4 -","- Al4 Hg2 Se8 -","2","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Stoerger, G.; Stoerger, A.D.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537369","5.916","","5.916","","12.05","","90","","90","","90","","421.739","","","","","","","","","","","","","3","I -4","I -4","82","","Zn Al2 Te4","","- Al2 Te4 Zn -","- Al2 Te4 Zn -","- Al4 Te8 Zn2 -","2","0.25","","Hahn, H.; Frank, G.; Stoerger, A.D.; Klingler, W.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537370","6.011","","6.011","","12.21","","90","","90","","90","","441.173","","","","","","","","","","","","","3","I -4","I -4","82","","Cd Al2 Te4","","- Al2 Cd Te4 -","- Al2 Cd Te4 -","- Al4 Cd2 Te8 -","2","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537371","6.004","","6.004","","12.11","","90","","90","","90","","436.541","","","","","","","","","","","","","3","I -4","I -4","82","","Hg Al2 Te4","","- Al2 Hg Te4 -","- Al2 Hg Te4 -","- Al4 Hg2 Te8 -","2","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537372","5.576","","5.576","","10.074","","90","","90","","90","","313.219","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 S4 -","- Cd Ga2 S4 -","- Cd2 Ga4 S8 -","2","0.25","","Hahn, H.; Frank, G.; Stoerger, A.D.; Klingler, W.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537373","5.743","","5.743","","10.73","","90","","90","","90","","353.897","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 Se4 -","- Cd Ga2 Se4 -","- Cd2 Ga4 Se8 -","2","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Stoerger, G.; Stoerger, A.D.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537374","5.715","","5.715","","10.78","","90","","90","","90","","352.088","","","","","","","","","","","","","3","I -4","I -4","82","","Hg Ga2 Se4","","- Ga2 Hg Se4 -","- Ga2 Hg Se4 -","- Ga4 Hg2 Se8 -","2","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537375","6.093","","6.093","","11.81","","90","","90","","90","","438.442","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 Te4 -","- Cd Ga2 Te4 -","- Cd2 Ga4 Te8 -","2","0.25","","Hahn, H.; Stoerger, A.D.; Klingler, W.; Frank, G.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537376","5.711","","5.711","","11.42","","90","","90","","90","","372.469","","","","","","","","","","","","","3","I -4","I -4","82","","Zn In2 Se4","","- In2 Se4 Zn -","- In2 Se4 Zn -","- In4 Se8 Zn2 -","2","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Stoerger, G.; Stoerger, A.D.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537377","5.764","","5.764","","11.8","","90","","90","","90","","392.04","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Hg In2 Se4 -","- Hg In2 Se4 -","- Hg2 In4 Se8 -","2","0.25","","Hahn, H.; Stoerger, G.; Frank, G.; Stoerger, A.D.; Klingler, W.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537378","6.122","","6.122","","12.24","","90","","90","","90","","458.742","","","","","","","","","","","","","3","I -4","I -4","82","","Zn In2 Te4","","- In2 Te4 Zn -","- In2 Te4 Zn -","- In4 Te8 Zn2 -","2","0.25","","Hahn, H.; Frank, G.; Klingler, W.; Stoerger, A.D.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537379","6.205","","6.205","","12.401","","90","","90","","90","","477.464","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd In2 Te4 -","- Cd In2 Te4 -","- Cd2 In4 Te8 -","2","0.25","","Hahn, H.; Frank, G.; Stoerger, A.D.; Klingler, W.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537380","6.186","","6.186","","12.37","","90","","90","","90","","473.358","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Hg In2 Te4 -","- Hg In2 Te4 -","- Hg2 In4 Te8 -","2","0.25","","Hahn, H.; Frank, G.; Stoerger, A.D.; Klingler, W.; Stoerger, G.","Ueber ternaere Chalkogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber","Zeitschrift fuer Anorganische und Allgemeine Chemie","1955","279","","241","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537408","9.32","","9.32","","5.46","","90","","90","","90","","474.269","","","","","","","","","","","","","3","I -4","I -4","82","","K Cu O","","- Cu K O -","- Cu K O -","- Cu8 K8 O8 -","8","1","","Hestermann, K.; Hoppe, R.","Notiz ueber K Cu O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","360","","113","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537483","5.554","","5.554","","12.33","","90","","90","","90","","380.342","","","","","","","","","","","","","3","I -4","I -4","82","","Li S H","","- H Li S -","- H Li S -","- H8 Li8 S8 -","8","1","","Juza, R.; Laurer, P.","Zur Kenntnis des Lithiumhydrogensulfids","Zeitschrift fuer Anorganische und Allgemeine Chemie","1954","275","","79","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","189207","2020-10-21","18:00:00",""
"1537683","9.178","","9.178","","4.608","","90","","90","","90","","388.158","","","","","","","","","","","","","2","I -4","I -4","82","","","","- Mn3 P -","- Mn3 P -","- Mn24 P8 -","8","1","","Arstad, O.; Nowotny, H.","Roentgenographische Untersuchungen im System Mn-P","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","38","","356","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538494","12.71","","12.71","","7.84","","90","","90","","90","","1266.51","","","","","","","","","","","","","3","I -4","I -4","82","","Ta Cl4 F","","- Cl4 F Ta -","- Cl4 F Ta -","- Cl32 F8 Ta8 -","8","1","","Preiss, H.","Die Kritallstruktur von Ta Cl4 F","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","346","","272","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539713","10.1797","","10.1797","","3.8585","","90","","90","","90","","399.842","","","","","","","","","","","","","3","I -4","I -4","82","","Tl Cu7 S4","","- Cu7 S4 Tl -","- Cu7 S4 Tl -","- Cu14 S8 Tl2 -","2","0.25","","Berger, R.A.; Sobott, R.J.","Characterization of Tl Cu7 S4, a crookesite analogue","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1987","118","","967","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541199","8.92","","8.92","","12.63","","90","","90","","90","","1004.92","","","","","","","","","","","","","2","I -4","I -4","82","","Tl5 Te3","","- Te3 Tl5 -","- Te3 Tl5 -","- Te12 Tl20 -","4","0.5","","Man, L.I.; Imamov, R.M.; Pinsker, Z.G.","Crystal structure of thallium telluride, Tl5 Te3","Soviet Physics, Crystallography (= Kristallografiya)","1971","16","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","172469","2020-10-21","18:00:00",""
"1541826","16.423","","16.423","","7.658","","90","","90","","90","","2065.48","","","","","","","","","","","","","7","I -4","I -4","82","","Rb ((C F3)2 (S O2)2 N) (H2 O)","","- C2 H2 F6 N O5 Rb S2 -","- C2 H2 F6 N O5 Rb S2 -","- C16 H16 F48 N8 O40 Rb8 S16 -","8","1","","Xue, L.-X.; Pennington, W.T.; Padgett, C.W.; DesMarteau, D.D.","Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide","Solid State Sciences","2002","4","","1535","1545","","","","","","","","","","","","","","","","","","","","","","has coordinates","198667","2020-10-21","18:00:00",""
"1542226","17.27","","17.27","","4.27","","90","","90","","90","","1273.54","","","","","","","","","","","","","6","I -4","I -4","82","","Hg (S C (N H2)2)4 Co (S C N)4","","- C8 H16 Co Hg N12 S8 -","- C8 H16 Co Hg N12 S8 -","- C16 H32 Co2 Hg2 N24 S16 -","2","0.25","","Korczynski, A.; Porai-Koshits, M. A.","The Crystal Structure of Hg (S C (N H2)2)4 Co (S C N)4","Roczniki Chemii","1965","39","","1567","1584","","","","","","","","","","","","","","","","","","","","","","has coordinates","189494","2020-10-21","18:00:00",""
"1542355","28.715","0.004","28.715","0.004","7.0017","0.0009","90","","90","","90","","5773.3","1.4","173","2","173","2","","","","","","","","8","I -4","I -4","82","","","","- C21 H34 Cl3 Co F6 N5 O2 P -","- C20 H32 Cl Co F6 N5 O2 P -","- C160 H256 Cl8 Co8 F48 N40 O16 P8 -","8","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0946","0.0964","","","","","","1.07","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542888","19.4893","0.0016","19.4893","0.0016","21.1331","0.0018","90","","90","","90","","8027","1.2","296","2","296.15","","","","","","","","","6","I -4","I -4","82","","","","- C31 H34 N2 O4 P2 Ru -","- C31 H34 N2 O4 P2 Ru -","- C248 H272 N16 O32 P16 Ru8 -","8","1","","Tan, Xuefeng; Wang, Guozhen; Zhu, Ziyue; Ren, Conghui; Zhou, Jinping; Lv, Hui; Zhang, Xiaoyong; Chung, Lung Wa; Zhang, Lina; Zhang, Xumu","Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex.","Organic letters","2016","18","7","1518","1521","10.1021/acs.orglett.6b00060","","","0.71073","MoKα","","0.0595","0.039","","","0.0843","0.0926","","","","","","1.007","","","","has coordinates,has disorder","181443","2020-10-21","18:00:00",""
"1543414","26.8758","0.0004","26.8758","0.0004","7.1689","0.0001","90","","90","","90","","5178.16","0.13","300","2","300","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.88 I1.88 N4 S3.01 -","- C45 H32 Cu1.88 I1.88 N4 S3.012 -","- C180 H128 Cu7.52 I7.52 N16 S12.048 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.0441","0.0389","","","0.1115","0.1182","","","","","","1.079","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543415","26.8987","0.0005","26.8987","0.0005","7.1788","0.0001","90","","90","","90","","5194.15","0.15","350","2","350","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.88 I1.88 N4 S3.01 -","- C45 H32 Cu1.8762 I1.8762 N4 S3.012 -","- C180 H128 Cu7.5048 I7.5048 N16 S12.048 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.046","0.0412","","","0.1146","0.1203","","","","","","1.053","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543416","26.8664","0.0004","26.8664","0.0004","7.1717","0.0001","90","","90","","90","","5176.56","0.13","300","2","300","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.85 I1.85 N4 S3 -","- C45 H32 Cu1.848 I1.848 N4 S3.008 -","- C180 H128 Cu7.392 I7.392 N16 S12.032 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.7","synchrotron","","0.0453","0.0356","","","0.0974","0.1048","","","","","","0.993","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1546292","9.1545","0.0005","9.1545","0.0005","17.181","0.0008","90","","90","","90","","1439.85","0.13","","","293","","","","","","","","","6","I -4","I -4","82","","","","- C8 H44 Al N9 O16 P4 -","- C8 H44 Al N9 O16 P4 -","- C16 H88 Al2 N18 O32 P8 -","2","0.25","","Riou, D.; Loiseau, T.; Ferey, G.","Structure determination of (N2C2H10)4(NH4)AlP4O16 : a new aluminophosphate templated by ethylenediamine","Journal of Solid State Chemistry","1992","99","","414","418","10.1016/0022-4596(92)90332-P","","x-ray","0.71069","MoKα","","","0.022","","","0.023","","","","","","","","","","","has coordinates","197737","2020-10-21","18:00:00",""
"1546581","10.256","0.008","10.256","0.008","13.16","0.01","90","","90","","90","","1384.2","1.9","113","2","113","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H16 N10 Ni S4 -","- C28 H16 N10 Ni S4 -","- C56 H32 N20 Ni2 S8 -","2","0.25","","Xue, Dan; Luo, Su-Ping; Zhan, Shu-Zhong","A coordinatively saturated nickel complex supported by triazenido ligands: a new electrocatalyst for hydrogen generation via ligand-centered proton-transfer","New Journal of Chemistry","2017","41","16","8503","8508","10.1039/C7NJ01705G","","","0.71073","MoKα","","0.0713","0.0678","","","0.1619","0.1654","","","","","","1.031","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546652","20.4402","0.0006","20.4402","0.0006","5.7266","0.0004","90","","90","","90","","2392.58","0.19","173","2","173","2","","","","","","","","4","I -4","I -4","82","","(Benzylthiolato-κ<i>S</i>)phenylmercury(II)","","- C13 H12 Hg S -","- C13 H12 Hg S -","- C104 H96 Hg8 S8 -","8","1","SJ4103","Nath, Paras; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P.","(Benzylthiolato-κS)phenylmercury(II)","IUCrData","2017","2","4","","","10.1107/S241431461700503X","","","0.71073","MoKα","","0.0428","0.0351","","","0.07","0.0749","","","","","","1.042","","","","has coordinates,has Fobs","199246","2020-10-21","18:00:00",""
"1547692","13.2646","0.0007","13.2646","0.0007","7.5238","0.0005","90","","90","","90","","1323.81","0.13","273","2","273","2","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 O12 P4 -","- C25 H24 O12 P4 -","- C50 H48 O24 P8 -","2","0.25","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0516","0.0432","","","0.1028","0.1218","","","","","","1.075","","","","has coordinates","202055","2020-10-21","18:00:00",""
"1547734","17.5556","0.0005","17.5556","0.0005","14.122","0.0007","90","","90","","90","","4352.4","0.3","100","","100","","","","","","","","","4","I -4","I -4","82","","","","- C24 H30 N4 O2 -","- C24 H30 N4 O2 -","- C192 H240 N32 O16 -","8","1","","Zhang, Shang-Shi; Xia, Jie; Wu, Jia-Qiang; Liu, Xu-Ge; Zhou, Chu-Jun; Lin, E.; Li, Qingjiang; Huang, Shi-Liang; Wang, Honggen","Three-Component Catalytic Carboxygenation of Activated Alkenes Enabled by Bimetallic Rh(III)/Cu(II) Catalysis.","Organic letters","2017","19","21","5868","5871","10.1021/acs.orglett.7b02846","","x-ray","1.54184","CuKα","","0.0455","0.0436","","","0.1245","0.1266","","","","","","1.072","","","","has coordinates","202853","2020-10-21","18:00:00",""
"1548642","30.0315","0.0004","30.0315","0.0004","8.8752","0.0002","90","","90","","90","","8004.5","0.2","123.15","","123.15","","","","","","","","","5","I -4","I -4","82","","","","- C124 H230 N20 Ni4 O61 -","- C124 H156 N20 Ni4 O61 -","- C248 H312 N40 Ni8 O122 -","2","0.25","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.5418","CuKα","","0.0659","0.0655","","","0.1733","0.1744","","","","","","1.056","","","","has coordinates,has disorder","205022","2020-10-21","18:00:00",""
"1548666","12.589","0.007","12.589","0.007","13.689","0.007","90","","90","","90","","2169","2","223","2","223","2","","","","","","","","6","I -4","I -4","82","","Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)","","- C36 H56 Fe O4 P Si4 -","- C36 H56 Fe O4 P Si4 -","- C72 H112 Fe2 O8 P2 Si8 -","2","0.25","SJ4151","Hay, Michael T.; Yennawar, Hemant P.","Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)","IUCrData","2018","3","1","x171823","","10.1107/S2414314617018235","","","0.71073","MoKα","","0.044","0.0361","","","0.075","0.078","","","","","","0.916","","","","has coordinates,has Fobs","206147","2020-10-21","18:00:00",""
"1549705","13.2989","0.0003","13.2989","0.0003","17.4417","0.0006","90","","90","","90","","3084.75","0.14","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H60 B F24 Fe P4 -","- C52 H60 B F24 Fe P4 -","- C104 H120 B2 F48 Fe2 P8 -","2","0.25","","Doyle, Laurence R.; Scott, Daniel J.; Hill, Peter J.; Fraser, Duncan A. X.; Myers, William K.; White, Andrew J. P.; Green, Jennifer C.; Ashley, Andrew E.","Reversible coordination of N<sub>2</sub> and H<sub>2</sub> to a homoleptic <i>S</i> = 1/2 Fe(i) diphosphine complex in solution and the solid state.","Chemical science","2018","9","37","7362","7369","10.1039/c8sc01841c","","","0.71073","MoKα","","0.0596","0.0466","","","0.0997","0.1067","","","","","","1.042","","","","has coordinates,has disorder","228659","2020-10-21","18:00:00",""
"1551847","20.205","0.005","20.205","0.005","7.278","0.002","90","","90","","90","","2971.2","1.3","296","","296","","","","","","","","","3","I -4","I -4","82","E4-1c","tetrakis(4-((E)-(4-(tert-butyl)phenyl)diazenyl)phenyl)methane","","- C16.25 H17 N2 -","- C16.25 H17 N2 -","- C130 H136 N16 -","8","1","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.4675","0.1362","","","0.266","0.4348","","","","","","0.94","","","","has coordinates","216468","2020-10-21","18:00:00",""
"1553019","21.9204","0.0005","21.9204","0.0005","14.1057","0.0004","90","","90","","90","","6777.8","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C32 H25 N6 O8 S2 -","- C32 H25 N6 O8 S2 -","- C256 H200 N48 O64 S16 -","8","1","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","1.54178","CuKα","","0.1102","0.0941","","","0.2457","0.2633","","","","","","1.036","","","","has coordinates","232968","2020-10-21","18:00:00",""
"1555865","22.2417","0.0015","22.2417","0.0015","12.1892","0.001","90","","90","","90","","6029.9","0.8","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C104 H92 B4 F8 N8 O4 -","- C104 H92 B4 F8 N8 O4 -","- C208 H184 B8 F16 N16 O8 -","2","0.25","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.0496","0.0472","","","0.1012","0.1024","","","","","","1.108","","","","has coordinates","239190","2020-10-21","18:00:00",""
"1556931","18.1165","0.0005","18.1165","0.0005","12.8619","0.0011","90","","90","","90","","4221.4","0.4","150","0.1","150","0.1","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C200 H192 N16 O32 -","8","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0516","0.0405","","","0.0816","0.0871","","","","","","1.014","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1557299","6.0826","0.0012","6.0826","0.0012","8.792","0.002","90","","90","","90","","325.29","0.12","298","2","298","2","","","","","","","","3","I -4","I -4","82","","","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0354","0.0297","","","0.0801","0.0836","","","","","","1.024","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557980","13.93535","0.00018","13.93535","0.00018","13.1629","0.0003","90","","90","","90","","2556.16","0.07","293","2","293","2","","","","","","","","3","I -4","I -4","82","2,3-Diethylbenzo[g]quinoxaline","2,3-Diethylbenzo[<i>g</i>]quinoxaline","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","HB4346","Crundwell, Guy; Leeds, Ashley","2,3-Diethylbenzo[<i>g</i>]quinoxaline","IUCrData","2020","5","4","x200454","","10.1107/S241431462000454X","","x-ray","0.71073","MoKα","","0.0627","0.0477","","","0.1256","0.136","","","","","","1.037","","","","has coordinates,has Fobs","251360","2020-10-21","18:00:00",""
"1558080","13.3726","0.001","13.3726","0.001","21.0511","0.0017","90","","90","","90","","3764.5","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C56 H128 Ce N16 P4 -","- C56 H128 Ce N16 P4 -","- C112 H256 Ce2 N32 P8 -","2","0.25","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.","Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.","Chemical science","2020","11","24","6149","6159","10.1039/d0sc01414a","","","0.71073","MoKα","","0.0266","0.0263","","","0.0689","0.0692","","","","","","1.048","","","","has coordinates","256038","2020-10-21","18:00:00",""
"1558634","20.0773","0.0005","20.0773","0.0005","23.9655","0.0008","90","","90","","90","","9660.4","0.5","223","1","223","1","","","","","","","","5","I -4","I -4","82","","","","- C240 H168 N12 O38 Pd2 -","- C240 H168 N12 O38 Pd2 -","- C480 H336 N24 O76 Pd4 -","2","0.25","","Tsutsui, Takahiro; Catti, Lorenzo; Yoza, Kenji; Yoshizawa, Michito","An Atropisomeric M2L4 Cage Mixture Displaying Guest-Induced Convergence and Strong Guest Emission in Water","Chemical Science","2020","","","","","10.1039/D0SC03223A","","","0.71073","MoKα","","0.1256","0.0991","","","0.2732","0.3162","","","","","","1.332","","","","has coordinates,has disorder","254419","2020-10-21","18:00:00",""
"1561464","12.1173","0.0004","12.1173","0.0004","5.6795","0.0002","90","","90","","90","","833.92","0.05","300","2","300","2","","","","","","","","5","I -4","I -4","82","","","","- F Ge4 Na5 O16 Pr4 -","- F Ge4 Na5 O16 Pr4 -","- F2 Ge8 Na10 O32 Pr8 -","2","0.25","","Latshaw, Allison M.; Wilkins, Branford O.; Morrison, Gregory; Smith, Mark D.; zur Loye, Hans-Conrad","A5RE4X[TO4]4 crystal growth: Fluoride flux synthesis of Na5Ln4F[GeO4]4 (Ln=Pr, Nd), the first quaternary germanate oxyfluorides","Journal of Solid State Chemistry","2016","239","","200","203","10.1016/j.jssc.2016.04.038","","","0.71073","MoKα","","0.0128","0.0116","","","0.0209","0.021","","","","","","1.07","","","","has coordinates","263550","2021-04-02","09:20:42",""
"1561465","12.0642","0.0017","12.0642","0.0017","5.6674","0.0011","90","","90","","90","","824.9","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- F Ge4 Na5 Nd4 O16 -","- F Ge4 Na5 Nd4 O16 -","- F2 Ge8 Na10 Nd8 O32 -","2","0.25","","Latshaw, Allison M.; Wilkins, Branford O.; Morrison, Gregory; Smith, Mark D.; zur Loye, Hans-Conrad","A5RE4X[TO4]4 crystal growth: Fluoride flux synthesis of Na5Ln4F[GeO4]4 (Ln=Pr, Nd), the first quaternary germanate oxyfluorides","Journal of Solid State Chemistry","2016","239","","200","203","10.1016/j.jssc.2016.04.038","","","0.71073","MoKα","","0.0212","0.0209","","","0.0559","0.0561","","","","","","1.105","","","","has coordinates","263550","2021-04-02","09:20:51",""
"1561669","19.6886","0.0013","19.6886","0.0013","26.1118","0.0019","90","","90","","90","","10122","1.2","150","2","150.01","","","","","","","","","6","I -4","I -4","82","","","","- As4 K5 Na O170 Ru4 W40 -","- As4 K5 Na O170 Ru4 W40 -","- As8 K10 Na2 O340 Ru8 W80 -","2","0.25","","Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions.","Nanoscale","2021","13","17","8077","8086","10.1039/d1nr01447a","","","0.71073","MoKα","","0.0605","0.0481","","","0.1141","0.1196","","","","","","1.048","","","","has coordinates","266118","2021-06-05","19:13:01",""
"1563395","13.2978","0.0019","13.2978","0.0019","9.944","0.002","90","","90","","90","","1758.4","0.5","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C20 H20 Br4 Cu4 N12 -","- C20 H20 Br4 Cu4 N12 -","- C40 H40 Br8 Cu8 N24 -","2","0.25","","Wang, Li-Xia; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Synthesis and structural characterization of different topological coordination polymers based on tunable Cu4Br4−mIm secondary building units and macrocyclic azacalixaromatics","Journal of Solid State Chemistry","2010","183","12","3010","3016","10.1016/j.jssc.2010.10.011","","","0.71073","MoKα","","0.0353","0.0341","","","0.1054","0.1062","","","","","","1.182","","","","has coordinates","266431","2021-06-14","08:52:08",""
"1563396","13.2862","0.0008","13.2862","0.0008","10.0523","0.0007","90","","90","","90","","1774.5","0.2","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C20 H20 Br3.21 Cu4 I0.8 N12 -","- C20 H20 Br3.2 Cu4 I0.82 N12 -","- C40 H40 Br6.4 Cu8 I1.64 N24 -","2","0.25","","Wang, Li-Xia; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Synthesis and structural characterization of different topological coordination polymers based on tunable Cu4Br4−mIm secondary building units and macrocyclic azacalixaromatics","Journal of Solid State Chemistry","2010","183","12","3010","3016","10.1016/j.jssc.2010.10.011","","","0.71073","MoKα","","0.0388","0.0379","","","0.1098","0.1108","","","","","","1.129","","","","has coordinates,has disorder","266431","2021-06-14","08:52:11",""
"1563399","12.669","0.0018","12.669","0.0018","11.982","0.002","90","","90","","90","","1923.2","0.5","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C20 H20 Cu4 I4 N12 -","- C20 H20 Cu4 I4 N12 -","- C40 H40 Cu8 I8 N24 -","2","0.25","","Wang, Li-Xia; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Synthesis and structural characterization of different topological coordination polymers based on tunable Cu4Br4−mIm secondary building units and macrocyclic azacalixaromatics","Journal of Solid State Chemistry","2010","183","12","3010","3016","10.1016/j.jssc.2010.10.011","","","0.71073","MoKα","","0.031","0.0303","","","0.0817","0.0823","","","","","","1.1","","","","has coordinates","266431","2021-06-14","08:52:35",""
"1564220","9.5823","0.0006","9.5823","0.0006","8.038","0.0011","90","","90","","90","","738.05","0.12","100","","100","","","","","","","","","3","I -4","I -4","82","","Barium bis[tetrafluoridobromate(III)]","","- Ba Br2 F8 -","- Ba Br2 F8 -","- Ba4 Br8 F32 -","4","0.5","WM4148","Ivlev, Sergei I.; Kraus, Florian","Barium bis[tetrafluoridobromate(III)]","IUCrData","2021","6","7","x210735","","10.1107/S2414314621007355","","x-ray","1.54186","CuKα","","0.0538","0.0492","","","0.1239","0.1268","","","","","","1.077","","","","has coordinates,has Fobs","267671","2021-07-21","05:40:01",""
"1564703","15.9744","0.0002","15.9744","0.0002","19.4804","0.0005","90","","90","","90","","4971.04","0.16","100.03","0.19","100.03","0.19","","","","","","","","7","I -4","I -4","82","","InOC-5","","- C56 H88 Cl6 F4 In12 N8 O26 -","- C56 H88 Cl6 F4 In12 N8 O26 -","- C112 H176 Cl12 F8 In24 N16 O52 -","2","0.25","","Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei","Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications","Chemical Science","2021","","","","","10.1039/D1SC04491E","","","1.54178","CuKα","","0.028","0.0275","","","0.0709","0.0712","","","","","","1.086","","","","has coordinates","269243","2021-09-22","22:11:57",""
"1564704","16.1018","0.0004","16.1018","0.0004","20.4257","0.0008","90","","90","","90","","5295.7","0.3","100.01","0.12","100.01","0.12","","","","","","","","6","I -4","I -4","82","","InOC-4","","- C56 H68 Br6 In12 N12 O34 -","- C56 H72 Br6 In12 N12 O34 -","- C112 H144 Br12 In24 N24 O68 -","2","0.25","","Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei","Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications","Chemical Science","2021","","","","","10.1039/D1SC04491E","","","1.54184","CuKα","","0.0793","0.0759","","","0.1999","0.2069","","","","","","1.067","","","","has coordinates","269243","2021-09-22","22:11:57",""
"1564705","15.9892","0.0002","15.9892","0.0002","20.3659","0.0005","90","","90","","90","","5206.63","0.16","100","0.2","100","0.2","","","","","","","","6","I -4","I -4","82","","InOC-3","","- C56 H88 Cl6 In12 N12 O34 -","- C56 H88 Cl6 In12 N12 O34 -","- C112 H176 Cl12 In24 N24 O68 -","2","0.25","","Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei","Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications","Chemical Science","2021","","","","","10.1039/D1SC04491E","","x-ray","1.54184","CuKα","","0.0601","0.0565","","","0.1445","0.1484","","","","","","1.048","","","","has coordinates","269243","2021-09-22","22:11:57",""
"1565653","15.0088","0.0006","15.0088","0.0006","14.5806","0.0013","90","","90","","90","","3284.5","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H6 N2 O12 Tb1.38 -","- C14 H6 N2 O12 Tb1.375 -","- C112 H48 N16 O96 Tb11 -","8","1","","Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus","Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks","Inorganica Chimica Acta","2020","500","","119236","","10.1016/j.ica.2019.119236","","x-ray","0.71073","MoKα","","0.0375","0.0355","","","0.0857","0.0875","","","","","","1.041","","","","has coordinates,has disorder","271324","2021-12-10","09:02:58",""
"1565654","14.9801","0.0002","14.9801","0.0002","14.6127","0.0003","90","","90","","90","","3279.14","0.09","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H6 Ho1.38 N2 O12 -","- C14 H6 Ho1.375 N2 O12 -","- C112 H48 Ho11 N16 O96 -","8","1","","Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus","Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks","Inorganica Chimica Acta","2020","500","","119236","","10.1016/j.ica.2019.119236","","x-ray","0.71073","MoKα","","0.0346","0.0335","","","0.0861","0.0871","","","","","","1.055","","","","has coordinates,has disorder","271324","2021-12-10","09:02:59",""
"1565655","14.951","0.0002","14.951","0.0002","14.61","0.0003","90","","90","","90","","3265.81","0.09","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H6 Er1.38 N2 O12 -","- C14 H6 Er1.375 N2 O12 -","- C112 H48 Er11 N16 O96 -","8","1","","Yotnoi, Bunlawee; Sinchow, Malee; Ngamjarurojana, Athipong; Rujiwatra, Apinpus","Crystal structures and photoluminescent properties of highly disordering lanthanide-2,5-pyridinedicarboxylate frameworks","Inorganica Chimica Acta","2020","500","","119236","","10.1016/j.ica.2019.119236","","x-ray","0.71073","MoKα","","0.0368","0.0349","","","0.0838","0.0851","","","","","","1.05","","","","has coordinates,has disorder","271324","2021-12-10","09:02:59",""
"1567934","9.634","0.002","9.634","0.002","6.59","0.002","90","","90","","90","","611.6","0.3","","","295","","","","","","","","","3","I -4","I -4","82","","Thallium tridecafluorotetraantimonate(III)","","- F13 Sb4 Tl -","- F13 Sb4 Tl -","- F26 Sb8 Tl2 -","2","0.25","","Udovenko, A. A.","Crystal Structure of Thallium Tridecafluorotetraantimonate(III) TlSb4F13","Russian Journal of Coordination Chemistry","2003","29","5","310","311","10.1023/A:1023615515989","","x-ray","","MoKα","","","0.032","","","","","","","","","","","","","","has coordinates","279154","2022-11-09","21:04:32",""
"1569568","36.9115","0.0018","36.9115","0.0018","8.3724","0.0004","90","","90","","90","","11407.1","1","100","","100","","","","","","","","","6","I -4","I -4","82","","","","- C50 H67.69 Cl1.25 F3 I2 N2.25 -","- C50 H67.695 Cl1.25 F3 I2 N2.25 -","- C400 H541.56 Cl10 F24 I16 N18 -","8","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0408","0.0334","","","0.0697","0.0736","","","","","","1.052","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569741","8.3614","0.0001","8.3614","0.0001","18.0048","0.0006","90","","90","","90","","1258.77","0.05","150","","150","","","","","","","","","4","I -4","I -4","82","","","","- C28 H22 Fe N8 -","- C28 H22 Fe N8 -","- C56 H44 Fe2 N16 -","2","0.25","","Johnson, Catherine Ellen; Schwarz, Jesper; Deegbey, Mawuli; Prakash, Om; Sharma, Kumkum; Huang, Ping; Ericsson, Tore; Häggström, Lennart; Bendix, Jesper; Gupta, Arvind Kumar; Jakubikova, Elena; Wärnmark, Kenneth; Lomoth, Reiner","Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited.","Chemical science","2023","14","37","10129","10139","10.1039/d3sc02806b","","","0.71073","MoKα","","0.1076","0.0893","","","0.2242","0.2463","","","","","","1.072","","","","has coordinates","286699","2023-10-05","23:43:51",""
"1569778","15.9302","0.0008","15.9302","0.0008","6.9779","0.0004","90","","90","","90","","1770.79","0.16","295","2","295","2","","","","","","","","4","I -4","I -4","82","","3-Chloro-<i>N</i>,<i>N</i>-dimethylpropan-1-aminium chloride","","- C5 H13 Cl2 N -","- C5 H13 Cl2 N -","- C40 H104 Cl16 N8 -","8","1","HB4422","Bond, Marcus R.; Silwal, Sajan","3-Chloro-<i>N</i>,<i>N</i>-di-methyl-propan-1-aminium chloride.","IUCrData","2023","8","Pt 1","x230015","","10.1107/S2414314623000159","","","0.71073","MoKα","","0.0505","0.0387","","","0.0799","0.0847","","","","","","1.092","","","","has coordinates","286009","2023-09-05","02:00:58",""
"1570991","26.5624","0.0009","26.5624","0.0009","14.7302","0.0007","90","","90","","90","","10393.1","0.7","100","2","100","","","","","","","","","6","I -4","I -4","82","","","","- C208 H216 B4 Fe4 N28 O12 -","- C208 H216 B4 Fe4 N28 O12 -","- C416 H432 B8 Fe8 N56 O24 -","2","0.25","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0316","0.0299","","","0.0763","0.0773","","","","","","1.039","","","","has coordinates","290860","2024-04-04","22:53:03",""
"1571252","22.4512","0.0008","22.4512","0.0008","10.3077","0.0005","90","","90","","90","","5195.7","0.4","150","","150","","","","","","","","","7","I -4","I -4","82","","","","- C103.44 H78.88 Cl6.88 Li4 N16 O4 P4 -","- C103.44 H78.88 Cl6.88 Li4 N16 O4 P4 -","- C206.88 H157.76 Cl13.76 Li8 N32 O8 P8 -","2","0.25","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","x-ray","1.54178","CuKα","","0.067","0.0505","","","0.1201","0.13","","","","","","1.045","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"2000021","19.432","0.004","19.432","0.004","22.574","0.004","90","","90","","90","","8524","","","","173","","","","","","","","","5","I -4","I -4","82","","","","- C65 H137 N13 S8 W6 -","- C98 H186 N18 S16 W12 -","- C392 H744 N72 S64 W48 -","4","0.5","","Venkataraman, D.; Rayburn, Lori L.; Hill, Laurie I.; Jin, Song; Malik, Abds-Sami; Turneau, Kevin J.; DiSalvo, Francis J.","An Improved High Yield Synthesis Procedure and Reactivity of W~6~S~8~(4-tert-butylpyridine)~6~","Inorganic Chemistry","1999","38","4","828","830","10.1021/ic980967s","","","","","","","0.0579","","","0.0579","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000063","10.746","0.008","10.746","0.008","10.071","0.008","90","","90","","90","","1162.96","","","","","","","","","","","","","5","I -4","I -4","82","","","","- C8 H32 N4 O16 P4 -","- C8 H32 N4 O52 P16 -","- C16 H64 N8 O104 P32 -","2","0.25","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of ethanolammonium cyclo-tetraphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","8","1416","1418","10.1107/s0108270188003981","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2002610","5.2634","0.0005","5.2634","0.0005","11.6032","0.0009","90","","90","","90","","321.4","","","","","","","","","","","","","4","I -4","I -4","82","","Silver samarium bis(molybdate)","","- Ag Mo2 O8 Sm -","- Ag Mo2 O8 Sm -","- Ag2 Mo4 O16 Sm2 -","2","0.25","","Rath, M; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Silber-Lanthanoid-Oxomolybdaten Ag Ln Mo2 O8: Einkristalluntersuchungen an Ag Sm Mo2 O8 und Ag Yb Mo2 O8 mit einer Notiz ueber mikrokristallines Material fuer Ln= Y, La","Journal of Alloys Compd.","1993","198","","193","196","10.1016/0925-8388(93)90165-J","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002611","5.1805","0.0029","5.1805","0.0029","11.3663","0.0033","90","","90","","90","","305","","","","","","","","","","","","","4","I -4","I -4","82","","Silver ytterbium bis(molybdate)","","- Ag Mo2 O8 Yb -","- Ag Mo2 O8 Yb -","- Ag2 Mo4 O16 Yb2 -","2","0.25","","Rath, M; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Silber-Lanthanoid-Oxomolybdaten Ag Ln Mo2 O8: Einkristalluntersuchungen an Ag Sm Mo2 O8 und Ag Yb Mo2 O8 mit einer Notiz ueber mikrokristallines Material fuerLn= Y, La","Journal of Alloys Compd.","1993","198","","193","196","10.1016/0925-8388(93)90165-J","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003022","8.9346","0.0002","8.9346","0.0002","8.9346","0.0002","90","","90","","90","","713.22","","","","","","","","","","","","","5","I -4","I -4","","","","","- Ca8 Ga8 H8 O32 Si4 -","- Ca8 Ga8 H8 O32 Si4 -","- Ca8 Ga8 H8 O32 Si4 -","1","0.125","","Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T.","","Acta Crystallographica, Section B","1998","54","","558","563","","","neutron","1.594","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003023","8.9345","0.0001","8.9345","0.0001","8.9345","0.0001","90","","90","","90","","713.2","","","","","","","","","","","","","5","I -4","I -4","","","","","- Ca8 Ga8 H8 O32 Si4 -","- Ca8 Ga8 H8 O32 Si4 -","- Ca8 Ga8 H8 O32 Si4 -","1","0.125","","Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T.","","Acta Crystallographica, Section B","1998","54","","558","563","","","neutron","1.594","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003028","16.481","0.002","16.481","0.002","7.131","0.004","90","","90","","90","","1936.9","1.1","293","2","293","2","","","","","","","","3","I -4","I -4","82","","Tetrakis(p-ter-butylbenzyl)Zirconium","","- C44 H60 Zr -","- C44 H60 Zr -","- C88 H120 Zr2 -","2","0.25","NA0084","Tedesco, C.; Immirzi, A.; Proto, A.","Structures of Homoleptic Benzyl Derviatives of Zirconium","Acta Crystallographica Section B","1998","54","4","431","437","10.1107/S0108768197017771","","","0.71069","MoKα","","0.0561","0.033","","0.0919","0.0822","","","","1.017","1.053","1.053","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004295","15.515","0.001","15.515","0.001","8.851","0.001","90","","90","","90","","2130.6","0.3","298","","","","","","","","","","","3","I -4","I -4","82","","","","- C13 H18 O -","- C13 H18 O -","- C104 H144 O8 -","8","1","NA1181","Bohnen, F. M.; Maier, W. F.; Krüger, C.","Tricyclo[8.2.1.0^2,9^]trideca-5,11-dien-3-ol","Acta Crystallographica Section C","1995","51","12","2639","2641","10.1107/S0108270195009590","","","0.71069","MoKα","","","0.034","","","0.102","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005512","15.7353","0.002","15.7353","","5.2803","0.0017","90","","90","","90","","1307.4","0.5","","","298","","","","","","","","","3","I -4","I -4","82","","benzenecarboximidamide","","- C7 H8 N2 -","- C7 H8 N2 -","- C56 H64 N16 -","8","1","HA1142","Barker, J.; Phillips, P. R.; Wallbridge, M. G. H.; Powell, H. R.","Benzamidine","Acta Crystallographica Section C","1996","52","10","2617","2619","10.1107/S0108270196006282","","","1.5418","CuKα","","","0.034","","","0.029","","","","","0.957","0.957","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005820","12.383","0.003","12.383","0.003","7.188","0.002","90","","90","","90","","1102.2","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium perchlorate","Tetraphenylphosphonium perchlorate","","- C24 H20 Cl O4 P -","- C24 H20 Cl O4 P -","- C48 H40 Cl2 O8 P2 -","2","0.25","SK1044","Vittal, J. J.; Dean, P. A. W.","Tetraphenylphosphonium Perchlorate","Acta Crystallographica Section C","1996","52","12","3185","3188","10.1107/S0108270196010980","","","0.71073","MoKα","","0.1127","0.0491","","0.1236","0.0944","","","","1.046","1.087","1.087","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006033","12.995","0.001","12.995","","7.143","0.001","90","","90","","90","","1206.24","0.19","170","","170","","","","","","","","","5","I -4","I -4","82","","","","- C24 H21 P S4 W -","- C24 H24 P S4 W -","- C48 H48 P2 S8 W2 -","2","0.25","BK1296","Parvez, M.; Boorman, P. M.; Wang, M.","Tetraphenylphosphonium (Hydrogensulfido-<i>S</i>)trisulfidotungstate(VI)","Acta Crystallographica Section C","1997","53","4","413","414","10.1107/S0108270196015405","","","0.71069","MoKα","","","0.024","","","0.023","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006250","25.977","0.003","25.978","0.007","9.437","0.004","90","","90","","90","","6368","3","293","","293","2","","","","","","","","4","I -4","I -4","82","","[2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yl- oxy)silane","","- C33 H48 O Si2 -","- C33 H48 O Si2 -","- C264 H384 O8 Si16 -","8","1","QB0006","Leigh, William J.; Kroll, Elizabeth C.; Toltl, Nicholas P.; Britten, James F.","[2-(<i>tert</i>-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-<i>tert</i>-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane","Acta Crystallographica Section C","1997","53","6","IUC9700006","","10.1107/S0108270197099496","","","1.54178","CopperKα","","0.1514","0.0797","","0.2631","0.19","","","","1.009","0.983","0.983","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007330","18.871","0.007","18.871","","16.249","0.011","90","","90","","90","","5787","4","210","2","210","2","","","","","","","","4","I -4","I -4","82","","","","- C29.25 H40.25 Br2 Cl0.75 -","- C29.25 H40.25 Br2 Cl0.75 -","- C234 H322 Br16 Cl6 -","8","1","FG1412","Mario Leclerc; Maxime Ranger; Francine Bélanger-Gariépy","2,7-Dibromo-9,9-dioctylfluorene‒Chloroform (1/0.25)","Acta Crystallographica Section C","1998","54","6","799","801","10.1107/S0108270197020015","","","1.54178","CuKα","","0.052","0.044","","0.113","","0.106","","","1.003","","","1.042","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007563","12.9452","0.0015","12.9452","0.0015","7.0747","0.0015","90","","90","","90","","1185.6","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium tetrachloroaluminate","","","- C24 H20 Al Cl4 P -","- C24 H20 Al Cl4 P -","- C48 H40 Al2 Cl8 P2 -","2","0.25","QB0056","Neil Burford; Daren J. LeBlanc; Alan J. Lough","Tetraphenylphosphonium Tetrachloroaluminate","Acta Crystallographica Section C","1998","54","8","IUC9800040","","10.1107/S0108270198099454","","","0.71073","MoKα","","0.0727","0.0467","","","","0.0999","","","","","","0.993","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008857","11.0912","0.0004","11.0912","0.0004","4.4414","0.0004","90","","90","","90","","546.36","0.06","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Zinc Mercury Thiocyanate","","- C4 Hg N4 S4 Zn -","- C4 Hg N4 S4 Zn -","- C8 Hg2 N8 S8 Zn2 -","2","0.25","TA1243","Xu, Dong; Yu, Wen-Tao; Wang, Xin-Qiang; Yuan, Duo-Rong; Lu, Meng-Kai; Yang, Ping; Guo, Shi-Yi; Meng, Fan-Qing; Jiang, Min-Hua","Zinc mercury thiocyanate (ZMTC)","Acta Crystallographica Section C","1999","55","8","1203","1205","10.1107/S0108270199005983","","","0.71073","MoKα","","0.034","0.033","","","","0.095","","","","","","1.115","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008877","11.135","0.002","11.135","0.002","4.376","0.001","90","","90","","90","","542.57","0.19","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C4 Cd N4 S4 Zn -","- C4 Cd N4 S4 Zn -","- C8 Cd2 N8 S8 Zn2 -","2","0.25","CF1297","Tian, Yu-Peng; Yu, Wen-Tao; Fang, Qi; Wang, Xin-Qiang; Yuan, Duo-Rong; Xu, Dong; Jiang, Min-Hua","Zinc cadmium thiocyanate (ZCTC)","Acta Crystallographica Section C","1999","55","9","1393","1395","10.1107/S0108270199007623","","","0.71073","MoKα","","0.029","0.028","","0.094","0.093","","","","1.264","1.275","1.275","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009696","22.461","0.001","22.461","0.001","6.191","0.001","90","","90","","90","","3123.3","0.5","148","","","","","","","","","","","4","I -4","I -4","","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C152 H152 Br8 O16 -","8","1","HH1063","Lloyd, B.A.; Arif, A.M.; Coots, R.J.; Allred, E.L.","Structural investigations of a tetracyclic <i>endo</i>-norborenyl derivative","Acta Crystallographica Section C","1994","50","5","777","781","10.1107/S0108270193012685","","","1.5418","CuKα","","","0.0256","","","0.0262","","","","","1.625","1.625","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010033","12.25","0.003","12.25","0.003","7.309","0.002","90","","90","","90","","1096.8","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Tetraphenyl Phosphonium Aquatrioxo Chromate(V) .","","- C24 H22 Cr O4 P -","- C24 H20 Cr O4 P -","- C48 H40 Cr2 O8 P2 -","2","0.25","HE1008","Alok K. Mukherjee; Anuradha Mukhopadhaya; Monika Mukherjee; Siddhartha Ray","Two mononuclear tetraphenylphosphonium oxochromium complexes: (PPh~4~)[Cr^V^O~3~(H~2~O)] and (PPh~4~)[Cr^VI^O~3~(OH)]","Acta Crystallographica Section C","1994","50","9","1401","1404","10.1107/S0108270194003148","","","1.5418","CuKα","","0.0836","0.0765","","0.2259","0.1841","","","","1.239","1.239","1.239","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010034","12.306","0.003","12.306","0.003","7.336","0.002","90","","90","","90","","1110.9","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Tetraphenyl Phosphonium Hydroxotrioxo Chromate(VI) .","","- C24 H21 Cr O4 P -","- C24 H20 Cr O4 P -","- C48 H40 Cr2 O8 P2 -","2","0.25","HE1008","Alok K. Mukherjee; Anuradha Mukhopadhaya; Monika Mukherjee; Siddhartha Ray","Two mononuclear tetraphenylphosphonium oxochromium complexes: (PPh~4~)[Cr^V^O~3~(H~2~O)] and (PPh~4~)[Cr^VI^O~3~(OH)]","Acta Crystallographica Section C","1994","50","9","1401","1404","10.1107/S0108270194003148","","","0.71073","MoKα","","0.0965","0.0732","","0.2629","0.181","","","","1.162","1.192","1.192","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011238","13.1846","0.0006","13.1846","0.0006","8.8493","0.0006","90","","90","","90","","1538.31","0.14","193","2","193","2","","","","","","","","6","I -4","I -4","82","","Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate","","- C25 H20 Cl4 O8 S4 Si -","- C25 H20 Cl4 O8 S4 Si -","- C50 H40 Cl8 O16 S8 Si2 -","2","0.25","OA1098","Han, Bong-Hwan; Choi, Moon-Gun","Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate","Acta Crystallographica Section C","2000","56","8","1001","1003","10.1107/S0108270100006740","","","0.71073","MoKα","","0.03","0.028","","","","0.074","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011580","17.0481","0.0004","17.0481","0.0004","13.7568","0.0003","90","","90","","90","","3998.24","0.16","123","2","123","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium perchlorate","Tetraphenylphosphonium perchlorate","","- C24 H20 Cl O4 P -","- C24 H20 Cl O4 P -","- C192 H160 Cl8 O32 P8 -","8","1","TA1294","Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S.","Phase change in tetraphenylphosphonium perchlorate","Acta Crystallographica Section C","2000","56","11","1394","1395","10.1107/S0108270100011562","","","0.71073","MoKα","","0.0495","0.0381","","","","0.1037","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011772","17.4297","0.0008","17.4297","0.0008","4.1754","0.0003","90","","90","","90","","1268.46","0.12","293","2","293","2","","","","","","","","6","I -4","I -4","82","","Tetrathioureamercury(II) tetrathiocyanatomanganate(II)","","- C8 H16 Hg Mn N12 S8 -","- C8 H16 Hg Mn N12 S8 -","- C16 H32 Hg2 Mn2 N24 S16 -","2","0.25","SK1404","Yu, Wen Tao; Wang, Xin Qiang; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","Tetrathioureamercury(II) tetrathiocyanatomanganate(II)","Acta Crystallographica Section C","2001","57","2","145","146","10.1107/S0108270100015651","","","0.71073","MoKα","","0.035","0.033","","","","0.08","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012122","17.123","0.008","17.123","0.008","12.255","0.006","90","","90","","90","","3593","3","20","2","20","2","","","","","","","","5","I -4","I -4","82","Dodecanuclear mixed-1valence manganese carboxylate","tetraaquahexadecaacetatododecaoxododecamanganese bis(acetic acid) tetrahydrate","","- C36 H18 D54 Mn12 O56 -","- C36 H18 D54 Mn12 O56 -","- C72 H36 D108 Mn24 O112 -","2","0.25","BR1327","Langan, Paul; Robinson, Robert, A.; Brown, P. Jane; Argyriou, Dimitri, N.; Hendrickson, David, N.; Christou, George","A low-temperature neutron diffraction study of Mn~12~-acetate","Acta Crystallographica Section C","2001","57","8","909","910","10.1107/S0108270101008599","","neutron","0.8405","neutron","","0.095","0.089","","","","0.209","","","","","","1.57","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012695","22.4188","0.0001","22.4188","0.0001","11.9764","0.0001","90","","90","","90","","6019.37","0.06","279","2","279","2","","","","","","","","6","I -4","I -4","82","","Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I)","","- C26 H21 Mn O11 S3 Sn -","- C26 H21 Mn O11 S3 Sn -","- C208 H168 Mn8 O88 S24 Sn8 -","8","1","FG1638","Christendat, Dharamdat; Wharf, Ivor; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.","Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I): an unexpected tetragonal structure","Acta Crystallographica Section C","2002","58","5","m297","m299","10.1107/S0108270102004377","","","1.54178","CuKα","","0.035","0.033","","","0.081","0.082","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012808","17.1668","0.0003","17.1668","0.0003","12.2545","0.0003","90","","90","","90","","3611.39","0.13","83","2","83","2","","","","","","","","4","I -4","I -4","82","Mn12-acetate","hexadeca-μ-acetato-tetraaquadodeca-μ~3~-oxo-dodecamanganese acetic acid disolvate tetrahydrate","","- C36 H72 Mn12 O56 -","- C36 H72 Mn12 O56 -","- C72 H144 Mn24 O112 -","2","0.25","GD1192","Cornia, Andrea; Fabretti, Antonio Costantino; Sessoli, Roberta; Sorace, Lorenzo; Gatteschi, Dante; Barra, Anne-Laure; Daiguebonne, Carole; Roisnel, Thierry","Disorder effects in Mn~12~‒acetate at 83K","Acta Crystallographica Section C","2002","58","7","m371","m373","10.1107/S0108270102009010","","","0.71073","MoKα","","0.033","0.03","","","0.071","0.073","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013040","20.5349","0.001","20.5349","0.001","9.3356","0.0005","90","","90","","90","","3936.7","0.3","100","2","100","2","","","","","","","","3","I -4","I -4","82","","2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4H-benzo-1,3-dioxin)","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","1","LN1148","Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre","(±)-6-<i>tert</i>-Butyl-8-hydroxymethyl-2-phenyl-4<i>H</i>-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4<i>H</i>-1,3-benzodioxin)","Acta Crystallographica Section C","2002","58","11","o649","o651","10.1107/S0108270102017481","","","0.71073","MoKα","","0.063","0.044","","","0.089","0.097","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013340","13.276","0.001","13.276","0.001","18.959","0.001","90","","90","","90","","3341.6","0.4","293","2","293","2","","","","","","","","7","I -4","I -4","82","","Octaguanidinium α-silicodiplatinodecatungstate hexahydrate","","- C8 H60 N24 O46 Pt2 Si W10 -","- C8 H48 N24 O46 Pt2.04 Si W9.96 -","- C16 H96 N48 O92 Pt4.08 Si2 W19.92 -","2","0.25","OB1100","Lee, Uk; Joo, Hea-Chung; Park, Ki-Min; Ozeki, Tomoji","Synchrotron structure determination of an α-Keggin doubly Pt^IV^-substituted silicotungstate, (CH~6~N~3~)~8~[α-SiPt~2~W~10~O~40~]·6H~2~O","Acta Crystallographica Section C","2003","59","4","m152","m155","10.1107/S0108270103004517","","","0.3282","synchrotron","","0.0294","0.0293","","","0.0679","0.0679","","","","","","1.259","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013598","12.174","0.002","12.174","0.002","6.885","0.002","90","","90","","90","","1020.4","0.4","294","","","","","","","","","","","4","I -4","I -4","82","","tetraphenylarsonium iodide","","- C24 H20 As I -","- C24 H20 As I -","- C48 H40 As2 I2 -","2","0.25","GA1032","Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.","Tetraphenylarsonium iodide, a new determination","Acta Crystallographica Section C","2003","59","11","m484","m486","10.1107/S0108270103022650","","","0.71073","MoKα","","","0.022","","","","0.03","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014789","22.0496","0.0019","22.0496","0.0019","8.8155","0.0015","90","","90","","90","","4286","0.9","98","2","98","2","","","","","","","","5","I -4","I -4","82","","Poly[disodium(I)-di-μ~2~-methanolato-di-μ~2~-tetramethoxyborato]","","- C10 H32 B2 Na2 O10 -","- C10 H32 B2 Na2 O10 -","- C80 H256 B16 Na16 O80 -","8","1","FA1119","Gainsford, Graeme J.; Kemmitt, Tim","Poly[di-μ~2~-methanolato-di-μ~2~-tetramethoxyborato-disodium(I)]","Acta Crystallographica Section C","2005","61","4","m206","m208","10.1107/S0108270105005524","","","0.71073","MoKα","","0.0345","0.0266","","","0.0629","0.0659","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018107","5.442","0.001","5.442","0.001","12.1177","0.0014","90","","90","","90","","358.87","0.1","294","2","294","2","","","","","","","","3","I -4","I -4","82","Wulfenite","lead(II) molybdate(VI)","","- Mo4.24 O16 Pb3.76 -","- Mo1.0595 O4 Pb0.9405 -","- Mo4.238 O16 Pb3.762 -","4","0.5","KU3043","Cora, Ildikó; Czugler, Mátyás; Dódony, István; Rečnik, Aleksander","On the symmetry of wulfenite (Pb[MoO~4~]) from Mežica (Slovenia)","Acta Crystallographica Section C","2011","67","6","i33","i35","10.1107/S0108270111015769","","","0.7107","MoKα","","0.0249","0.0246","","","0.0607","0.0613","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018768","27.838","0.004","27.838","0.004","11.779","0.002","90","","90","","90","","9128","2","293","2","293","2","","","","","","","","6","I -4","I -4","82","","Tetrakis[μ-2-(quinolin-8-yloxy)acetato]tetrakis[μ-2-(quinolin-8- yloxy)acetonitrile]tetracadmium tetrakis(perchlorate) dihydrate","","- C88 H68 Cd4 Cl4 N12 O34 -","- C88 H68 Cd4 Cl4 N12 O34 -","- C352 H272 Cd16 Cl16 N48 O136 -","4","0.5","WQ3022","Liu, Ming-Liang; Ye, Qiong","A tetranuclear cadmium(II) complex based on the 2-(quinolin-8-yloxy)acetonitrile ligand","Acta Crystallographica Section C","2013","69","1","17","20","10.1107/S0108270112049360","","","0.71073","MoKα","","0.0686","0.0477","","","0.0944","0.1027","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019392","15.119","0.003","15.119","0.003","10.368","0.004","90","","90","","90","","2370","1.1","291","2","291","2","","","","","","","","5","I -4","I -4","82","","Poly[tetrachlorido{μ~4~-tetrakis[(imidazol-1-yl)methyl]methane-κ^4^<i>N</i>^3^:<i>N</i>^3'^:<i>N</i>^3''^:<i>N</i>^3'''^}dizinc(II)]","","- C17 H20 Cl4 N8 Zn2 -","- C17 H20 Cl4 N8 Zn2 -","- C68 H80 Cl16 N32 Zn8 -","4","0.5","WQ3052","Su, Jian; Yao, Liu-Di; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng","Poly[tetrachlorido{μ~4~-tetrakis[(imidazol-1-yl)methyl]methane-κ^4^<i>N</i>^3^:<i>N</i>^3'^:<i>N</i>^3''^:<i>N</i>^3'''^}dizinc(II)] exhibiting a three-dimensional diamond topology","Acta Crystallographica Section C","2014","70","2","194","197","10.1107/S2053229614000047","","","0.71073","MoKα","","0.0437","0.0339","","","0.0436","0.0448","","","","","","0.943","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020793","21.6747","0.0006","21.6747","0.0006","7.285","0.0003","90","","90","","90","","3422.44","0.19","100","0.2","100","0.2","","","","","","","","6","I -4","I -4","82","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium saccharinate","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium 1,1-dioxo-1λ^6^,2-benzothiazol-3-olate","","- C16 H13 F5 N2 O4 S -","- C16 H13 F5 N2 O4 S -","- C128 H104 F40 N16 O32 S8 -","8","1","","Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang","Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009512","","","0.71073","MoKα","","0.0255","0.0239","","","0.0577","0.0633","","","","","","1.088","","","","has coordinates,has Fobs","199083","2020-10-21","18:00:00",""
"2021038","28.596","0.002","28.596","0.002","13.5438","0.0009","90","","90","","90","","11075.2","1.3","294","2","294","2","","","","","","","","6","I -4","I -4","82","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate","","- C38 H26 N10 Ni O4 S -","- C38 H26 N10 Ni O4 S -","- C304 H208 N80 Ni8 O32 S8 -","8","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.2018","0.0777","","","0.1648","0.22","","","","","","0.894","","","","has coordinates,has Fobs","206644","2020-10-21","18:00:00",""
"2021742","18.1367","0.0012","18.1367","0.0012","8.7103","0.0009","90","","90","","90","","2865.2","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","<i>catena</i>-Poly[zinc(II)-bis[μ~2~-5-(methylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-ido-κ^2^<i>N</i>^3^:<i>S</i>]]","","- C6 H6 N4 S6 Zn -","- C6 H6 N4 S6 Zn -","- C48 H48 N32 S48 Zn8 -","8","1","JX3043","Zhang, Jun; Ma, Xiaofan; Kong, Weili; Xie, Fazhi; Yuan, Shizhen; Song, Xiaojie; Lu, Zhansheng; Xuan, Xiaopeng","A sulfur coordination polymer with wide bandgap semiconductivity formed from zinc(II) and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010945","","","0.71073","MoKα","","0.0399","0.0302","","","0.0597","0.0638","","","","","","1.043","","","","has coordinates,has Fobs","217478","2020-10-21","18:00:00",""
"2022073","6.0867","0.0001","6.0867","0.0001","8.4958","0.0004","90","","90","","90","","314.752","0.017","15","1","15","1","","","","","","","","3","I -4","I -4","82","","","","- C1.25 H3 O -","- C1.25 H3 O -","- C10 H24 O8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0106","0.0106","","","0.0286","0.0286","","","","","","1.5258","","","","has coordinates","250652","2020-10-21","18:00:00",""
"2100073","19.86","","19.86","","4.953","","90","","90","","90","","1953.56","","","","","","","","","","","","","3","I -4","","","","","","- C46 H46 O8 -","- C52 H40 O8 -","- C104 H80 O16 -","2","0.25","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100483","6.0867","0.0001","6.0867","0.0001","8.4958","0.0004","90","","90","","90","","314.752","0.017","15","1","","","","","","","","","","3","I -4","I -4","82","","","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","LB5001","Elizabeth A.Zhurova; Vladimir G. Tsirelson; Vladimir V. Zhurov; Adam I. Stash; A. Alan Pinkerton","Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study","Acta Crystallographica Section B","2006","62","3","513","520","10.1107/S0108768106008329","","","0.71073","MoKα","","","0.0118","","","","0.0116","","","","","","1.508","","","","has coordinates,has Fobs","192320","2020-10-21","18:00:00",""
"2100762","14.146","0.006","14.146","0.006","11.91","0.008","90","","90","","90","","2383","2","","","","","","","","","","","","4","I -4","","","","","","- C11 H19 Br O -","- C11 H19 Br O -","- C88 H152 Br8 O8 -","8","1","AL0506","Fallon, G. D.; Gatehouse, B. M.; Middleton, S.; Vanni, S. P.","Structure of the bromohydrin of an octahydronaphthalene derivative","Acta Crystallographica Section B","1992","48","2","227","230","10.1107/S0108768191013812","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101361","6.0173","0.001","6.0173","0.001","8.267","0.003","90","","90","","90","","299.33","0.13","","","","","","","","","","","","3","I -4","I -4","","","","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","HR0019","Katrusiak, A.","High-pressure X-ray diffraction study of pentaerythritol","Acta Crystallographica Section B","1995","51","5","873","879","10.1107/S010876819500098X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101914","15.796","0.001","15.796","0.001","14.198","0.001","90","","90","","90","","3542.6","0.4","296","1","296","1","","","","","","","","4","I -4","I -4","82","","tetraphenylphosphonium tetraphenylborate","","- C48 H40 B P -","- C48 H40 B P -","- C192 H160 B4 P4 -","4","0.5","CR0521","Lloyd, M. A.; Brock, C. P.","[<i>M</i>Ph~4~][BPh~4~], <i>M</i> = P, As and Sb","Acta Crystallographica Section B","1997","53","5","773","779","10.1107/S0108768197005077","","","0.71073","MoKα","","0.0874","0.05","","0.172","0.1567","","","","1.21","1.214","1.214","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101915","15.936","0.004","15.936","0.004","14.062","0.002","90","","90","","90","","3571.1","1.4","296","1","296","1","","","","","","","","4","I -4","I -4","82","","tetraphenylarsonium tetraphenylborate","","- C48 H40 As B -","- C48 H40 As B -","- C192 H160 As4 B4 -","4","0.5","CR0521","Lloyd, M. A.; Brock, C. P.","[<i>M</i>Ph~4~][BPh~4~], <i>M</i> = P, As and Sb","Acta Crystallographica Section B","1997","53","5","773","779","10.1107/S0108768197005077","","","0.71073","MoKα","","0.0634","0.039","","0.112","0.1034","","","","1.12","1.16","1.16","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101916","16.272","0.003","16.272","0.003","13.703","0.003","90","","90","","90","","3628.3","1.2","295","1","295","1","","","","","","","","4","I -4","I -4","82","","tetraphenylstibonium tetraphenylborate","","- C48 H40 B Sb -","- C48 H40 B Sb -","- C192 H160 B4 Sb4 -","4","0.5","CR0521","Lloyd, M. A.; Brock, C. P.","[<i>M</i>Ph~4~][BPh~4~], <i>M</i> = P, As and Sb","Acta Crystallographica Section B","1997","53","5","773","779","10.1107/S0108768197005077","","","0.71073","MoKα","","0.0361","0.028","","0.082","0.0774","","","","1.17","1.195","1.195","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102094","13.799","0.002","13.799","0.002","10.876","0.002","90","","90","","90","","2070.9","0.6","168","2","168","2","","","","","","","","3","I -4","I -4","82","2-Methylpyrazine","pyrazine, 2-methyl","","- C5 H6 N2 -","- C5 H6 N2 -","- C80 H96 N32 -","16","2","CF0007","Boese, Roland; Gehrke, Annette; Kapon, Moshe; Herbstein, Frank H.","Determining the crystal structure of twinned 2-methylpyrazine","Acta Crystallographica Section B","2000","56","4","677","681","10.1107/S0108768199016547","","","0.71073","MoKα","","0.0226","0.0213","","","","0.0501","","","","","","1.057","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102095","13.725","0.002","13.725","0.002","10.859","0.002","90","","90","","90","","2045.6","0.6","123","2","123","2","","","","","","","","3","I -4","I -4","82","2-Methylpyrazine","pyrazine, 2-methyl","","- C5 H6 N2 -","- C5 H6 N2 -","- C80 H96 N32 -","16","2","CF0007","Boese, Roland; Gehrke, Annette; Kapon, Moshe; Herbstein, Frank H.","Determining the crystal structure of twinned 2-methylpyrazine","Acta Crystallographica Section B","2000","56","4","677","681","10.1107/S0108768199016547","","","0.71073","MoKα","","0.027","0.0257","","","","0.0679","","","","","","1.082","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102675","10.2343","0.0005","10.2343","0.0005","10.8245","0.0007","90","","90","","90","","1133.77","0.11","110","2","110","2","","","","","","","","5","I -4","I -4","82","Lithium tetrakis-ethylenecarbonate bis(oxalato)borate","Lithium tetrakis-ethylenecarbonate bis(oxalato)borate","","- C16 H16 B Li O20 -","- C16 H16 B Li O20 -","- C32 H32 B2 Li2 O40 -","2","0.25","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0241","0.0239","","","0.0498","0.0499","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105338","5.1064","","5.1064","","11.9091","","90","","90","","90","","310.534","","","","","","","","","","","","","4","I -4","I -4","82","","Ag Bi (Cr O4)2","","- Ag Bi Cr2 O8 -","- Ag Bi Cr2 O8 -","- Ag2 Bi2 Cr4 O16 -","2","0.25","","Riou, A.; Roult, G.","Etude par diffraction neutronique en tempy de vol de la structure cristalline","Acta Crystallographica B (24,1968-38,1982)","1979","35","","2494","2499","10.1107/S0567740879009754","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106408","15.966","","15.966","","10.099","","90","","90","","90","","2574.37","","","","","","","","","","","","","3","I -4","I -4","82","","Rb22 W32 O107","","- O107 Rb22 W32 -","- O107 Rb22 W32 -","- O107 Rb22 W32 -","1","0.125","","Okada, K.; Marumo, F.; Iwai, S.I.","The crystal structure of Rb22 W32 O107","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3345","3349","","","","","","","","","","","","","","","","","","","","","","has coordinates","149688","2020-10-21","18:00:00",""
"2106498","5.623","","5.623","","9.058","","90","","90","","90","","286.397","","","","","","","","","","","","","3","I -4","I -4","82","","","","- In P S4 -","- In P S4 -","- In2 P2 S8 -","2","0.25","","Diehl, R.; Carpentier, C.D.","The structural chemistry of indium phosphorous chalkogenides","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1097","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2201345","24.758","0.004","24.758","0.004","4.6952","0.0009","90","","90","","90","","2878","0.9","150","2","150","2","","","","","","","","4","I -4","I -4","82","","2-phenylpyrrolo[2,3-h]quinoline dihydrate","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","CF6202","Daniel E. Lynch; Ian McClenaghan","2-Phenylpyrrolo[2,3-<i>h</i>]quinoline dihydrate","Acta Crystallographica Section E","2002","58","10","o1150","o1151","10.1107/S160053680201735X","","","0.71073","MoKα","","0.0955","0.0476","","","0.0811","0.0927","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201973","12.2242","0.0003","12.2242","0.0003","8.4655","0.0003","90","","90","","90","","1265.01","0.06","220","2","220","2","","","","","","","","3","I -4","I -4","82","Pentaerythritol tetraphenyl ether","1,3-diphenoxy-2,2-bis(phenoxymethyl)propane","","- C29 H28 O4 -","- C29 H28 O4 -","- C58 H56 O8 -","2","0.25","DN6071","Laliberté, Dominic; Maris, Thierry; Wuest, James D.","1,3-Diphenoxy-2,2-bis(phenoxymethyl)propane","Acta Crystallographica Section E","2003","59","6","o799","o801","10.1107/S160053680300998X","","","1.54178","CuKα","","0.0513","0.0501","","","0.1396","0.1411","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203984","23.048","0.007","23.048","","5.663","0.003","90","","90","","90","","3008","2","295","2","295","2","","","","","","","","4","I -4","I -4","82","","4,5-Diphenyl-1H-imidazole-1-acetic acid","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","1","BT6492","Gao, Shan; Zhao, Hui; Huo, Li-Hua; Gao, Jin-Shan; Zain, Sharifuddin M.; Ng, Seik Weng","4,5-Diphenyl-1H-imidazole-1-acetic acid","Acta Crystallographica, Section E","2004","60","8","o1390","o1392","10.1107/S1600536804017696","","","0.71073","MoKα","","0.083","0.075","","","0.238","0.244","","","","","","1.25","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204007","11.4847","0.0003","11.4847","0.0003","12.8612","0.0004","90","","90","","90","","1696.37","0.08","295","2","295","2","","","","","","","","6","I -4","I -4","82","","","","- C28 H32 Cl Cu N8 S4 -","- C28 H32 Cl Cu N8 S4 -","- C56 H64 Cl2 Cu2 N16 S8 -","2","0.25","CV6337","Yu Liu; Duan-Jun Xu","Tetrakis(phenylthiourea-κ<i>S</i>)copper(I) chloride","Acta Crystallographica Section E","2004","60","8","m1057","m1059","10.1107/S160053680401582X","","","0.71069","MoKα","","0.028","0.026","","","0.065","0.065","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204855","13.532","0.002","13.532","0.002","6.746","0.002","90","","90","","90","","1235.3","0.4","295","2","295","2","","","","","","","","3","I -4","I -4","82","","Tetrakis(phenylethynyl)germanium(IV)","","- C32 H20 Ge -","- C32 H20 Ge -","- C64 H40 Ge2 -","2","0.25","CI6492","Churakov, Andrei V.; Karlov, Sergey S.; Yakubova, Elmira Kh.; Selina, Anastasia A.; Zaitseva, Galina S.","Tetrakis(phenylethynyl)germanium(IV)","Acta Crystallographica Section E","2005","61","1","m52","m54","10.1107/S1600536804031241","","","0.71073","MoKα","","0.0309","0.0276","","","0.0642","0.0654","","","","","","1.149","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205173","5.6741","0.0017","5.6741","0.0017","11.249","0.005","90","","90","","90","","362.2","0.2","150","2","150","2","","","","","","","","3","I -4","I -4","82","","","","- Ge Hg2 Se4 -","- Ge Hg2 Se4 -","- Ge2 Hg4 Se8 -","2","0.25","WM6045","Yongkwan Dong; Sangrok Kim; Hoseop Yun","Reinvestigation of Hg~2~GeSe~4~ based on single-crystal data","Acta Crystallographica Section E","2005","61","2","i9","i11","10.1107/S1600536804034105","","","0.7107","MoKα","","","0.0556","","","","0.1449","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205732","25.035","0.002","25.035","0.002","11.929","0.002","90","","90","","90","","7476.5","1.5","293","2","293","2","","","","","","","","6","I -4","I -4","82","","1-N-methyl-spiro[2.3']oxindole-spiro[3.2""]5""-(4-chloro)phenyl -10""-(4-chloro)benzylidene-2"",3"",6"",7"",8"",9""-hexahydro-5H,10H- cyclohepteno[1,2-d]thiazolo[3,2-a]pyrimidin-3""-one-4-(2,4- dichloro)phenyl-pyrrolidine","","- C41 H32 Cl4 N4 O2 S -","- C41 H32 Cl4 N4 O2 S -","- C328 H256 Cl32 N32 O16 S8 -","8","1","HG6161","Hu, Xiao-Fen; Feng, Ya-Qing; Liu, Xin-Gang; Qiao, Kang-Jian","10''-(4-Chlorobenzylidene)-5''-(4-chlorophenyl)-4'-(2,4-dichlorophenyl)-1'-methyl-2,3,2'',3'',7'',8'',9'',10''-octahydro-1<i>H</i>,5''<i>H</i>,6''<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-cyclohepteno[1,2-<i>d</i>]thiazolo[3,2-<i>a</i>]pyrimidine-2,3''-dione","Acta Crystallographica Section E","2005","61","5","o1411","o1413","10.1107/S1600536805011621","","","0.71073","MoKα","","0.1156","0.0485","","","","0.1678","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2205771","14.748","0.005","14.748","","6.465","0.008","90","","90","","90","","1406.2","1.8","293","2","293","2","","","","","","","","4","I -4","I -4","82","","Tetrakis[4-(trifluoromethyl)phenyl]stannane","","- C28 H16 F12 Sn -","- C28 H16 F12 Sn -","- C56 H32 F24 Sn2 -","2","0.25","NG6134","Young, David J.; Manuaba, Putra; Healy, Peter C.; Tiekink, Edward R. T.","Tetrakis[4-(trifluoromethyl)phenyl]stannane","Acta Crystallographica Section E","2005","61","5","m956","m957","10.1107/S1600536805012213","","","0.71069","MoKα","","0.099","0.051","","","0.134","0.157","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206021","11.6495","0.0006","11.6495","0.0006","4.5128","0.0008","90","","90","","90","","612.44","0.12","291","2","291","2","","","","","","","","5","I -4","I -4","82","cadmium mercury selenocyanate","cadmium mercury selenocyanate","","- C4 Cd Hg N4 Se4 -","- C4 Cd Hg N4 Se4 -","- C8 Cd2 Hg2 N8 Se8 -","2","0.25","MG6034","Sun, Hai-Qing; Yu, Wen-Tao; Yuan, Duo-Rong; Wang, Xin-Qiang; Xue, Gang","Cadmium mercury selenocyanate, CdHg(SeCN)~4~","Acta Crystallographica Section E","2005","61","6","i111","i112","10.1107/S1600536805015771","","","0.71073","MoKα","","0.0522","0.047","","","0.1144","0.1187","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207152","9.559","0.002","9.559","0.002","14.808","0.006","90","","90","","90","","1353.1","0.7","293","2","293","2","","","","","","","","6","I -4","I -4","82","not relevant","Bis(trimethylammonium) decaselenidotetragermanatomanganate(II)","","- C6 H20 Ge4 Mn N2 Se10 -","- C6 H18 Ge4 Mn N2 Se10 -","- C12 H36 Ge8 Mn2 N4 Se20 -","2","0.25","BT6757","Tobias van Almsick; William S. Sheldrick","Bis(trimethylammonium) decaselenidotetragermanatomanganate(II)","Acta Crystallographica Section E","2005","61","11","m2348","m2350","10.1107/S1600536805032770","","","0.71073","MoKα","","0.0318","0.0269","","","0.0633","0.0657","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207988","18.7019","0.0005","18.7019","0.0005","16.2506","0.0008","90","","90","","90","","5683.8","0.4","193","2","193","2","","","","","","","","3","I -4","I -4","82","","2,7-dibromo-9,9-di-n-octyl-9H-fluorene","","- C29 H40 Br2 -","- C29 H40 Br2 -","- C232 H320 Br16 -","8","1","BV6048","McFarlane, Shaune; McDonald, Robert; Veinot, Jonathan G. C.","2,7-Dibromo-9,9-di-<i>n</i>-octyl-9<i>H</i>-fluorene","Acta Crystallographica Section E","2006","62","2","o859","o861","10.1107/S1600536806002881","","","0.71073","MoKα","","0.058","0.0448","","","0.1141","0.1233","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208295","11.281","0.003","11.281","0.003","4.6207","0.0012","90","","90","","90","","588","0.3","213","2","297","2","","","","","","","","5","I -4","I -4","82","Cobalt mercury tetraselenocyanate","Cobalt mercury tetraselenocyanate","","- C4 Co Hg N4 Se4 -","- C4 Co Hg N4 Se4 -","- C8 Co2 Hg2 N8 Se8 -","2","0.25","CI6759","Sheng-Li Li; Hoong-Kun Fun; Suchada Chantrapromma; Jie-Ying Wu; Yu-Peng Tian","Cobalt mercury tetraselenocyanate, CoHg(SeCN)~4~","Acta Crystallographica Section E","2006","62","3","i47","i49","10.1107/S1600536806004259","","","0.71073","MoKα","","0.0512","0.0415","","","0.1007","0.1031","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208502","11.331","0.0006","11.331","0.0006","4.6314","0.0008","90","","90","","90","","594.63","0.11","291","2","291","2","","","","","","","","5","I -4","I -4","82","zinc cadmium selenocyanate","poly[tetra-μ~2~-selenocyanato-cadmium(II)zinc(II)]","","- C4 Cd N4 Se4 Zn -","- C4 Cd N4 Se4 Zn -","- C8 Cd2 N8 Se8 Zn2 -","2","0.25","BR2002","Hai-Qing Sun; Wen-Tao Yu; Duo-Rong Yuan; Xin-Qiang Wang; Li-Qiang Liu","Zinc cadmium selenocyanate","Acta Crystallographica Section E","2006","62","4","i88","i90","10.1107/S1600536806008610","","","0.71073","MoKα","","0.0375","0.0326","","","0.0719","0.0747","","","","","","1.085","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208936","13.777","0.001","13.777","","22.995","0.002","90","","90","","90","","4364.6","0.5","291","2","291","2","","","","","","","","7","I -4","I -4","82","","Tetrakis(benzyldiphenylphosphine-κP)tetra-μ~2~-sulfido- dicopper(I)molybdenum(VI) tetrahydrate","","- C76 H76 Cu2 Mo O4 P4 S4 -","- C76 H76 Cu2 Mo O4 P4 S4 -","- C152 H152 Cu4 Mo2 O8 P8 S8 -","2","0.25","LH2030","Niu, Yun-Yin; Shui, You-Qin; Yang, Rui; Ng, Seik Weng","Tetrakis(benzyldiphenylphosphine-κ<i>P</i>)tetra-μ~2~-sulfido-dicopper(I)molybdenum(VI) tetrahydrate","Acta Crystallographica Section E","2006","62","5","m939","m941","10.1107/S1600536806011111","","","0.71073","MoKα","","0.0614","0.0463","","","0.1355","0.148","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","194389","2020-10-21","18:00:00",""
"2209332","20.559","0.006","20.559","0.006","10.053","0.007","90","","90","","90","","4249","3","173","2","173","2","","","","","","","","4","I -4","I -4","82","","catena-Poly[-tri-n-butyltin(IV)]-μ-cyclopent-2-enylacetato-κ^2^O:O']","","- C19 H36 O2 Sn -","- C19 H36 O2 Sn -","- C152 H288 O16 Sn8 -","8","1","TK2035","Ahmad, Aftab; Khan, Azim; Ali, Saqib; Parvez, Masood","<i>catena</i>-Poly[[tri-<i>n</i>-butyltin(IV)]-μ-cyclopent-2-enylacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","6","m1192","m1194","10.1107/S1600536806015194","","","0.71073","MoKα","","0.037","0.028","","","0.059","0.062","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210622","11.342","0.001","11.342","","8.92","0.001","90","","90","","90","","1147.48","0.16","293","2","295","2","","","","","","","","6","I -4","I -4","82","","poly[octaaquatetra-μ-oxalato-calciumdipotassiumzirconium(IV)]","","- C8 H16 Ca K2 O24 Zr -","- C8 H16 Ca K2 O24 Zr -","- C16 H32 Ca2 K4 O48 Zr2 -","2","0.25","HB2129","Yang, Jun-Ying; Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","Calcium dipotassium tetraoxalatozirconate(IV) octahydrate","Acta Crystallographica Section E","2006","62","10","m2424","m2426","10.1107/S1600536806034714","","","0.71073","MoKα","","0.042","0.037","","","0.078","0.081","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212298","11.4545","0.0004","11.4545","0.0004","4.5803","0.0004","90","","90","","90","","600.96","0.06","295","2","295","2","","","","","","","","5","I -4","I -4","82","Manganese mercury selenocyanate","Manganese mercury selenocyanate","","- C4 Hg Mn N4 Se4 -","- C4 Hg Mn N4 Se4 -","- C8 Hg2 Mn2 N8 Se8 -","2","0.25","MG2011","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Sun, Haiqing; Liu, Wei Liang","Manganese mercury selenocyanate, MnHg(SeCN)~4~","Acta Crystallographica, Section E","2007","63","2","i48","i49","10.1107/S1600536807001808","","","0.71073","MoKα","","0.0722","0.0521","","","0.1218","0.1337","","","","","","0.984","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2212949","13.077","0.009","13.077","0.009","20.44","0.02","90","","90","","90","","3495","5","290","2","290","2","","","","","","","","6","I -4","I -4","82","","Bis[N,N-diisobutyl-N'-(2-thienylcarbonyl)thioureato]copper(II)","","- C28 H42 N4 Ni O2 S4 -","- C28 H42 N4 Ni O2 S4 -","- C112 H168 N16 Ni4 O8 S16 -","4","0.5","LH2318","Ligia R. Gomes.; Luis M. N. B. F. Santos; Schröder, B.; Wagner, Ch.; Low, John N.","Bis[<i>N</i>,<i>N</i>-diisobutyl-<i>N</i>'-(2-thienylcarbonyl)thioureato]nickel(II)","Acta Crystallographica Section E","2007","63","4","m953","m955","10.1107/S1600536807009403","","","0.71073","MoKα","","0.0429","0.0382","","","0.0945","0.0992","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2212950","13.1693","0.0006","13.1693","0.0006","20.2499","0.0016","90","","90","","90","","3511.9","0.4","290","2","290","2","","","","","","","","6","I -4","I -4","82","","Bis[N,N-diisobutyl-N'-(2-thienylcarbonyl)thioureato]copper(II)","","- C28 H42 Cu N4 O2 S4 -","- C28 H42 Cu N4 O2 S4 -","- C112 H168 Cu4 N16 O8 S16 -","4","0.5","LH2319","Ligia R. Gomes.; Luis M. N. B. F. Santos; Schröder, B.; Wagner, Ch.; Low, John N.","Bis[<i>N</i>,<i>N</i>-diisobutyl-<i>N</i>'-(2-thienylcarbonyl)thioureato]copper(II)","Acta Crystallographica Section E","2007","63","4","m956","m958","10.1107/S1600536807009397","","","0.71073","MoKα","","0.0321","0.0287","","","0.0699","0.0725","","","","","","1.139","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2213937","12.6","0.002","12.6","0.002","7.0983","0.0014","90","","90","","90","","1126.9","0.3","295","2","295","2","","","","","","","","6","I -4","I -4","82","","Tetrapyridinecopper(I) hexafluoridophosphate(V)","","- C20 H20 Cu F6 N4 P -","- C20 H20 Cu F6 N4 P -","- C40 H40 Cu2 F12 N8 P2 -","2","0.25","RK2014","Gordan Horvat; Tomislav Portada; Vladimir Stilinović; Vladislav Tomišić","Tetrapyridinecopper(I) hexafluoridophosphate(V)","Acta Crystallographica Section E","2007","63","6","m1734","m1734","10.1107/S1600536807024051","","","0.71073","MoKα","","","0.0443","","","","0.1183","","","","","","1.094","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214082","12.0733","0.0008","12.0733","0.0008","14.9611","0.0015","90","","90","","90","","2180.8","0.3","133","2","133","2","","","","","","","","4","I -4","I -4","82","","tetra-μ~3~-chlorido-[tetrakis(η^5^-pentamethylcyclopentadienyl)ruthenium(II)]","","- C40 H60 Cl4 Ru4 -","- C40 H60 Cl4 Ru4 -","- C80 H120 Cl8 Ru8 -","2","0.25","BT2380","Jones, Peter G.; Hrib, Cristian G.; Beer, Stephan; Tamm, Matthias","A tetragonal polymorph of tetra-μ~3~-chlorido-tetrakis[(η^5^-pentamethylcyclopentadienyl)ruthenium(II)]","Acta Crystallographica Section E","2007","63","7","m1785","m1785","10.1107/S160053680702627X","","","0.71073","MoKα","","0.0289","0.0236","","","0.0477","0.0494","","","","","","1.068","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215802","13.689","0.001","13.689","0.001","20.098","0.001","90","","90","","90","","3766.1","0.4","173","2","173","2","","","","","","","","3","I -4","I -4","82","","Tetrakis(phenylethynyl)tin(IV)","","- C32 H20 Sn -","- C32 H20 Sn -","- C192 H120 Sn6 -","6","0.75","BT2532","Lahcini, Mohammed; Räisänen, Minna T.; Castro, Pascal M.; Klinga, Martti; Leskelä, Markku","Tetrakis(phenylethynyl)tin(IV)","Acta Crystallographica Section E","2007","63","11","m2762","m2762","10.1107/S1600536807050507","","","0.71073","MoKα","","0.1186","0.0487","","","0.0647","0.0775","","","","","","0.928","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219805","11.6286","0.0009","11.6286","","7.5918","0.0006","90","","90","","90","","1026.6","0.11","100","2","100","2","","","","","","","","4","I -4","I -4","82","","Tetrakis(4-methyl-2-thienyl)tin(IV)","","- C20 H20 S4 Sn -","- C20 H20 S4 Sn -","- C40 H40 S8 Sn2 -","2","0.25","CI2670","Yap, Quai Ling; Lo, Kong Mun; Ng, Seik Weng","Tetrakis(4-methyl-2-thienyl)tin(IV)","Acta Crystallographica Section E","2008","64","11","m1410","","10.1107/S1600536808032790","","","0.71073","MoKα","","0.0117","0.0117","","","0.0284","0.0284","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2221269","15.107","0.002","15.107","0.002","14.8587","0.0015","90","","90","","90","","3391.1","0.7","298","2","298","2","","","","","","","","5","I -4","I -4","82","","<i>catena</i>-Poly[[[diaquaterbium(III)]-μ-6-carboxynicotinato-μ- pyridine-2,5-dicarboxylato] dihydrate]","","- C14 H15 N2 O12 Tb -","- C14 H15 N2 O12 Tb -","- C112 H120 N16 O96 Tb8 -","8","1","BI2349","Li, Sheng; Zhang, Fu-Li; Wang, Shou-Bin; Bai, Hui-Ling","<i>catena</i>-Poly[[[diaquaterbium(III)]-μ-6-carboxynicotinato-μ-pyridine-2,5-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2009","65","4","m410","","10.1107/S1600536809008824","","","0.71073","MoKα","","0.054","0.0525","","","0.1288","0.131","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221590","13.3552","0.0017","13.3552","0.0017","5.7422","0.0006","90","","90","","90","","1024.2","0.2","112","2","112","2","","","","","","","","5","I -4","I -4","82","","<i>catena</i>-Poly[sodium(I)-μ-tetrabutoxyborato]","","- C16 H36 B Na O4 -","- C16 H36 B Na O4 -","- C32 H72 B2 Na2 O8 -","2","0.25","BQ2133","Gainsford, Graeme J.; Kemmitt, Tim","<i>catena</i>-Poly[sodium(I)-μ-tetrabutoxyborato]","Acta Crystallographica Section E","2009","65","5","m496","","10.1107/S1600536809012100","","","0.71073","MoKα","","0.0672","0.0494","","","0.1315","0.1452","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226240","23.604","0.003","23.604","0.003","13.8458","0.0018","90","","90","","90","","7714.2","1.7","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","Poly[[aquadi-μ~3~-malonato-hexaphenylditin(IV)] acetone solvate]","","- C42 H40 O6 Sn2 -","- C42 H40 O6 Sn2 -","- C336 H320 O48 Sn16 -","8","1","NG2776","Win, Yip Foo; Teoh, Siang Guan; Vikneswaran, M. R.; Goh, Jia Hao; Fun, Hoong-Kun","Poly[[aquadi-μ~3~-malonato-hexaphenylditin(IV)] acetone solvate]","Acta Crystallographica Section E","2010","66","6","m695","m696","10.1107/S1600536810018398","","","0.71073","MoKα","","0.06","0.0507","","","0.0993","0.1034","","","","","","1.168","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226545","25.2992","0.0005","25.2992","0.0005","7.3068","0.0002","90","","90","","90","","4676.71","0.18","193","2","193","2","","","","","","","","4","I -4","I -4","82","","1,8-Bis(4-chlorobenzoyl)-7-methoxynaphthalen-2-ol ethanol monosolvate","","- C27 H22 Cl2 O5 -","- C27 H22 Cl2 O5 -","- C216 H176 Cl16 O40 -","8","1","IS2562","Mitsui, Ryosuke; Nagasawa, Atsushi; Noguchi, Keiichi; Okamoto, Akiko; Yonezawa, Noriyuki","1,8-Bis(4-chlorobenzoyl)-7-methoxynaphthalen-2-ol ethanol monosolvate","Acta Crystallographica Section E","2010","66","7","o1790","","10.1107/S1600536810024074","","","1.54187","CuKα","","0.055","0.0497","","","0.1391","0.1462","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226559","22.931","0.002","22.931","0.001","5.946","0.002","90","","90","","90","","3126.6","1.1","293","2","293","2","","","","","","","","5","I -4","I -4","82","","4-(Cyanomethyl)anilinium 4-methylbenzenesulfonate monohydrate","","- C15 H18 N2 O4 S -","- C15 H18 N2 O4 S -","- C120 H144 N16 O32 S8 -","8","1","JJ2033","Lin, Jin Rui","4-(Cyanomethyl)anilinium 4-methylbenzenesulfonate monohydrate","Acta Crystallographica Section E","2010","66","7","o1557","","10.1107/S1600536810020180","","","0.71073","MoKα","","0.0822","0.0719","","","0.1884","0.1963","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228992","11.6411","0.0015","11.6411","0.0015","20.105","0.003","90","","90","","90","","2724.5","0.6","298","2","293","2","","","","","","","","5","I -4","I -4","82","","Bis(cyclohexylammonium) 2,2'-disulfanediyldibenzoate","","- C26 H36 N2 O4 S2 -","- C26 H36 N2 O4 S2 -","- C104 H144 N8 O16 S8 -","4","0.5","BX2336","Wei, Xinting; Li, Jing; Yin, Handong","Bis(cyclohexylammonium) 2,2'-disulfanediyldibenzoate","Acta Crystallographica Section E","2011","67","2","o319","","10.1107/S1600536810054012","","","0.71073","MoKα","","0.1027","0.0447","","","0.096","0.124","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2231883","13.8532","0.0012","13.8532","0.0012","14.507","0.003","90","","90","","90","","2784.1","0.7","294","2","293","2","","","","","","","","6","I -4","I -4","82","","Hexa-μ-chlorido-μ~4~-oxido-tetrakis({1-[(pyridin-2-yl)methyl]- 1<i>H</i>-benzimidazole-κ<i>N</i>^3^}copper(II))","","- C52 H44 Cl6 Cu4 N12 O -","- C52 H44 Cl6 Cu4 N12 O -","- C104 H88 Cl12 Cu8 N24 O2 -","2","0.25","HB6384","Li, Hui; Jiang, Hongshi; Sun, Hong","Hexa-μ-chlorido-μ~4~-oxido-tetrakis({1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}copper(II))","Acta Crystallographica Section E","2011","67","10","m1372","","10.1107/S1600536811035252","","","0.71073","MoKα","","0.0367","0.028","","","0.058","0.0623","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231898","13.2737","0.0001","13.2737","","19.5597","0.0005","90","","90","","90","","3446.25","0.09","100","2","100","2","","","","","","","","6","I -4","I -4","82","","Bis(3-benzoyl-1,1-di-<i>sec</i>-butylthioureato- κ^2^<i>O</i>,<i>S</i>)palladium(II)","","- C32 H46 N4 O2 Pd S2 -","- C32 H46 N4 O2 Pd S2 -","- C128 H184 N16 O8 Pd4 S8 -","4","0.5","HB6404","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","Bis(3-benzoyl-1,1-di-<i>sec</i>-butylthioureato-κ^2^<i>O</i>,<i>S</i>)palladium(II)","Acta Crystallographica Section E","2011","67","10","m1394","","10.1107/S1600536811036853","","","0.71073","MoKα","","0.0249","0.023","","","0.0561","0.058","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232153","10.463","0.0013","10.463","0.0013","15.276","0.002","90","","90","","90","","1672.3","0.4","173","2","173","2","","","","","","","","5","I -4","I -4","82","","hexa-μ~2~-bromido-μ~4~-oxido-tetrakis[(diethyl ether)magnesium]","","- C16 H40 Br6 Mg4 O5 -","- C16 H40 Br6 Mg4 O5 -","- C32 H80 Br12 Mg8 O10 -","2","0.25","BH2385","Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","The low-temperature structure of diethyl ether magnesium oxybromide","Acta Crystallographica Section E","2011","67","11","m1614","","10.1107/S1600536811043820","","","0.71073","MoKα","","0.0268","0.0263","","","0.0669","0.067","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237277","5.7757","0.0012","5.7757","0.0012","10.87","0.002","90","","90","","90","","362.61","0.13","293","2","293","2","","","","","","","Pirquitas, Jujuy Province, Argentina","7","I -4","I -4","82","Pirquitasite","Disilver zinc tin tetrasulfide","Pirquitasite","- Ag1.87 Cd0.03 Cu0.13 Fe0.36 S4 Sn Zn0.61 -","- Ag1.87 Cd0.03 Cu0.13 Fe0.36 S4 Sn Zn0.61 -","- Ag3.74 Cd0.06 Cu0.26 Fe0.72 S8 Sn2 Zn1.22 -","2","0.25","BR2219","Schumer, Benjamin N.; Downs, Robert T.; Domanik, Kenneth J.; Andrade, Marcelo B.; Origlieri, Marcus J.","Pirquitasite, Ag~2~ZnSnS~4~","Acta Crystallographica Section E","2013","69","2","i8","i9","10.1107/S1600536813001013","","","0.71073","MoKα","","0.0276","0.0269","","","0.0692","0.0701","","","","","","1.172","","","","has coordinates,has Fobs","287703","2023-11-21","13:37:05",""
"2238469","11.2716","0.0001","11.2716","0.0001","4.6981","0.0001","90","","90","","90","","596.889","0.015","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Zinc mercury(II) tetrakis(selenocyanate)","","- C4 Hg N4 Se4 Zn -","- C4 Hg N4 Se4 Zn -","- C8 Hg2 N8 Se8 Zn2 -","2","0.25","BR2230","Sun, Hai-Qing; Wang, Xin-Qiang; Zhang, Wei-Wei","Zinc mercury(II) tetrakis(selenocyanate)","Acta Crystallographica Section E","2013","69","9","i59","","10.1107/S1600536813022502","","","0.71073","MoKα","","0.03","0.026","","","0.0518","0.0527","","","","","","0.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239973","16.0462","0.0001","16.0462","0.0001","15.3337","0.0002","90","","90","","90","","3948.13","0.06","105","","105","","","","","","","","","5","I -4","I -4","82","","<i>cyclo</i>-Bis(μ~4~-2,2-diallylmalonato- κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^1'^,<i>O</i>^3'^:<i>O</i>^1'^)tetrakis(triphenylphosphane-κ<i>P</i>)tetrasilver(I)","","- C90 H80 Ag4 O8 P4 -","- C90 H80 Ag4 O8 P4 -","- C180 H160 Ag8 O16 P8 -","2","0.25","WM5047","Frenzel, Peter; Jakob, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Crystal structure of <i>cyclo</i>-bis(μ~4~-2,2-diallylmalonato-κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^1'^,<i>O</i>^3'^:<i>O</i>^1'^)tetrakis(triphenylphosphane-κ<i>P</i>)tetrasilver(I)","Acta Crystallographica Section E","2014","70","10","174","177","10.1107/S1600536814019394","","","0.71073","MoKα","","0.0237","0.0223","","","0.0471","0.0478","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240401","23.1302","0.0005","23.1302","0.0005","6.41","0.0002","90","","90","","90","","3429.39","0.15","150","","150","","","","","","","","","5","I -4","I -4","82","","3-(Adamantan-1-yl)-4-(4-chlorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C18 H20 Cl N3 S -","- C18 H20 Cl N3 S -","- C144 H160 Cl8 N24 S8 -","8","1","SJ5439","Al-Wabli, Reem I.; El-Emam, Ali A.; Alroqi, Obaid S.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Crystal structure of 3-(adamantan-1-yl)-4-(4-chlorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","2","o115","o116","10.1107/S2056989015000596","","","0.71073","MoKα","","0.0353","0.0304","","","0.0792","0.0818","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241063","25.3756","0.0009","25.3756","0.0009","9.6397","0.0006","90","","90","","90","","6207.2","0.5","173","2","173","2","","","","","","","","3","I -4","I -4","82","","<i>rac</i>-(3a<i>R</i>,4<i>S</i>,5a<i>R</i>,6<i>S</i>,9<i>R</i>,10a<i>S</i>,10b<i>R</i>)-3a,5a,9-Trimethyltetradecahydro-6,9-epoxycyclohepta[<i>e</i>]inden-4-ol monohydrate","","- C17 H30 O3 -","- C17 H30 O3 -","- C272 H480 O48 -","16","2","","Schäfer, Andreas; Golz, Christopher; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin","Crystal structure of <i>rac</i>-(3a<i>R</i>,4<i>S</i>,5a<i>R</i>,6<i>S</i>,9<i>R</i>,10a<i>S</i>,10b<i>R</i>)-3a,5a,9-trimethyltetradecahydro-6,9-epoxycyclohepta[<i>e</i>]inden-4-ol monohydrate","Acta Crystallographica Section E","2015","71","9","o690","o691","10.1107/S2056989015015698","","","0.71073","MoKα","","0.0884","0.0514","","","0.0958","0.109","","","","","","1.028","","","","has coordinates,has Fobs","153800","2020-10-21","18:00:00",""
"2242390","17.1509","0.0008","17.1509","0.0008","11.9033","0.0007","90","","90","","90","","3501.4","0.3","293","2","293","2","","","","","","","","4","I -4","I -4","82","6-Methoxy-9-methyl-12-(pyridin-3-yl)-8-oxa-10,11,13,15-tetraazatetracyclo\ [7.6.1.0^2,7^.0^10,14^]hexadeca-2(7),3,5,11,13-pentaene","7-Ethoxy-5-methyl-2-(pyridin-3-yl)-11,12-dihydro-5,11-methano-1,2,4]-triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","","- C19 H19 N5 O2 -","- C19 H19 N5 O2 -","- C152 H152 N40 O16 -","8","1","XU5917","Aydemir, Ercan; Kansiz, Sevgi; Gumus, Mustafa Kemal; Gorobets, Nikolay Yu.; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of 7-ethoxy-5-methyl-2-(pyridin-3-yl)-11,12-dihydro-5,11-methano[1,2,4]triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","Acta Crystallographica Section E","2018","74","3","367","370","10.1107/S2056989018002621","","","0.71073","MoKα","","0.0734","0.0419","","","0.0789","0.0879","","","","","","0.899","","","","has coordinates,has Fobs","206530","2020-10-21","18:00:00",""
"2310145","15.6","","15.6","","3.828","","90","","90","","90","","931.582","","","","","","","","","","","","","3","I -4","I -4","82","","Phosphorus Niobium Oxide (1/9/25)","","- Nb9 O25 P -","- Nb9 O25 P -","- Nb18 O50 P2 -","2","0.25","","Roth, R. S.; Wadsley, A. D.; Andersson, S.","The crystal structure of PNb~9~O~25~, (P~2~O~5~ . 9Nb~2~O~5~)","Acta Crystallographica","1965","18","4","643","647","10.1107/s0365110x65001500","","","","","","","","","","","","","","","","","","","","","has coordinates","200781","2020-10-21","18:00:00",""
"2310582","10.25","","10.25","","3.84","","90","","90","","90","","403.44","","","","","","","","","","","","","4","I -4","I -4","82","","N H4 Cu7 S4","","- Cu7 H4 N S4 -","- Cu7 N S4 -","- Cu14 N2 S8 -","2","0.25","","Gattow, G.","Die Kristallstruktur von N H4 Cu7 S4","Acta Crystallographica (1,1948-23,1967)","1957","10","","549","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311164","22.6986","0.0011","22.6986","0.0011","8.448","0.0005","90","","90","","90","","4352.6","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","5-Fluoro-3-phenyl-<i>N</i>'-(4-propylcyclohexylidene)-1<i>H</i>-indole-2-carbohydrazide","","- C24 H26 F N3 O -","- C24 H26 F N3 O -","- C192 H208 F8 N24 O8 -","8","1","HB7101","Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan","5-Fluoro-3-phenyl-N'-(4-propyl-cyclo-hexyl-idene)-1H-indole-2-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1202","","10.1107/S1600536813018333","","","0.71073","MoKα","","0.0681","0.0465","","","0.0853","0.0922","","","","","","1.032","","","","has coordinates","245636","2020-10-21","18:00:00",""
"2311545","8.9799","0.0004","8.9799","0.0004","32.555","0.003","90","","90","","90","","2625.2","0.3","100","2","100","2","","","","","","","","7","I -4","I -4","82","","Bis{μ~2~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylene)]bis(4-oxo-4<i>H</i>-pyran-3-olato)}dicobaltcalcium bis(perchlorate) 1.36-hydrate","","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C88 H120 Ca2 Cl4 Co4 N16 O42.72 -","2","0.25","XI2003","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Giorgi, Luca; Formica, Mauro; Fusi, Vieri","Crystal structure of bis-{μ<sub>2</sub>-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4<i>H</i>-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1959","1965","10.1107/S2056989017016693","","","0.71073","MoKα","","0.0888","0.0427","","","0.073","0.0814","","","","","","0.858","","","","has coordinates","245970","2020-10-21","18:00:00",""
"2311869","12.3857","0.0012","12.3857","0.0012","7.0065","0.001","90","","90","","90","","1074.8","0.2","123","2","123.09","","","","","","","","","6","I -4","I -4","82","Pyridine Lithium hexafluorophosphate solvate","Tetrakis(pyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C20 H20 F6 Li N4 P -","- C20 H20 F6 Li N4 P -","- C40 H40 F12 Li2 N8 P2 -","2","0.25","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.049","0.0488","","","0.1188","0.1193","","","","","","1.055","","","","has coordinates","246146","2020-10-21","18:00:00",""
"3500080","8.2048","0.0002","8.2048","0.0002","10.7389","0.0002","90","","90","","90","","722.93","0.03","150","","150","","","","","","","","","4","I -4","I -4","82","tetrapropylammonium bromide","","","- C12 H28 Br N -","- C12 H28 Br N -","- C24 H56 Br2 N2 -","2","0.25","","Thierry Maris","Tetrapropylammonium Bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0199","0.0199","","","0.0491","0.0491","","","","","","1.114","","","","has coordinates,has Fobs","245318","2020-10-21","18:00:00",""
"4001743","4.5016","","4.5016","","6.901","","90","","90","","90","","139.845","","","","","","","","","","","","","4","I -4","I -4","82","","Li B (Ge O4)","","- B Ge Li O4 -","- B Ge Li O4 -","- B2 Ge2 Li2 O8 -","2","0.25","","Parise, J.B.; Gier, T.E.","Hydrothermal syntheses and stuctural refinements of single crystal Li B Ge O4 and Li B Si O4","Chemistry of Materials (1,1989-)","1992","4","","1065","1067","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001745","4.3792","","4.3792","","6.7784","","90","","90","","90","","129.992","","","","","","","","","","","","","4","I -4","I -4","82","","Li B (Si O4)","","- B Li O4 Si -","- B Li O4 Si -","- B2 Li2 O8 Si2 -","2","0.25","","Parise, J.B.; Gier, T.E.","Hydrothermal Syntheses and Stuctural Refinements of Single Crystal LiBGeO4 and LiBSiO4","Chemistry of Materials (1,1989-)","1992","4","","1065","1067","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001785","13.73","0.0019","13.73","0.0019","11.9","0.002","90","","90","","90","","2243.3","0.6","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C16 H62 Li4 O16 Se4 Sn -","- C16 H64 Li4 O16 Se4 Sn -","- C32 H128 Li8 O32 Se8 Sn2 -","2","0.25","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0383","0.0347","","","0.0846","0.086","","","","","","1.003","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001945","8.1283","0.0001","8.1283","0.0001","23.4603","0.0007","90","","90","","90","","1550","0.05","293","2","293","2","","","","","","","","3","I -4","I -4","82","","","","- Ag I3 O8 -","- Ag I3 O8 -","- Ag8 I24 O64 -","8","1","","Xu, Xiang; Hu, Chun-Li; Li, Bing-Xuan; Yang, Bing-Ping; Mao, Jiang-Gao","α-AgI3O8and β-AgI3O8with Large SHG Responses: Polymerization of IO3Groups into the I3O8Polyiodate Anion","Chemistry of Materials","2014","26","10","3219","","10.1021/cm500898q","","","0.71073","MoKα","","0.0206","0.0199","","","0.0392","0.0398","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002675","7.4676","0.0012","7.4676","0.0012","39.564","0.01","90","","90","","90","","2206.3","0.7","360","2","360","2","","","","","","","","5","I -4","I -4","82","","","","- C3.38 H0.12 Cl Cu N0.25 -","- C3 H8 Cl0.9975 Cu0.25 N0.5 -","- C48 H128 Cl15.96 Cu4 N8 -","16","2","","Ferreira, Cauê F.; Pérez-Cordero, Eduardo E.; Abboud, Khalil A.; Talham, Daniel R.","Reversible Medium-Dependent Solid‒Solid Phase Transformations in Two-Dimensional Hybrid Perovskites","Chemistry of Materials","2016","28","15","5522","","10.1021/acs.chemmater.6b02208","","","0.71073","MoKα","","0.172","0.118","","","0.2876","0.3166","","","","","","2.18","","","","has coordinates,has disorder","186208","2020-10-21","18:00:00",""
"4021493","16.422","0.0003","16.422","0.0003","7.6968","0.0003","90","","90","","90","","2075.69","0.1","193","2","193","2","","","","","","","synthesis","4","I -4","I -4","82","(1S*,3S*)-3-Bromo-1,5,5-trimethylcyclohexanol","(1S*,3S*)-3-Bromo-1,5,5-trimethylcyclohexanol","","- C9 H17 Br O -","- C9 H17 Br O -","- C72 H136 Br8 O8 -","8","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0318","0.0278","","","0.071","0.0728","","","","","","1.038","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021494","16.4301","0.0004","16.4301","0.0004","8.272","0.0005","90","","90","","90","","2233.01","0.16","193","2","193","2","","","","","","","synthesis","4","I -4","I -4","82","(1R*,2S*,3R*)-3-Chloro-1,2,5,5-tetramethylcyclohexanol","(1R*,2S*,3R*)-3-Chloro-1,2,5,5-tetramethylcyclohexanol","","- C10 H19 Cl O -","- C10 H19 Cl O -","- C80 H152 Cl8 O8 -","8","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0337","0.0324","","","0.0852","0.0868","","","","","","1.087","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022741","16.5954","0.0015","16.5954","0.0015","8.2166","0.0011","90","","90","","90","","2262.9","0.4","298","2","298","2","","","","","","","","4","I -4","I -4","82","","","","- C11.25 H16.25 Cl0.75 O -","- C11.25 H16 Cl0.75 O -","- C90 H128 Cl6 O8 -","8","1","","Daniele Casarini; Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Conformation and Stereodynamics of Symmetrically Ortho-Disubstituted Aryl Carbinols and Aryl Ethers","Journal of Organic Chemistry","2007","72","","998","1004","10.1021/jo062289u","","","0.71073","MoKα","","0.0502","0.0449","","","0.1213","0.127","","","","","","1.065","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022743","15.694","0.002","15.694","0.002","8.2592","0.0012","90","","90","","90","","2034.2","0.5","143","1","143","1","","","","","","","","3","I -4","I -4","82","","","","- C11 H20 O -","- C11 H20 O -","- C88 H160 O8 -","8","1","","Gary A. Molander; Barbara Czakó; Michael Rheam","Construction of Bicyclic Ring Systems via a Transannular SmI~2~-Mediated Ketone-Olefin Cyclization Strategy","Journal of Organic Chemistry","2007","72","","1755","1764","10.1021/jo062292d","","","0.71069","MoKα","","0.1153","0.106","","","0.3133","0.3359","","","","","","1.401","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022963","22.4468","0.0007","22.4468","0.0007","5.7427","0.0003","90","","90","","90","","2893.5","0.2","153","2","153","2","","","","","","","","4","I -4","I -4","82","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C120 H136 N40 O8 -","8","1","","Dimitri M. Khramov; Christopher W. Bielawski","Donor-Acceptor Triazenes: Synthesis, Characterization, and Study of Their Electronic and Thermal Properties","Journal of Organic Chemistry","2007","72","","9407","9417","10.1021/jo070789x","","","0.71073","MoKα","","0.0859","0.0493","","","0.106","0.1133","","","","","","1.164","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023147","19.1978","0.0005","19.1978","0.0005","22.0008","0.0012","90","","90","","90","","8108.5","0.5","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C51.41 H41.17 N4 O2 -","- C51.419 H41.181 N4 O2 -","- C411.352 H329.448 N32 O16 -","8","1","","Jean Bouffard; Robert F. Eaton; Peter Müller; Timothy M. Swager","Iptycene-Derived Pyridazines and Phthalazines","Journal of Organic Chemistry","2007","72","","10166","10180","10.1021/jo702000d","","","0.71073","MoKα","","0.0564","0.0467","","","0.1178","0.1251","","","","","","1.023","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023777","22.3823","0.0009","22.3823","0.0009","6.5334","0.0003","90","","90","","90","","3273","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H24 N2 O S2 -","- C14 H24 N2 O S2 -","- C112 H192 N16 O8 S16 -","8","1","","Shamim Ahmed; Luke A. Baker; Richard S. Grainger; Paolo Innocenti; Camilo E. Quevedo","Thermal Elimination of Diethyldithiocarbamates and Application in the Synthesis of (±)-Ferrugine","Journal of Organic Chemistry","2008","73","","8116","8119","10.1021/jo801652x","","","1.54248","CuKα","","0.0301","0.0289","","","0.0725","0.0735","","","","","","1.047","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023972","13.7063","0.0019","13.7063","0.0019","22.371","0.005","90","","90","","90","","4202.6","1.2","133","2","133","2","","","","","","","","4","I -4","I -4","82","","","","- C20 H32 N O3.5 -","- C20 H32 N O3.5 -","- C160 H256 N8 O28 -","8","1","","Frank Surup; Oliver Wagner; Jan von Frieling; Michael Schleicher; Stefanie Oess; Peter Müller; Stephanie Grond","The Iromycins, a New Family of Pyridone Metabolites from Streptomyces sp. I. Structure, NOS Inhibitory Activity, and Biosynthesis","Journal of Organic Chemistry","2007","72","","5085","5090","10.1021/jo0703303","","","0.71073","MoKα","","0.0685","0.0628","","","0.1752","0.1812","","","","","","1.118","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024356","20.9948","0.0008","20.9948","0.0008","6.782","0.0005","90","","90","","90","","2989.4","0.3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H104 Cl5 N4 Na O8 -","- C52 H104 Cl5 N4 Na O8 -","- C104 H208 Cl10 N8 Na2 O16 -","2","0.25","","Michal Szostak; Lei Yao; Jeffrey Aubé","Stability of Medium-Bridged Twisted Amides in Aqueous Solutions","Journal of Organic Chemistry","2009","74","","1869","1875","10.1021/jo802192v","","","0.71073","MoKα","","0.0491","0.045","","","0.1166","0.1192","","","","","","1.03","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4024704","21.347","0.002","21.347","0.002","7.5132","0.0016","90","","90","","90","","3423.6","0.9","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H20 Br O5 P -","- C16 H20 Br O5 P -","- C128 H160 Br8 O40 P8 -","8","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0511","0.0458","","","0.1168","0.1204","","","","","","1.055","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4026171","17.3324","0.0008","17.3324","0.0008","10.8249","0.0005","90","","90","","90","","3251.9","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C18 H25 N O S -","- C18 H25 N O S -","- C144 H200 N8 O8 S8 -","8","1","","Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin","Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry","Journal of Organic Chemistry","2011","76","","2360","2366","10.1021/jo2000868","","","0.71073","MoKα","","0.0585","0.0406","","","0.0984","0.1214","","","","","","1.177","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4027175","22.5705","0.0017","22.5705","0.0017","8.0007","0.0006","90","","90","","90","","4075.8","0.5","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C184 H200 N8 O24 S8 -","8","1","","Nicolas Kern; Aurélien Blanc; Solène Miaskiewicz; Michelle Robinette; Jean-Marc Weibel; Patrick Pale","Coinage Metals-Catalyzed Cascade Reactions of Aryl Alkynylaziridines: Silver(I)-Single vs Gold(I)-Double Cyclizations","Journal of Organic Chemistry","2012","77","","4323","4341","10.1021/jo300294r","","","0.71073","MoKα","","0.1159","0.0597","","","0.1203","0.1413","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029135","22.783","0.003","22.783","0.003","5.7864","0.0011","90","","90","","90","","3003.5","0.8","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C19 H19 N2 O1.5 -","- C19 H16 N2 -","- C152 H128 N16 -","8","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.0699","0.0597","","","0.1485","0.1522","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4031130","18.8403","0.0004","18.8403","0.0004","9.439","0.0004","90","","90","","90","","3350.44","0.17","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C40 H86 B4 K4 N12 O29 -","- C40 H86 B4 K4 N12 O29 -","- C80 H172 B8 K8 N24 O58 -","2","0.25","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0349","0.0298","","","0.0713","0.0739","","","","","","1","","","","has coordinates,has disorder","140143","2020-10-21","18:00:00",""
"4032555","19.7868","0.0003","19.7868","0.0003","10.0428","0.0003","90","","90","","90","","3931.93","0.14","130","","130","","","","","","","","","4","I -4","I -4","82","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","1","","Schlegel, Marcel; Schneider, Christoph","Lewis Acid-Catalyzed Nucleophilic Addition of Indoles to in Situ-Generated 2-Amidoallyl Cations.","The Journal of organic chemistry","2017","82","11","5986","5992","10.1021/acs.joc.7b00791","","","0.71073","MoKα","","0.0638","0.0475","","","0.0794","0.0841","","","","","","1.081","","","","has coordinates","197346","2020-10-21","18:00:00",""
"4033200","25.919","0.012","25.919","0.012","11.739","0.006","90","","90","","90","","7886","7","143","","143","","","","","","","","","6","I -4","I -4","82","","","","- C120 H124 Cl44 N8 O8 Sb6 -","- C120 H96 Cl44 N8 O8 Sb6 -","- C240 H192 Cl88 N16 O16 Sb12 -","2","0.25","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.0786","0.0587","","","0.1237","0.1371","","","","","","0.909","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4035787","19.7225","0.0007","19.7225","0.0007","15.4255","0.0006","90","","90","","90","","6000.2","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H27 Cl N2 O -","- C33 H27 Cl N2 O -","- C264 H216 Cl8 N16 O8 -","8","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.0824","0.0516","","","0.1218","0.1351","","","","","","1.05","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4037808","23.5982","0.0013","23.5982","0.0013","9.8455","0.0006","90","","90","","90","","5482.7","0.5","200","2","200","","","","","","","","","5","I -4","I -4","82","","","","- C20 H22 Br I2 N3 -","- C20 H22 Br I2 N3 -","- C160 H176 Br8 I16 N24 -","8","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.079","0.0542","","","0.1425","0.1553","","","","","","1.074","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4038133","28.0545","0.0005","28.0545","0.0005","5.2665","0.0002","90","","90","","90","","4145.03","0.19","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C59 H52 N4 O -","- C59 H48 N4 O -","- C236 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0422","0.0392","","","0.1013","0.1034","","","","","","1.045","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038134","28.056","0.0004","28.056","0.0004","5.2757","0.0002","90","","90","","90","","4152.71","0.18","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C118 H99 N9 -","- C118 H96 N9 -","- C236 H192 N18 -","2","0.25","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0437","0.0398","","","0.0974","0.0992","","","","","","1.072","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038135","28.0572","0.0004","28.0572","0.0004","5.2734","0.0001","90","","90","","90","","4151.25","0.11","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C61 H54 N4 O -","- C61 H48 N4 O -","- C244 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0449","0.0441","","","0.1332","0.134","","","","","","1.087","","","","has coordinates,has disorder","250107","2020-10-21","18:00:00",""
"4060070","17.379","0.0012","17.379","0.0012","10.6941","0.0006","90","","90","","90","","3229.9","0.4","183","2","183","2","","","","","","","","5","I -4","I -4","82","","","","- C68 H76 Ni4 O8 P4 -","- C68 H76 Ni4 O8 P4 -","- C136 H152 Ni8 O16 P8 -","2","0.25","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.0682","0.0439","","","0.0772","0.0857","","","","","","1.015","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060072","18.7303","0.0004","18.7303","0.0004","12.5854","0.0002","90","","90","","90","","4415.26","0.15","183","2","183","2","","","","","","","","5","I -4","I -4","82","","","","- C84 H148 Ni4 O8 P4 -","- C84 H148 Ni4 O8 P4 -","- C168 H296 Ni8 O16 P8 -","2","0.25","","Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther","Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine","Organometallics","2005","24","","272","279","10.1021/om040111x","","","0.71073","MoKα","","0.0594","0.0482","","","0.1358","0.1441","","","","","","1.052","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060688","21.2358","0.001","21.2358","0.001","15.8385","0.0011","90","","90","","90","","7142.5","0.7","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C32 H48 N2 Si2 Yb -","- C32 H48 N2 Si2 Yb -","- C256 H384 N16 Si16 Yb8 -","8","1","","Toshiyuki Oshiki","Preparation, Structural Characterization, and Reactions of Tantalum-Alkyne Complexes","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061976","12.1466","0.0012","12.1466","0.0012","15.095","0.003","90","","90","","90","","2227.2","0.6","213","2","213","2","","","","","","","","4","I -4","I -4","82","","","","- C40 H60 Ga4 Pt -","- C40 H60 Ga4 Pt -","- C80 H120 Ga8 Pt2 -","2","0.25","","Christian Gemel; Mirza Cokoja","M(GaCp*)4 (M=Pd, Pt) as Building Blocks for Dimeric Homoleptic Cluster Compounds of the Type M2(GaCp*)5.","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061977","12.1107","0.0016","12.1107","0.0016","15.192","0.004","90","","90","","90","","2228.2","0.7","213","2","213","2","","","","","","","","4","I -4","I -4","82","","","","- C40 H60 Ga4 Pd -","- C40 H60 Ga4 Pd -","- C80 H120 Ga8 Pd2 -","2","0.25","","Christian Gemel; Mirza Cokoja","M(GaCp*)4 (M=Pd, Pt) as Building Blocks for Dimeric Homoleptic Cluster Compounds of the Type M2(GaCp*)5.","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062673","13.689","0.001","13.689","0.001","20.098","0.001","90","","90","","90","","3766.1","0.4","173","2","173","2","","","","","","","","3","I -4","I -4","82","","","","- C32 H20 Sn -","- C32 H20 Sn -","- C192 H120 Sn6 -","6","0.75","","Mohammed Lahcini; Pascal Castro; Mikko Kalmi; Martti Klinga; Markku Leskelä; Timo Repo","Tetrakis(phenylethynyl)tin(IV): a Novel Initiator for the Ring-Opening Polymerization of Lactide","Organometallics","2004","","","","","10.1021/om0400402","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063149","12.6476","0.0001","12.6476","0.0001","22.6513","0.0006","90","","90","","90","","3623.34","0.1","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H92 F N O12 Si8 -","- C72 H92 F N O12 Si8 -","- C144 H184 F2 N2 O24 Si16 -","2","0.25","","Peter G Taylor; David J Parker; Manuel Pourny; Peter N Horton; Michael B Hursthouse; Alan R Bassindale","","Organometallics","2004","","","","","10.1021/om049928g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063232","30.8401","0.0002","30.8401","0.0002","10.2288","0.0001","90","","90","","90","","9728.73","0.13","173","2","173","2","","","","","","","synthesis as described","7","I -4","I -4","82","[MgCl(thf)(mesNPPh2CHPPh2Nmes)].toluene","","","- C54 H59 Cl Mg N2 O P2 -","- C54 H59 Cl Mg N2 O P2 -","- C432 H472 Cl8 Mg8 N16 O8 P16 -","8","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.047","0.038","","","0.0831","0.0873","","","","","","1.031","","","","has coordinates","201926","2020-10-21","18:00:00",""
"4063359","10.8874","0.0015","10.8874","0.0015","13.79","0.003","90","","90","","90","","1634.6","0.5","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H28 Li N8 Pr S4 -","- C24 H28 Li N8 Pr S4 -","- C48 H56 Li2 N16 Pr2 S8 -","2","0.25","","Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping","Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization","Organometallics","2011","30","2","208","214","10.1021/om100671s","","","0.71073","MoKα","","0.0223","0.0222","","","0.0623","0.0624","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063360","10.8371","0.0015","10.8371","0.0015","13.748","0.003","90","","90","","90","","1614.6","0.5","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H28 Li N8 S4 Sm -","- C24 H28 Li N8 S4 Sm -","- C48 H56 Li2 N16 S8 Sm2 -","2","0.25","","Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping","Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization","Organometallics","2011","30","2","208","214","10.1021/om100671s","","","0.71073","MoKα","","0.0232","0.0231","","","0.0673","0.0673","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063361","10.8407","0.0015","10.8407","0.0015","13.72","0.003","90","","90","","90","","1612.4","0.5","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H28 Eu Li N8 S4 -","- C24 H28 Eu Li N8 S4 -","- C48 H56 Eu2 Li2 N16 S8 -","2","0.25","","Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping","Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization","Organometallics","2011","30","2","208","214","10.1021/om100671s","","","0.71073","MoKα","","0.0222","0.0222","","","0.0646","0.0646","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063378","26.5354","0.001","26.5354","0.001","9.0872","0.0004","90","","90","","90","","6398.5","0.4","100","2","100","2","","","","","","","","5","I -4","I -4","82","","{(hapto^6^-p-cymene)[N-(2-chloro-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)kappaN'-(1-kappaN-pyridin-2-yl-methylidene)]azine chlorido- ruthenium(II)} chloride","","- C31 H28 Cl3 N5 Ru -","- C31 H28 Cl3 N5 Ru -","- C248 H224 Cl24 N40 Ru8 -","8","1","","Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B.","Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity","Organometallics","2011","30","2","273","283","10.1021/om101004z","","","0.71073","MoKα","","0.0848","0.0593","","","0.1509","0.1646","","","","","","1.034","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063991","12.1267","0.0004","12.1267","0.0004","14.2866","0.0007","90","","90","","90","","2100.94","0.14","150","2","150","2","","","","","","","synthesized by the authors","4","I -4","I -4","82","","","","- C40 H60 S4 Ti4 -","- C40 H60 S4 Ti4 -","- C80 H120 S8 Ti8 -","2","0.25","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0438","0.0424","","","0.1085","0.1094","","","","","","1.064","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4065029","15.31","0.005","15.31","0.005","23.666","0.005","90","0.005","90","0.005","90","0.005","5547","3","130","1","130","1","","","","","","","","6","I -4","I -4","82","Compound X","","","- C126 H116 Cl6 Fe4 P4 Ru -","- C114 H88 Cl6 Fe4 P4 Ru -","- C228 H176 Cl12 Fe8 P8 Ru2 -","2","0.25","","Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry","Organometallics","2011","30","17","4665","","10.1021/om2005194","","","0.71069","MoKα","","0.0895","0.0854","","","0.2166","0.2212","","","","","","1.126","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4065321","25.2681","0.0009","25.2681","0.0009","9.3535","0.0003","90","","90","","90","","5972","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","1518 [FeCl(CO)(PN-iPr)2]Cl.solv","","","- C23 H38 Cl2 Fe N4 O P2 -","- C23 H38 Cl2 Fe N4 O P2 -","- C184 H304 Cl16 Fe8 N32 O8 P16 -","8","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0846","0.0659","","","0.1774","0.1908","","","","","","1.098","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4067067","22.7532","0.0004","22.7532","0.0004","9.0625","0.0004","90","","90","","90","","4691.7","0.2","223","2","223","2","","","","","","","","5","I -4","I -4","82","","","","- C23.25 H33.5 Cl1.5 Ir N -","- C23.25 H33.5 Cl1.5 Ir N -","- C186 H268 Cl12 Ir8 N8 -","8","1","","Kumaran, Elumalai; Sridevi, Venugopal Shanmugham; Leong, Weng Kee","Orthometalated Amino-Carbene Derivatives of Iridium via Anilines and Terminal Alkynes","Organometallics","2010","29","23","6417","","10.1021/om100803g","","","0.71073","MoKα","","0.0284","0.0273","","","0.0662","0.0699","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067123","17.3852","0.0003","17.3852","0.0003","8.9337","0.0002","90","","90","","90","","2700.17","0.09","180","2","180","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H77 Fe4 Li O4 P4 -","- C52 H77 Fe4 Li O4 P4 -","- C104 H154 Fe8 Li2 O8 P8 -","2","0.25","","Serrano, Cristina Berges; Less, Robert J.; McPartlin, Mary; Naseri, Vesal; Wright, Dominic S.","The First-Row Transition Metal Interstitial Hydride Anion [{PhP(CH2)3Fe}4(μ4-H)]","Organometallics","2010","29","22","5754","","10.1021/om100838u","","","0.71073","MoKα","","0.0318","0.0287","","","0.0612","0.0622","","","","","","1.006","","","","has coordinates,has disorder","281947","2023-03-20","09:52:29",""
"4067654","26.025","0.006","26.025","0.006","9.337","0.003","90","","90","","90","","6324","3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C32 H46 Er N3 Si -","- C32 H46 Er N3 Si -","- C256 H368 Er8 N24 Si8 -","8","1","","Zheng, Pengzhi; Hong, Jianquan; Liu, Ruiting; Zhang, Zhengxing; Pang, Zhen; Weng, Linhong; Zhou, Xigeng","Synthesis and Reactivities of Guanidinate Dianion Complexes of Heterobimetallic Lanthanide−Lithium Cp2Ln[(CyN)2CNPh]Li(THF)3","Organometallics","2010","29","5","1284","","10.1021/om9010615","","","0.71073","MoKα","","0.0573","0.0375","","","0.0399","0.0416","","","","","","0.908","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4068071","27.993","0.004","27.993","0.004","8.8744","0.0012","90","","90","","90","","6954.1","1.7","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C144 H196 Li20 N16 -","- C144 H196 Li20 N16 -","- C288 H392 Li40 N32 -","2","0.25","","Pöppler, Ann-Christin; Meinholz, Margret M.; Faßhuber, Hannes; Lange, Adam; John, Michael; Stalke, Dietmar","Mixed Crystalline Lithium Organics and Interconversion in Solution","Organometallics","2012","31","1","42","","10.1021/om2010639","","","0.71073","MoKα","","0.0457","0.0379","","","0.0912","0.095","","","","","","1.08","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4069533","22.727","0.005","22.727","0.005","11.58","0.005","90","","90","","90","","5981","3","180","2","180","2","","","","","","","","6","I -4","I -4","82","","","","- C22 H43 Br3 N P Pt -","- C22 H43 Br3 N P Pt -","- C176 H344 Br24 N8 P8 Pt8 -","8","1","","Dub, Pavel A.; Rodriguez-Zubiri, Mireia; Daran, Jean-Claude; Brunet, Jean-Jacques; Poli, Rinaldo","Platinum-Catalyzed Ethylene Hydroamination with Aniline: Synthesis, Characterization, and Studies of Intermediates","Organometallics","2009","28","16","4764","","10.1021/om9002494","","","0.71069","MoKα","","0.0294","0.0226","","","0.0573","0.06","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069567","34.142","0.012","34.142","0.012","12.635","0.004","90","","90","","90","","14728","9","103","2","103","2","","","","","","","","6","I -4","I -4","82","compound4b","","","- C72 H101 N O2 P2 Si7 -","- C72 H101 N O2 P2 Si7 -","- C576 H808 N8 O16 P16 Si56 -","8","1","","Tsurusaki, Akihiro; Sasamori, Takahiro; Tokitoh, Norihiro","[4+2] Cycloaddition of 9-Anthryldiphosphene with Electron-Deficient Olefins: Transformation of a Diaryldiphosphene to Alkylaryldiphosphenes","Organometallics","2009","28","13","3604","","10.1021/om900284p","","","0.7107","MoKα","","0.093","0.0843","","","0.2237","0.2332","","","","","","1.074","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4072110","23.1848","0.001","23.1848","0.001","10.3243","0.0006","90","","90","","90","","5549.7","0.5","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- C24 H38 Si4 -","- C24 H38 Si4 -","- C192 H304 Si32 -","8","1","","Lim, Young Mook; Lee, Myong Euy; Lee, Junseong; Do, Youngkyu","Reactivity of Bromodilithiosilane to Naphthalene and Anthracene","Organometallics","2008","27","23","6375","","10.1021/om800596t","","","0.71073","MoKα","","0.1265","0.0883","","","0.2119","0.2366","","","","","","0.997","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072618","14.5205","0.001","14.5205","0.001","12.3875","0.0011","90","","90","","90","","2611.8","0.3","296","2","296","2","","","","","","","","6","I -4","I -4","82","","1,2,2,5,5-Pentamethyl-4-chloromercurio-2,5-dihydro-1H-imidazole-3-oxide","","- C8.5 H17 Cl Hg N2 O1.5 -","- C8.5 H15 Cl Hg N2 O1.5 -","- C68 H120 Cl8 Hg8 N16 O12 -","8","1","","Voinov, Maxim A.; Shevelev, Tikhon G.; Rybalova, Tatyana V.; Gatilov, Yury V.; Pervukhina, Natalie V.; Burdukov, Aleksei B.; Grigor'ev, Igor A.","α-Organoelement Nitrones: Synthesis, Properties, and IR and13C NMR Spectral and X-ray Structural Characterization†","Organometallics","2007","26","7","1607","","10.1021/om060883o","","","0.71073","MoKα","","0.049","0.04","","","0.0934","0.0987","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073452","21.043","0.004","21.043","0.004","7.488","0.002","90","","90","","90","","3315.7","1.3","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C18 H14 Cl N O S Ti -","- C18 H14 Cl N O S Ti -","- C144 H112 Cl8 N8 O8 S8 Ti8 -","8","1","","Zhang, Jun; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Ethylene Polymerization of Group IV Metal Complexes with Mono-Cp and Tridentate Aryloxide or Arylsulfide Ligands","Organometallics","2007","26","16","4042","","10.1021/om700338y","","","0.71073","MoKα","","0.052","0.0419","","","0.0787","0.0816","","","","","","0.957","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073469","24.918","0.0015","24.918","0.0015","9.214","0.0011","90","","90","","90","","5721","0.8","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C34 H42 Au P -","- C34 H42 Au P -","- C272 H336 Au8 P8 -","8","1","","Partyka, David V.; Esswein, Arthur J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Gold(I) Pyrenyls: Excited-State Consequences of Carbon−Gold Bond Formation","Organometallics","2007","26","14","3279","","10.1021/om700346v","","","0.71073","MoKα","","0.05","0.0468","","","0.1204","0.124","","","","","","1.091","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4075367","21.268","0.005","21.268","0.005","11.459","0.005","90","","90","","90","","5183","3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C112 H84 Cl8 Fe4 N20 Zn4 -","- C112 H84 Cl8 Fe4 N20 Zn4 -","- C224 H168 Cl16 Fe8 N40 Zn8 -","2","0.25","","Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.","Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)","Organometallics","2006","25","12","2914","","10.1021/om060252u","","","0.71069","MoKα","","0.0713","0.0542","","","0.1037","0.1181","","","","","","1.092","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4076263","11.068","0.003","11.068","0.003","12.901","0.006","90","","90","","90","","1580.4","1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C28 H38 Cr4 N0 O5 Se4 -","- C28 H32 Cr4 O5 Se4 -","- C56 H64 Cr8 O10 Se8 -","2","0.25","","Song, Li-Cheng; Cheng, Hua-Wei; Hu, Qing-Mei","A Basic Strategy for Functionalization of Metal Cyclopentadienyl Complexes: Synthesis, Characterization, and Reactivity of Linear, Butterfly, and Cubic Chromium/Selenium Complexes Containing Functionally Substituted Cyclopentadienyl Ligands","Organometallics","2004","23","5","1072","","10.1021/om034283q","","","0.71073","MoKα","","0.1417","0.0576","","","0.1363","0.1713","","","","","","0.982","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4077477","20.323","0.004","20.323","0.004","12.743","0.003","90","","90","","90","","5263.2","1.9","160","2","160","2","","","","","","","","6","I -4","I -4","82","","","","- C84 H164 O12 P4 Si8 Yb4 -","- C68 H124 O8 P4 Si8 Yb4 -","- C136 H248 O16 P8 Si16 Yb8 -","2","0.25","","Clegg, William; Izod, Keith; Liddle, Stephen T.; O'Shaughness, Paul; Sheffield, Joanne M.","Synthesis and Structural Characterization of the First Lanthanide(II) Cuboidal Cluster. Unexpected C−O Activation by an Unchanged Ytterbium(II) Center","Organometallics","2000","19","11","2090","","10.1021/om000057u","","","0.71073","MoKα","","0.0257","0.0233","","","0.0534","0.0544","","","","","","1.022","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077531","20.4587","0.0017","20.4587","0.0017","12.6985","0.0015","90","","90","","90","","5315.1","0.9","160","2","160","2","","","","","","","","6","I -4","I -4","82","","","","- C84 H156 Ca4 O12 P4 Si8 -","- C68 H124 Ca4 O8 P4 Si8 -","- C136 H248 Ca8 O16 P8 Si16 -","2","0.25","","Izod, Keith; Clegg, William; Liddle, Stephen T.","Parallels between the Chemistry of Calcium(II) and Ytterbium(II). Synthesis and Crystal Structure of a Calcium Alkoxo-Phosphide Cuboidal Complex","Organometallics","2000","19","18","3640","","10.1021/om000357b","","","0.71073","MoKα","","0.044","0.032","","","0.06","0.0626","","","","","","0.962","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4078246","15.1577","0.0012","15.1577","0.0012","14.868","0.002","90","","90","","90","","3416","0.6","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C60 H108 Ni5 P4 Si4 -","- C60 H107.591 Ni5 P4 Si4 -","- C120 H215.182 Ni10 P8 Si8 -","2","0.25","","Beck, Robert; Johnson, Samuel A.","Structural Similarities in Dinuclear, Tetranuclear, and Pentanuclear Nickel Silyl and Silylene Complexes Obtained via Si‒H and Si‒C Activation","Organometallics","2012","31","9","3599","","10.1021/om300120x","","","0.71073","MoKα","","0.029","0.0275","","","0.0668","0.0685","","","","","","1.071","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078723","20.13","0.007","20.13","0.007","14.315","0.005","90","","90","","90","","5801","3","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C114 H112 Cl4 O8 P4 Pd4 -","- C114 H112 Cl4 O8 P4 Pd4 -","- C228 H224 Cl8 O16 P8 Pd8 -","2","0.25","","Wakioka, Masayuki; Nakamura, Yuki; Wang, Qifeng; Ozawa, Fumiyuki","Direct Arylation of 2-Methylthiophene with Isolated [PdAr(μ-O2CR)(PPh3)]nComplexes: Kinetics and Mechanism","Organometallics","2012","31","13","4810","","10.1021/om300367k","","x-ray","0.7107","MoKα","","0.1031","0.0862","","","0.2027","0.2147","","","","","","1.12","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4079469","19.2478","0.0014","19.2478","0.0014","11.0743","0.0017","90","","90","","90","","4102.8","0.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C16 H24 Bi Cl N2 Si2 -","- C16 H24 Bi Cl N2 Si2 -","- C128 H192 Bi8 Cl8 N16 Si16 -","8","1","","Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar","Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity","Organometallics","2012","31","18","6697","","10.1021/om300758s","","","0.71073","MoKα","","0.0115","0.0114","","","0.0289","0.0289","","","","","","1.093","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079535","29.2355","0.0018","29.2355","0.0018","12.9427","0.0016","90","","90","","90","","11062.3","1.7","153","2","153","2","","","","","","","","7","I -4","I -4","82","","","","- C152 H304 Ga8 N8 O24 S4 Si16 -","- C152 H304 Ga8 N8 O24 S4 Si16 -","- C304 H608 Ga16 N16 O48 S8 Si32 -","2","0.25","","Uhl, Werner; Stefaniak, Christina; Voß, Matthias; Kösters, Jutta; Rogel, Friedhelm","Gallium‒Gallium Bonds As Effective Templates for the Generation of Macrocycles and Supramolecular Entities","Organometallics","2012","31","19","6988","","10.1021/om3008025","","","0.71073","MoKα","","0.0565","0.0426","","","0.1172","0.1243","","","","","","1.034","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4080903","24.1779","0.0009","24.1779","0.0009","25.2815","0.0009","90","","90","","90","","14778.8","0.9","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C64 H70 Au3 Cu F6 O4 P4 -","- C64 H70 Au3 Cu F6 O4 P4 -","- C512 H560 Au24 Cu8 F48 O32 P32 -","8","1","","Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O.","Toward Luminescence Vapochromism of Tetranuclear AuI‒CuIClusters","Organometallics","2013","32","15","4061","","10.1021/om301100v","","","0.71073","MoKα","","0.055","0.04","","","0.1064","0.1128","","","","","","0.92","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4081616","23.4053","0.0008","23.4053","0.0008","5.8962","0.0004","90","","90","","90","","3230","0.3","183","2","183","2","","","","","","","","5","I -4","I -4","82","","","","- C19 H19 Fe N S -","- C19 H19 Fe N S -","- C152 H152 Fe8 N8 S8 -","8","1","","Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles","Synthesis of Ferrocenyl and Ruthenocenyl Thioamide Derivatives Using a Single-Step Three-Component Reaction","Organometallics","2013","32","20","6098","","10.1021/om400715m","","","0.7107","MoKα","","0.0403","0.0351","","","0.0727","0.075","","","","","","1.033","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4082219","25.8167","0.0015","25.8167","0.0015","28.941","0.002","90","","90","","90","","19289","2","103","2","103","2","","","","","","","","6","I -4","I -4","82","","","","- C94.5 H111.5 N6 O12 Os3 Pd3 -","- C94.5 H111.5 N6 O12 Os3 Pd3 -","- C756 H892 N48 O96 Os24 Pd24 -","8","1","","Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee","Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands","Organometallics","2013","32","24","7559","","10.1021/om401031h","","","0.71073","MoKα","","0.0832","0.0447","","","0.0983","0.1278","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082837","23.2175","0.0008","23.2175","0.0008","12.6652","0.0005","90","","90","","90","","6827.2","0.4","193","2","193","2","","","","","","","synthesis as described","5","I -4","I -4","82","","","","- C30.52 H43.3 N2 O7.13 Pd -","- C30.52 H43.3 N2 O7.13 Pd -","- C244.16 H346.4 N16 O57.04 Pd8 -","8","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat","Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity","Organometallics","2014","33","7","1812","","10.1021/om5001502","","x-ray","0.71073","MoKα","","0.0224","0.0216","","","0.0631","0.0638","","","","","","1.112","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4083682","23.396","0.005","23.396","0.005","10.755","0.004","90","","90","","90","","5887","3","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- C32 H39 N4 Yb -","- C32 H39 N4 Yb -","- C256 H312 N32 Yb8 -","8","1","","Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng","Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes","Organometallics","2007","26","8","1934","","10.1021/om061094+","","","0.71073","MoKα","","0.0331","0.0275","","","0.0449","0.0459","","","","","","0.912","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4084093","11.587","0.003","11.587","0.003","15.151","0.003","90","","90","","90","","2034.2","0.8","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C40 H60 B Cr4 F4 O4 -","- C40 H60 B Cr4 F4 O4 -","- C80 H120 B2 Cr8 F8 O8 -","2","0.25","","Allen, Daryl P.; Bottomley, Frank; Day, Robert W.; Decken, Andreas; Sanchez, Victor; Summers, David A.; Thompson, Robert C.","Organometallic Oxides: Oxidation of the Cubane [(η-C5R5)Cr(μ3-O)]4and the Structures and Magnetic Properties of the Salts {[(η-C5R5)Cr(μ3-O)]4}{tcnq} and {[(η-C5R5)Cr(μ3-O)]4}{BF4}","Organometallics","2001","20","9","1840","","10.1021/om001067y","","","0.71073","MoKα","","0.1977","0.0447","","0.1446","0.1021","","","","1.033","1.195","1.195","","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084260","14.8581","0.0008","14.8581","0.0008","8.4799","0.0007","90","","90","","90","","1872","0.2","173","0.14","173","0.14","","","","","","","","5","I -4","I -4","82","","","","- C32.5 H33 Br4 Cl Ru -","- C32.52 H32 Br4 Cl0.96 Ru -","- C65.04 H64 Br8 Cl1.92 Ru2 -","2","0.25","","So, Shiu-Chun; Cheung, Wai-Man; Wang, Guo-Cang; Kwan Huang, Enrique; Lau, Man-Kit; Zhang, Qian-Feng; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Migratory Insertion and Reductive Coupling of Tetraarylruthenium(IV) Complexes","Organometallics","2014","33","17","4497","","10.1021/om500707e","","x-ray","1.5418","CuKα","","0.0337","0.033","","","0.0862","0.0873","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085031","13.9467","0.0013","13.9467","0.0013","29.586","0.003","90","","90","","90","","5754.8","1","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C84 H104 B4 O16 P4 -","- C84 H104 B4 O16 P4 -","- C168 H208 B8 O32 P8 -","2","0.25","","Liu, Qian; Contrella, Nathan D.; Filatov, Alexander S.; Jordan, Richard F.","Synthesis of Borophosphonate Cage Compounds: Influence of Substituent and Concentration Effects on Product Distribution in Condensation Reactions of Aryl Phosphonic Acids and Boronic Acids","Organometallics","2015","34","1","254","","10.1021/om501101q","","","0.71073","Mo-Kα","","0.0652","0.0622","","","0.1593","0.1615","","","","","","1.079","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085741","26.6098","0.0004","26.6098","0.0004","9.6169","0.0002","90","","90","","90","","6809.5","0.2","150","","150","","","","","","","","","8","I -4","I -4","82","","","","- C29 H46 F3 N O3 P2 S Zr -","- C29 H46 F3 N O3 P2 S Zr -","- C232 H368 F24 N8 O24 P16 S8 Zr8 -","8","1","","Kamitani, Masahiro; Searles, Keith; Chen, Chun-Hsing; Carroll, Patrick J.; Mindiola, Daniel J.","β-Hydrogen Abstraction of an Ethyl Group Provides Entry to Titanium and Zirconium Ethylene Complexes","Organometallics","2015","34","11","2558","","10.1021/om501226k","","","0.71073","MoKα","","0.057","0.0485","","0.1103","0.1071","0.1103","","","","","","0.9719","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4087154","23.0436","0.0016","23.0436","0.0016","13.4662","0.0012","90","","90","","90","","7150.7","0.9","120","2","120","2","","","","","","","","5","I -4","I -4","82","","","","- C30 H40 I P2 Pt -","- C30 H40 I P2 Pt -","- C240 H320 I8 P16 Pt8 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0217","0.0178","","","0.0359","0.0379","","","","","","1.035","","","","has coordinates","193345","2020-10-21","18:00:00",""
"4087520","16.3339","0.0006","16.3339","0.0006","7.254","0.0005","90","","90","","90","","1935.34","0.17","200","2","200","2","","","","","","","","3","I -4","I -4","82","","","","- C44 H60 U -","- C44 H60 U -","- C88 H120 U2 -","2","0.25","","Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.","New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives","Organometallics","2015","34","12","2889","","10.1021/acs.organomet.5b00212","","","0.71073","MoKα","","0.0535","0.0345","","","0.0646","0.0802","","","","","","1.13","","","","has coordinates","236835","2020-10-21","18:00:00",""
"4087635","27.634","0.005","27.634","0.005","15.656","0.003","90","","90","","90","","11956","4","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C54 H66 Fe K O2 S2 Y -","- C54 H66 Fe K O2 S2 Y -","- C432 H528 Fe8 K8 O16 S16 Y8 -","8","1","","Wang, Xinke; Brosmer, Jonathan L.; Thevenon, Arnaud; Diaconescu, Paula L.","Highly Active Yttrium Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and δ-Valerolactone","Organometallics","2015","34","19","4700","","10.1021/acs.organomet.5b00442","","","0.71073","MoKα","","0.0529","0.0441","","","0.1151","0.1201","","","","","","0.983","","","","has coordinates","236892","2020-10-21","18:00:00",""
"4088057","15.7351","0.0002","15.7351","0.0002","19.13","0.0004","90","","90","","90","","4736.46","0.13","150","2","150","2","","","","","","","","7","I -4","I -4","82","","","","- C20.5 H32 Cl Cu D1.5 Ge N2 -","- C20.5 H32 Cl Cu D1.5 Ge N2 -","- C164 H256 Cl8 Cu8 D12 Ge8 N16 -","8","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.0335","0.0303","","","0.0825","0.0861","","","","","","1.109","","","","has coordinates,has disorder","237235","2020-10-21","18:00:00",""
"4088664","20.555","0.005","20.555","0.005","16.443","0.004","90","","90","","90","","6947","3","140","2","140.15","","","","","","","","","7","I -4","I -4","82","","","","- C37 H48 B La N2 O Si -","- C37 H48 B La N2 O Si -","- C296 H384 B8 La8 N16 O8 Si8 -","8","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0809","0.0551","","","0.1375","0.1606","","","","","","1.071","","","","has coordinates","237754","2020-10-21","18:00:00",""
"4100282","27.0925","0.001","27.0925","","8.2461","0.0003","90","","90","","90","","6052.7","0.3","117","1","117","1","","","","","","","","4","I -4","I -4","82","","","","- C33 H43 N3 O2 -","- C33 H43 N3 O2 -","- C264 H344 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4101368","27.2151","0.0008","27.2151","0.0008","10.5174","0.0004","90","","90","","90","","7789.8","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C42 H36.5 Cl2 F8 N4 O1.25 Ru -","- C42 H36.5 Cl2 F8 N4 O1.25 Ru -","- C336 H292 Cl16 F64 N32 O10 Ru8 -","8","1","","Ritter, Tobias; Day, Michael W; Grubbs, Robert H","Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.","Journal of the American Chemical Society","2006","128","36","11768","11769","10.1021/ja064091x","","","0.71073","MoKα","","0.0771","0.0441","","","0.0685","0.0748","","","","","","0.946","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102580","22.0889","0.0004","22.0889","0.0004","13.8862","0.0004","90","","90","","90","","6775.3","0.3","295","2","295","2","","","","","","","","6","I -4","I -4","82","","","","- C30 H28 Cl2 F6 O6 Pd2 -","- C30 H28 Cl2 F6 O6 Pd2 -","- C240 H224 Cl16 F48 O48 Pd16 -","8","1","","Parthasarathy Gandeepan; Kanniyappan Parthasarathy; Chien-Hong Cheng","Synthesis of Phenanthrone Derivatives from sec-Alkyl Aryl Ketones and Aryl Halides via a Palladium-Catalyzed Dual C-H Bond Activation and Enolate Cyclization","Journal of the American Chemical Society","2010","132","","8569","8571","10.1021/ja1026248","","","0.71073","MoKα","","0.0694","0.0409","","","0.0867","0.1003","","","","","","1.012","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4103446","9.8276","0.0004","9.8276","0.0004","9.6372","0.0007","90","","90","","90","","930.78","0.09","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- Be12 Na4 O4 Si4 -","- Be6.036 Na4 O16 Si5.964 -","- Be12.072 Na8 O32 Si11.928 -","2","0.25","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0777","0.0723","","","0.189","0.1944","","","","","","1.118","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103821","21.1763","0.0014","21.1763","0.0014","12.835","0.001","90","","90","","90","","5755.7","0.7","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C29 H29 B Mo N7 O6 -","- C29 H29 B Mo N7 O6 -","- C232 H232 B8 Mo8 N56 O48 -","8","1","","Thomas C. Coombs; Yongqiang Zhang; Ethel C. Garnier-Amblard; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding. Sequential Semipinacol/1,5-""Michael-like"" Reactions as a Strategic Approach to Bridgehead-Quaternary Center Aza[3.3.1]Bicyclics: Application to the Total Synthesis of (-)-Adaline","Journal of the American Chemical Society","2009","131","","876","877","10.1021/ja808533z","","","0.71073","MoKα","","0.0492","0.0413","","","0.0801","0.0814","","","","","","1.008","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4104326","18.4911","0.0007","18.4911","0.0007","13.9617","0.001","90","","90","","90","","4773.8","0.4","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C20 H34 B N9 O2 -","- C20 H31 B N9 O2 -","- C160 H248 B8 N72 O16 -","8","1","","Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng","Zeolite RHO-Type Net with the Lightest Elements","Journal of the American Chemical Society","2009","131","","6111","6113","10.1021/ja901725v","","","0.71073","MoKα","","0.0885","0.0702","","","0.1895","0.2067","","","","","","1.032","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104473","27.1026","0.0003","27.1026","0.0003","12.2397","0.0004","90","","90","","90","","8990.7","0.3","20","2","20","2","","","","","","","","5","I -4","I -4","82","","","","- C55.96 H47.56 Cl8.28 Co4 N16 -","- C55.9607 H47.5573 Cl8.28533 Co4 N16 -","- C335.764 H285.344 Cl49.712 Co24 N96 -","6","0.75","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.643","","","0.0678","0.0524","","","0.1337","0.1401","","","","","","1.043","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104474","27.2473","0.0003","27.2473","0.0003","12.257","0.0003","90","","90","","90","","9099.8","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C56.1 H47.49 Cl8.19 Co4 N16 -","- C56.0853 H47.4667 Cl8.17067 Co4 N16 -","- C336.512 H284.8 Cl49.024 Co24 N96 -","6","0.75","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.643","","","0.0767","0.0578","","","0.1439","0.1522","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104475","27.483","0.012","27.483","0.012","12.376","0.007","90","","90","","90","","9348","8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C42.25 H35.75 Cl6.5 Co3 N12 -","- C42.1685 H35.684 Cl6.337 Co3 N12 -","- C337.348 H285.472 Cl50.696 Co24 N96 -","8","1","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.643","","","0.092","0.0637","","","0.1666","0.1854","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104476","27.132","0.003","27.132","0.003","12.201","0.002","90","","90","","90","","8982","2","100","1","","","","","","","","","","5","I -4","I -4","82","","","","- C42.11 H35.7 Cl6.21 Co3 N12 -","- C42.1055 H35.702 Cl6.2109 Co3 N12 -","- C336.844 H285.616 Cl49.6872 Co24 N96 -","8","1","","Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen","Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains","Journal of the American Chemical Society","2009","131","","7580","7591","10.1021/ja8091032","","","0.71073","MoKα","","0.043","0.031","","","","0.055","","","","","","1.316","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105724","18.723","0.003","18.723","0.003","5.7808","0.0012","90","","90","","90","","2026.5","0.6","133","2","133","2","","","","","","","","4","I -4","I -4","82","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.0383","0.0365","","","0.0905","0.0916","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106197","27.2245","0.0006","27.2245","0.0006","13.8202","0.0004","90","","90","","90","","10243.2","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","[SiPipr2SAd]FeCp","","","- C96 H120 Fe2 O P4 S2 Si4 -","- C96 H120 Fe2 O P4 S2 Si4 -","- C384 H480 Fe8 O4 P16 S8 Si16 -","4","0.5","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0612","0.0498","","","0.1376","0.1455","","","","","","1.077","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106514","18.8569","0.0004","18.8569","0.0004","16.0871","0.0007","90","","90","","90","","5720.3","0.3","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H40 B2 N12 O4 Zn2 -","- C38 H40 B2 N12 O4 Zn2 -","- C152 H160 B8 N48 O16 Zn8 -","4","0.5","","Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu","Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks","Journal of the American Chemical Society","2011","133","","11884","11887","10.1021/ja2040927","","","0.71073","MoKα","","0.106","0.0557","","","0.1499","0.1605","","","","","","0.859","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4109835","21.481","0.005","21.481","0.005","15.148","0.005","90","","90","","90","","6990","3","150","2","150","2","","","","","","","","4","I -4","I -4","82","Mn12tert-butyl-acetate","","","- C101 H191 Mn12 O49 -","- C101 H191 Mn12 O49 -","- C202 H382 Mn24 O98 -","2","0.25","","Anne-Laure Barra; Andrea Caneschi; Andrea Cornia; Dante Gatteschi; Lapo Gorini; Leo-Philipp Heiniger; Roberta Sessoli; Lorenzo Sorace","The Origin of Transverse Anisotropy in Axially Symmetric Single Molecule Magnets","Journal of the American Chemical Society","2007","129","","10754","10762","10.1021/ja0717921","","","0.71073","MoKα","","0.0686","0.0568","","","0.145","0.1632","","","","","","1.167","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4110373","11.772","0.003","11.772","0.003","9.062","0.002","90","","90","","90","","1255.8","0.5","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- C3 H3 O5 Tc -","- C3 H3 O5 Tc -","- C24 H24 O40 Tc8 -","8","1","","Maaz Zuhayra; Willm Uwe Kampen; Eberhard Henze; Zsolt Soti; Laslo Zsolnai; Gottfried Huttner; Franz Oberdorfer","A Planar Water Tetramer with Tetrahedrally Coordinated Water Embedded in a Hydrogen Bonding Network of [Tc4(CO)12-(μ3-OH)4.4H2O]","Journal of the American Chemical Society","2006","128","","424","425","10.1021/ja057142j","","","0.71073","MoKα","","0.0247","0.0244","","0.0601","0.0599","","","","1.082","1.092","1.092","","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110658","15.607","0.002","15.607","0.002","12.157","0.002","90","","90","","90","","2961.2","0.7","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C51 H104 Li4 N4 Si4 -","- C51 H104 Li4 N4 Si4 -","- C102 H208 Li8 N8 Si8 -","2","0.25","","Carsten Strohmann; Klaus Lehmen; Stefan Dilsky","A Monolithiated and Its Related 1,3-Dilithiated Allylsilane: Syntheses, Crystal Structures, and Reactivity","Journal of the American Chemical Society","2006","128","","8102","8103","10.1021/ja061286w","","","0.71073","MoKα","","0.0605","0.0476","","","0.1306","0.1388","","","","","","1.095","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4112134","12.8621","0.0004","12.8621","0.0004","12.5732","0.0005","90","","90","","90","","2080.03","0.12","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C8 H18 Li2 O2 -","- C8 H18 Li2 O2 -","- C64 H144 Li16 O16 -","8","1","","John F. Allan; Roger Nassar; Elizabeth Specht; Alicia Beatty; Nathalie Calin; Kenneth W. Henderson","Characterization of a Kinetically Stable, Highly Ordered, Octameric Form of Lithium tert-Butoxide and Its Implications Regarding Aggregate Formation","Journal of the American Chemical Society","2004","126","","484","485","10.1021/ja038420m","","","0.71073","MoKα","","0.0297","0.0295","","","0.0763","0.0765","","","","","","1.062","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112142","31.997","","31.997","","20.178","0.0004","90","","90","","90","","20658.4","0.4","153","2","153","2","","","","","","","synthesis as described","3","I -4","I -4","82","","","","- C149 H102 Si5 -","- C149.25 H86 Si5 -","- C1194 H688 Si40 -","8","1","","Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura","Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection","Journal of the American Chemical Society","2004","126","","432","433","10.1021/ja038816y","","x-ray","0.71073","MoKα","","0.0835","0.0796","","","0.2115","0.2145","","","","","","1.059","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112949","18.6299","0.0007","18.6299","0.0007","14.3535","0.001","90","","90","","90","","4981.7","0.4","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H144 N4 O40 P W12 -","- C64 H144 N4 O40 P W12 -","- C128 H288 N8 O80 P2 W24 -","2","0.25","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0493","0.0429","","","0.115","0.1192","","","","","","1.067","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113121","17.2213","0.0005","17.2213","0.0005","10.7164","0.0004","90","","90","","90","","3178.2","0.18","150","2","150","2","","","","","","","","6","I -4","I -4","82","Compound DL121","","","- C24 H66 K2 N4 O52 W12 -","- C24 H66 K2 N4 O52 W12 -","- C48 H132 K4 N8 O104 W24 -","2","0.25","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.0252","0.0222","","","0.0425","0.0432","","","","","","1.061","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113773","24.688","0.002","24.688","0.002","10.0934","0.0009","90","","90","","90","","6151.9","0.9","173.1","","","","","","","","","","","5","I -4","I -4","82","","","","- C29 H31 N3 O6 Ru -","- C29 N3 O6 Ru -","- C232 N24 O48 Ru8 -","8","1","","Katsuaki Kobayashi; Hideki Ohtsu; Tohru Wada; Tatsuhisa Kato; Koji Tanaka","Characterization of a Stable Ruthenium Complex with an Oxyl Radical","Journal of the American Chemical Society","2003","125","","6729","6739","10.1021/ja0211510","","","0.7107","MoKα","","","0.048","","","","0.057","","","","","","0.855","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114165","8.0215","0.0001","8.0215","0.0001","12.2085","0.0002","90","","90","","90","","785.549","0.019","123","2","123","2","","","","","","","","5","I -4","I -4","82","","Tetraethylammoniumchloride Carbon Tetrabromide Molecular Complex 1 : 1","","- C9 H20 Br4 Cl N -","- C9 H20 Br4 Cl N -","- C18 H40 Br8 Cl2 N2 -","2","0.25","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0413","0.0365","","0.0846","0.0825","","","","1.015","1.04","1.04","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114166","8.0992","0.0003","8.0992","0.0003","12.4173","0.0005","90","","90","","90","","814.54","0.05","123","2","123","2","","","","","","","","4","I -4","I -4","82","","Tetraethylammoniumbromide Carbon Tetrabromide Molecular Complex 1 : 1","","- C9 H20 Br5 N -","- C9 H20 Br5 N -","- C18 H40 Br10 N2 -","2","0.25","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0269","0.0261","","0.0645","0.0642","","","","1.171","1.174","1.174","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114167","8.2859","0.0001","8.2859","0.0001","12.9194","0.0001","90","","90","","90","","886.996","0.017","123","2","123","2","","","","","","","","5","I -4","I -4","82","","Tetraethylammoniumiodide Carbon Tetrabromide Molecular Complex 1 : 1","","- C9 H20 Br4 I N -","- C9 H20 Br4 I N -","- C18 H40 Br8 I2 N2 -","2","0.25","","Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi","The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons","Journal of the American Chemical Society","2003","125","","11597","11606","10.1021/ja030299w","","","0.71073","MoKα","","0.0454","0.0414","","0.0972","0.0922","","","","1.26","1.277","1.277","","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114351","15.8213","0.0008","15.8213","0.0008","11.4105","0.0006","90","","90","","90","","2856.2","0.3","153","2","153","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H68 Cl4 Mn4 N4 O8 -","- C52 H68 Cl4 Mn4 N4 O8 -","- C104 H136 Cl8 Mn8 N8 O16 -","2","0.25","","Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans","Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal","Journal of the American Chemical Society","2003","125","","14046","14058","10.1021/ja0367086","","","0.71073","MoKα","","0.0363","0.0333","","","0.0896","0.0918","","","","","","1.045","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114502","23.947","0.006","23.947","0.006","9.953","0.005","90","","90","","90","","5708","4","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H52 Ce Mn8 N0 O40 -","- C24 H36 Ce Mn8 O40 -","- C96 H144 Ce4 Mn32 O160 -","4","0.5","","Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Brian Moulton; Michael J. Zaworotko; George Christou","Template Synthesis and Single-Molecule Magnetism Properties of a Complex with Spin S=16 and a [Mn8O8]8+ Saddle-Like Core","Journal of the American Chemical Society","2003","125","","15274","15275","10.1021/ja0385134","","","0.71073","MoKα","","0.1496","0.0899","","","0.2163","0.245","","","","","","1.033","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4116060","27.004","0.004","27.004","0.004","12.23","0.002","90","","90","","90","","8918","2","20","2","20","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H33.8 Cl6 Co3 N12 -","- C336 H270.4 Cl48 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.56086","AgKα","","0.056","0.0416","","0.0952","0.0903","","","","1.055","1.102","1.102","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116063","27.378","0.002","27.378","0.002","12.318","0.001","90","","90","","90","","9233","1.2","298","2","298","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0439","0.0406","","0.1044","0.1008","","","","1.077","1.071","1.071","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116064","27.2558","0.0008","27.2558","0.0008","12.2451","0.0007","90","","90","","90","","9096.6","0.6","213","2","213","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0405","0.0383","","0.093","0.091","","","","1.136","1.138","1.138","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116065","27.189","0.001","27.189","0.001","12.2293","0.0007","90","","90","","90","","9040.4","0.7","173","2","173","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0395","0.0378","","0.092","0.0902","","","","1.022","1.02","1.02","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116066","27.128","0.001","27.128","0.001","12.2094","0.0009","90","","90","","90","","8985.2","0.8","133","2","133","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 Co3 N12 -","- C42 H34 Cl6.01 Co3 N12 -","- C336 H272 Cl48.08 Co24 N96 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MoKα","","0.0386","0.037","","0.0962","0.0944","","","","1.084","1.081","1.081","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116289","22.72","0.02","22.72","0.02","13.54","0.01","90","","90","","90","","6989","10","153.2","","153.2","","","","","","","","","6","I -4","I -4","82","","","","- C52 H32 Cl4 N8 O12 Re4 -","- C58 H32 Cl4 N8 O14 Re4 -","- C232 H128 Cl16 N32 O56 Re16 -","4","0.5","","Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern; Robert V. Slone; David F. Watson; Thomas G. Carrell","Thin-Film Molecular Materials Based on Tetrametallic ""Squares"": Nanoscale Porosity and Size-Selective Guest Transport Characteristics","Journal of the American Chemical Society","1999","121","","557","563","10.1021/ja9829867","","","0.7107","MoKα","","0.1322","0.0587","","0.0656","0.0595","","","","1.822","2.063","2.063","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116737","14.1","0.002","14.1","0.002","11.614","0.002","90","","90","","90","","2309","0.6","213","2","213","2","","","","","","","","7","I -4","I -4","82","","","","- C48 H48 Cl2 Li2 N8 Nb2 O2 -","- C46 H20 Cl2 Li2 N8 Nb2 O4 -","- C92 H40 Cl4 Li4 N16 Nb4 O8 -","2","0.25","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Triply Bonded Nb24+ Tetragonal Lantern Compounds: Some Accompanied by Novel B-H...Na+ Interactions","Journal of the American Chemical Society","1998","120","","6047","6052","10.1021/ja980092g","","","0.71073","MoKα","","0.0611","0.0517","","0.1386","0.1272","","","","1.147","1.138","1.138","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4117365","8.7348","0.0006","8.7348","0.0006","15.697","0.003","90","","90","","90","","1197.6","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Cs Ga5 Se10 -","- Ba3 Cl2 Cs Ga5 Se10 -","- Ba6 Cl4 Cs2 Ga10 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0242","0.0232","","","0.051","0.0516","","","","","","1.068","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117366","8.6629","0.0004","8.6629","0.0004","15.6379","0.0013","90","","90","","90","","1173.56","0.12","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Ga5 Rb Se10 -","- Ba3 Cl2 Ga5 Rb Se10 -","- Ba6 Cl4 Ga10 Rb2 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0204","0.0194","","","0.0397","0.0399","","","","","","0.983","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117367","8.6341","0.0007","8.6341","0.0007","15.644","0.002","90","","90","","90","","1166.2","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Ga5 K Se10 -","- Ba3 Cl2 Ga5 K Se10 -","- Ba6 Cl4 Ga10 K2 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0275","0.0247","","","0.0442","0.0448","","","","","","0.937","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117604","33.226","0.003","33.226","0.003","5.1868","0.001","90","","90","","90","","5726.1","1.3","153","2","153","2","","","","","","","","3","I -4","I -4","82","","","","- C38 H41 N6 -","- C35 H34 N6 -","- C280 H272 N48 -","8","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0533","0.0445","","","0.1177","0.1229","","","","","","1.075","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4118369","22.788","0.0016","22.788","0.0016","17.154","0.003","90","","90","","90","","8908","1.8","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H24 Co In5 N0 O48 -","- C72 H24 Co In5 O48 -","- C144 H48 Co2 In10 O96 -","2","0.25","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.0886","0.0661","","","0.1566","0.169","","","","","","0.934","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118370","22.7219","0.0003","22.7219","0.0003","17.3033","0.0006","90","","90","","90","","8933.4","0.4","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H24 In5 N0 O48 Zn -","- C72 H24 In5 O48 Zn -","- C144 H48 In10 O96 Zn2 -","2","0.25","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.0558","0.0502","","","0.1255","0.129","","","","","","1","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118894","22.618","0.005","22.618","0.005","8.397","0.005","90","0.005","90","0.005","90","0.005","4296","3","293","2","293","2","","","","","","","","3","I -4","I -4","82","(C5Me5)2Dy(allyl)","","","- C23 H35 Dy -","- C23 H35 Dy -","- C184 H280 Dy8 -","8","1","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71069","MoKα","","0.0147","0.0146","","","0.0362","0.0362","","","","","","1.074","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118896","22.7164","0.0006","22.7164","0.0006","8.3647","0.0003","90","","90","","90","","4316.5","0.2","100","2","100","2","","","","","","","","3","I -4","I -4","82","(C5Me5)2Tb(allyl)","","","- C23 H35 Tb -","- C23 H35 Tb -","- C184 H280 Tb8 -","8","1","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0316","0.0276","","","0.0822","0.0872","","","","","","0.705","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4119399","16.8867","0.0005","16.8867","0.0005","20.1512","0.0006","90","","90","","90","","5746.3","0.3","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C42 H72 Dy2 Si6 -","- C42 H72 Dy2 Si6 -","- C168 H288 Dy8 Si24 -","4","0.5","","Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu","An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet","Journal of the American Chemical Society","2013","135","","3502","3510","10.1021/ja310642h","","","0.71073","MoKα","","0.0395","0.0324","","","0.0827","0.0881","","","","","","1.048","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119400","16.9774","0.0004","16.9774","0.0004","20.0097","0.0006","90","","90","","90","","5767.4","0.3","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C42 H72 Gd2 Si6 -","- C42 H72 Gd2 Si6 -","- C168 H288 Gd8 Si24 -","4","0.5","","Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu","An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet","Journal of the American Chemical Society","2013","135","","3502","3510","10.1021/ja310642h","","","0.71073","MoKα","","0.0263","0.0256","","","0.0755","0.0761","","","","","","1.032","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119689","26.5937","0.0011","26.5937","0.0011","5.1462","0.0002","90","","90","","90","","3639.5","0.3","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H12 N2 O3 Zn -","- C18 H12 N2 O3 Zn -","- C144 H96 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0443","0.0395","","","0.1089","0.1116","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119690","26.5112","0.0009","26.5112","0.0009","5.2351","0.0002","90","","90","","90","","3679.5","0.2","190","2","190","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H11 N2 O3 Zn -","- C18 H11 N2 O3 Zn -","- C144 H88 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0496","0.0439","","","0.125","0.1296","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119691","26.4574","0.0009","26.4574","0.0009","5.2854","0.0002","90","","90","","90","","3699.7","0.2","280","2","280","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H11 N2 O3 Zn -","- C18 H11 N2 O3 Zn -","- C144 H88 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.051","0.0457","","","0.1332","0.1379","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119692","26.4366","0.0009","26.4366","0.0009","5.3287","0.0002","90","","90","","90","","3724.2","0.2","370","2","370","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H11 N2 O3 Zn -","- C18 H11 N2 O3 Zn -","- C144 H88 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0666","0.0589","","","0.1558","0.1609","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119693","26.772","0.002","26.772","0.002","5.0662","0.0004","90","","90","","90","","3631.1","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C19 H15 N2 O4 Zn -","- C19 H15 N2 O4 Zn -","- C152 H120 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0357","0.0338","","","0.0891","0.0905","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119694","26.713","0.004","26.713","0.004","5.0883","0.0008","90","","90","","90","","3630.9","1","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150 (ethanol)","","","- C20 H17 N2 O4 Zn -","- C20 H17 N2 O4 Zn -","- C160 H136 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0551","0.0469","","","0.1129","0.1178","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119695","26.742","0.004","26.742","0.004","5.1504","0.0008","90","","90","","90","","3683.2","1","101","2","101","2","","","","","","","","5","I -4","I -4","82","MOF-150 (n-propanol)","","","- C21 H19 N2 O4 Zn -","- C21 H19 N2 O4 Zn -","- C168 H152 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0393","0.0368","","","0.095","0.0968","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119696","26.1918","0.0019","26.1918","0.0019","5.396","0.0004","90","","90","","90","","3701.7","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150 (iso-propanol)","","","- C21 H19 N2 O4 Zn -","- C21 H19 N2 O4 Zn -","- C168 H152 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0483","0.0453","","","0.1224","0.1238","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4120080","33.479","0.003","33.479","0.003","42.914","0.005","90","","90","","90","","48100","8","90","2","90","2","","","","","","","","5","I -4","I -4","82","","","","- C199.5 H259.5 Cl58.5 N12 O12 -","- C200.15 H258.75 Cl58.2 N12 O12 -","- C1601.2 H2070 Cl465.6 N96 O96 -","8","1","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.1448","0.1282","","","0.3268","0.3497","","","","","","1.529","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120862","17.0734","0.0006","17.0734","0.0006","10.7464","0.0004","90","","90","","90","","3132.59","0.19","100.1","","","","","","","","","","","2","I -4","I -4","82","","","","- C48 H24 -","- C48 H24 -","- C192 H96 -","4","0.5","","Youichi Sakamoto; Toshiyasu Suzuki","Tetrabenzo[8]circulene: Aromatic Saddles from Negatively Curved Graphene","Journal of the American Chemical Society","2013","135","","14074","14077","10.1021/ja407842z","","","0.7107","MoKα","","","0.0743","","","","0.0804","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121865","16.862","0.0004","16.862","0.0004","20.2149","0.0005","90","","90","","90","","5747.6","0.2","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C21 H36 Er Si3 -","- C21 H36 Er Si3 -","- C168 H288 Er8 Si24 -","8","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.0346","0.0277","","","0.063","0.0658","","","","","","1.012","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4122107","16.836","0.003","16.836","0.003","8.201","0.003","90","","90","","90","","2324.6","1","110","2","110","2","","","","","","","","4","I -4","I -4","82","","","","- C48 B F40 Sb -","- C48 B F40 Sb -","- C96 B2 F80 Sb2 -","2","0.25","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0279","0.0259","","","0.0583","0.0598","","","","","","1.015","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4123442","23.239","0.004","23.239","0.004","32.854","0.013","90","","90","","90","","17743","8","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- C108 H76 O32 Zr6 -","- C108 O32 Zr6 -","- C216 O64 Zr12 -","2","0.25","","Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin","Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation.","Journal of the American Chemical Society","2015","137","7","2665","2673","10.1021/ja512478y","","","0.41328","","","0.0975","0.0739","","","0.1802","0.1904","","","","","","1.153","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123673","21.524","0.0002","21.524","0.0002","11.116","0.0002","90","","90","","90","","5149.85","0.11","296","2","296","2","","","","","","","","2","I -4","I -4","82","","","","- Ge4 S8 -","- Ge4 S8 -","- Ge32 S64 -","8","1","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.0976","0.0568","","","0.1557","0.1675","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123717","26.5086","0.0006","26.5086","0.0006","5.1903","0.0003","90","","90","","90","","3647.3","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0956","0.0513","","","0.1018","0.1147","","","","","","0.971","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123718","26.633","0.004","26.633","0.004","5.1305","0.0004","90","","90","","90","","3639.1","0.8","296","2","296","2","190000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0941","0.0855","","","0.2287","0.248","","","","","","1.126","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123719","26.564","0.005","26.564","0.005","5.024","0.0006","90","","90","","90","","3545.2","1","296","2","296","2","520000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1263","0.0949","","","0.2399","0.2663","","","","","","1.217","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123720","26.522","0.003","26.522","0.003","4.9344","0.0015","90","","90","","90","","3470.9","1.2","296","2","296","2","940000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1956","0.1074","","","0.2471","0.3052","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123721","26.684","0.007","26.684","0.007","4.701","0.003","90","","90","","90","","3347","2","296","2","296","2","1040000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.258","0.1154","","","0.288","0.3856","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123722","27.253","0.003","27.253","0.003","4.1475","0.0013","90","","90","","90","","3080.5","1.1","296","2","296","2","1410000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.2374","0.1407","","","0.3466","0.3996","","","","","","1.379","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123723","27.7477","0.0014","27.7477","0.0014","3.7669","0.0005","90","","90","","90","","2900.3","0.4","296","2","296","2","1960000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1569","0.0791","","","0.1877","0.2389","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123724","27.8114","0.0012","27.8114","0.0012","3.6899","0.0004","90","","90","","90","","2854","0.4","296","2","296","2","2400000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1099","0.0695","","","0.172","0.1985","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123725","27.7471","0.0009","27.7471","0.0009","3.6323","0.0003","90","","90","","90","","2796.5","0.3","296","2","296","2","2760000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0944","0.0722","","","0.179","0.1966","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123726","27.7529","0.0012","27.7529","0.0012","3.6022","0.0003","90","","90","","90","","2774.5","0.3","296","2","296","2","3180000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.109","0.071","","","0.1653","0.2004","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123727","27.7069","0.0013","27.7069","0.0013","3.5719","0.0003","90","","90","","90","","2742","0.3","296","2","296","2","3580000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0916","0.0699","","","0.1862","0.2159","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123728","27.6922","0.0013","27.6922","0.0013","3.5492","0.0003","90","","90","","90","","2721.7","0.3","296","2","293","2","3820000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0832","0.0621","","","0.1556","0.1721","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123729","27.6968","0.0014","27.6968","0.0014","3.5351","0.0003","90","","90","","90","","2711.8","0.3","296","2","296","2","4060000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0908","0.0654","","","0.1503","0.1752","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123730","26.5757","0.0009","26.5757","0.0009","5.2077","0.0003","90","","90","","90","","3678","0.3","296","2","296","2","100000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1018","0.0747","","","0.1847","0.2146","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123731","26.4701","0.0013","26.4701","0.0013","5.1884","0.0005","90","","90","","90","","3635.3","0.4","296","2","296","2","340000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1197","0.0682","","","0.1811","0.215","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123732","26.2621","0.0008","26.2621","0.0008","5.1856","0.0003","90","","90","","90","","3576.5","0.3","296","2","296","2","630000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0846","0.0679","","","0.1777","0.1959","","","","","","1.097","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123733","26.152","0.0007","26.152","0.0007","5.1356","0.0003","90","","90","","90","","3512.4","0.2","296","2","296","2","1130000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1113","0.0688","","","0.1653","0.1921","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123734","26.297","0.002","26.297","0.002","4.9766","0.0007","90","","90","","90","","3441.5","0.6","296","2","296","2","1380000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1085","0.066","","","0.1463","0.1733","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123735","26.3388","0.0008","26.3388","0.0008","4.856","0.0004","90","","90","","90","","3368.8","0.3","296","2","296","2","1710000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0885","0.0678","","","0.1733","0.1916","","","","","","1.142","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123736","26.421","0.0011","26.421","0.0011","4.7117","0.0005","90","","90","","90","","3289.1","0.4","296","2","296","2","2300000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1099","0.0727","","","0.192","0.2306","","","","","","1.122","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123737","26.558","0.003","26.558","0.003","4.6212","0.0015","90","","90","","90","","3259.5","1.2","296","2","296","2","2870000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.2485","0.0994","","","0.2414","0.3193","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123738","26.533","0.002","26.533","0.002","4.5396","0.0009","90","","90","","90","","3195.9","0.7","296","2","296","2","3430000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1614","0.0936","","","0.2209","0.2685","","","","","","1.173","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123739","26.528","0.004","26.528","0.004","4.498","0.0016","90","","90","","90","","3165.4","1.3","296","2","296","2","4010000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1987","0.1006","","","0.2413","0.2983","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123740","26.5634","0.0007","26.5634","0.0007","5.1954","0.0002","90","","90","","90","","3665.9","0.2","296","2","296","2","20000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.088","0.0768","","","0.2274","0.2493","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123741","26.5471","0.0012","26.5471","0.0012","5.1352","0.0004","90","","90","","90","","3619","0.4","296","2","296","2","180000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1216","0.0677","","","0.164","0.1955","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123742","26.423","0.003","26.423","0.003","5.0845","0.0013","90","","90","","90","","3549.9","1.1","296","2","296","2","460000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1333","0.0732","","","0.1739","0.2129","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123743","26.262","0.004","26.262","0.004","5.071","0.002","90","","90","","90","","3497.4","1.6","296","2","296","2","680000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.17","0.088","","","0.2441","0.2943","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123744","26.082","0.006","26.082","0.006","5.053","0.002","90","","90","","90","","3437.4","1.8","296","2","296","2","1080000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.4125","0.1571","","","0.3649","0.4974","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123899","22.764","0.0007","22.764","0.0007","20.1397","0.0005","90","","90","","90","","10436.4","0.5","100","","100","","","","","","","","","5","I -4","I -4","82","","","","- C56 H81 N4 P4 Rh -","- C56 H81 N4 P4 Rh -","- C448 H648 N32 P32 Rh8 -","8","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0573","0.0446","","","0.0972","0.1035","","","","","","1.063","","","","has coordinates","140014","2020-10-21","18:00:00",""
"4124005","5.04309","","5.04309","","10.2262","","90","","90","","90","","260.08","","","","","","","","","","","","","3","I -4","I -4","82","","Li N H2","","- H2 Li N -","- H2 Li N -","- H16 Li8 N8 -","8","1","","David, W.I.F.; Jones, M.O.; Gregory, D.H.; Jewell, C.M.; Edwards, P.P.; Johnson, S.R.; Walton, A.","A mechanism for non-stoichiometry in the lithium amide/lithium imide hydrogen storage reaction","Journal of the American Chemical Society","2007","129","","1594","1601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124471","16.587","","16.587","","7.087","","90","","90","","90","","1949.84","","","","","","","","","","","","","4","I -4","I -4","82","","Cs8.087 (Xe O3 Cl2.01)4 Cl0.247","","- Cl8.287 Cs8.087 O12 Xe4 -","- Cl8.287 Cs8.087 O12 Xe4 -","- Cl16.574 Cs16.174 O24 Xe8 -","2","0.25","","Willett, R.D.; Peterson, S.W.; Coyle, B.A.","Structural evidence for xenon-chlorine bonding. Neutron and X-Ray diffraction determinations of the structure of cesium and rubidium trioxodichloroxenate(VI) chloride, Cs9 (Xe O3 Cl2)4 Cl and Rb9 (Xe O3 Cl2)4 Cl","Journal of the American Chemical Society","1977","99","","8202","8207","","","","","","","","","","","","","","","","","","","","","","has coordinates","156248","2020-10-21","18:00:00",""
"4124472","15.97","","15.97","","6.91","","90","","90","","90","","1762.33","","","","","","","","","","","","","4","I -4","I -4","82","","Rb8.213 (Xe O3 Cl1.98)4 Cl0.253","","- Cl8.173 O10.8 Rb8.213 Xe4 -","- Cl8.173 O10.8 Rb8.213 Xe4 -","- Cl16.346 O21.6 Rb16.426 Xe8 -","2","0.25","","Willett, R.D.; Peterson, S.W.; Coyle, B.A.","Structural evidence for xenon-chlorine bonding. Neutron and X-Ray diffraction determinations of the structure of cesium and rubidium trioxodichloroxenate(VI) chloride, Cs9 (Xe O3 Cl2)4 Cl and Rb9 (Xe O3 Cl2)4 Cl","Journal of the American Chemical Society","1977","99","","8202","8207","","","","","","","","","","","","","","","","","","","","","","has coordinates","156249","2020-10-21","18:00:00",""
"4127079","25.27","0.0012","25.27","0.0012","54.323","0.003","90","","90","","90","","34689","3","100","2","100","2","","","","","","","","8","I -4","I -4","82","","","","- C412 H404 Ag76 Mo28 N4 O152 P16 S28 -","- C412 H404 Ag76 Mo28 N4 O152 P16 S28 -","- C824 H808 Ag152 Mo56 N8 O304 P32 S56 -","2","0.25","","Liu, Jia-Wei; Feng, Lei; Su, Hai-Feng; Wang, Zhi; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Anisotropic Assembly of Ag52 and Ag76 Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12777","","","0.71073","MoKα","","0.0337","0.0271","","","0.0632","0.0668","","","","","","1.027","","","","has coordinates,has disorder","205583","2020-10-21","18:00:00",""
"4127827","13.2756","0.0008","13.2756","0.0008","21.077","0.003","90","","90","","90","","3714.6","0.6","107","2","107.43","","","","","","","","","5","I -4","I -4","82","","","","- C66 H152 N16 P4 Tb -","- C66 H152 N16 P4 Tb -","- C132 H304 N32 P8 Tb2 -","2","0.25","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0375","0.0362","","","0.0721","0.073","","","","","","1.052","","","","has coordinates,has disorder","220999","2020-10-21","18:00:00",""
"4130297","25.112","0.007","25.112","0.007","8.489","0.003","90","","90","","90","","5353","3","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C56 H36 N4 O8 -","- C56 H36 N4 O8 -","- C224 H144 N16 O32 -","4","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1078","0.0637","","","0.1556","0.1738","","","","","","1.073","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130634","26.389","0.0006","26.389","0.0006","8.1302","0.0002","90","","90","","90","","5661.7","0.2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C29 H41 N O2 P2 Ru -","- C29 H41 N O2 P2 Ru -","- C232 H328 N8 O16 P16 Ru8 -","8","1","","Xie, Yinjun; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Highly Efficient Process for Production of Biofuel from Ethanol Catalyzed by Ruthenium Pincer Complexes.","Journal of the American Chemical Society","2016","138","29","9077","9080","10.1021/jacs.6b05433","","","0.71073","MoKα","","0.0255","0.0236","","","0.0524","0.0533","","","","","","1.022","","","","has coordinates","241027","2020-10-21","18:00:00",""
"4130897","28.178","0.008","28.178","0.008","8.7335","0.0018","90","","90","","90","","6934","3","80","2","80","2","","","","","","","","5","I -4","I -4","82","","","","- C146 H112 Cl18 N8 O8 -","- C146 H112 Cl18 N8 O8 -","- C292 H224 Cl36 N16 O16 -","2","0.25","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.1072","0.0746","","","0.1733","0.1941","","","","","","1.047","","","","has coordinates,has disorder","241250","2020-10-21","18:00:00",""
"4131700","18.4029","0.0019","18.4029","0.0019","16.434","0.003","90","","90","","90","","5565.6","1.3","110","","110","","","","","","","","","6","I -4","I -4","82","","","","- C108 H144 Ag4 Au4 N8 S4 -","- C108 H144 Ag4 Au4 N8 S4 -","- C216 H288 Ag8 Au8 N16 S8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0214","0.0189","","","0.047","0.0482","","","","","","0.717","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131701","18.437","0.004","18.437","0.004","16.477","0.006","90","","90","","90","","5601","3","110","","110","","","","","","","","","6","I -4","I -4","82","","","","- C108 H144 Ag4 Au4 N8 Se4 -","- C108 H144 Ag4 Au4 N8 Se4 -","- C216 H288 Ag8 Au8 N16 Se8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0372","0.0261","","","0.0394","0.0412","","","","","","0.974","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131702","18.389","0.005","18.389","0.005","16.455","0.004","90","","90","","90","","5564","3","110","2","110","2","","","","","","","","5","I -4","I -4","82","","","","- C108 H144 Au8 N8 S4 -","- C108 H144 Au8 N8 S4 -","- C216 H288 Au16 N16 S8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.056","0.033","","","0.0684","0.0752","","","","","","0.991","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131703","18.451","0.005","18.451","","16.458","0.006","90","","90","","90","","5603","3","110","","110","","","","","","","","","5","I -4","I -4","82","","","","- C108 H144 Au8 N8 Se4 -","- C108 H144 Au8 N8 Se4 -","- C216 H288 Au16 N16 Se8 -","2","0.25","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0301","0.0238","","","0.0437","0.0455","","","","","","1.006","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4132279","17.4658","0.0008","17.4658","0.0008","15.8447","0.0009","90","","90","","90","","4833.5","0.4","295.35","0.1","295.35","0.1","","","","","","","","4","I -4","I -4","82","","","","- C24 H26 N3 O -","- C24 H26 N3 O -","- C192 H208 N24 O8 -","8","1","","Cao, Wei; Wang, Wei David; Xu, Hai-Sen; Sergeyev, Ivan V.; Struppe, Jochem; Wang, Xiaoling; Mentink-Vigier, Frederic; Gan, Zhehong; Xiao, Ming-Xing; Wang, Lu-Yao; Chen, Guo-Peng; Ding, San-Yuan; Bai, Shi; Wang, Wei","Exploring Applications of Covalent Organic Frameworks: Homogeneous Reticulation of Radicals for Dynamic Nuclear Polarization.","Journal of the American Chemical Society","2018","140","22","6969","6977","10.1021/jacs.8b02839","","","0.71073","MoKα","","0.2477","0.1165","","","0.2906","0.3798","","","","","","0.958","","","","has coordinates","242276","2020-10-21","18:00:00",""
"4133575","23.62428","0.00011","23.62428","0.00011","15.31409","0.00013","90","","90","","90","","8546.89","0.09","120","1","120","1","","","","","","","","5","I -4","I -4","82","","","","- C45 H69 Fe N P2 -","- C45 H69 Fe N P2 -","- C360 H552 Fe8 N8 P16 -","8","1","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","1.54184","CuKα","","0.0419","0.0395","","","0.1095","0.1119","","","","","","1.069","","","","has coordinates,has disorder","243331","2020-10-21","18:00:00",""
"4133883","10.8185","0.0003","10.8185","0.0003","6.6735","0.0002","90","","90","","90","","781.07","0.04","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H18 Co F6 P -","- C14 H18 Co F6 P -","- C28 H36 Co2 F12 P2 -","2","0.25","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0211","0.0197","","","0.0495","0.0502","","","","","","1.142","","","","has coordinates,has disorder","246336","2020-10-21","18:00:00",""
"4135569","19.4096","0.0016","19.4096","0.0016","19.5602","0.0019","90","","90","","90","","7369","1.1","150","2","149.67","","","","","","","","","4","I -4","I -4","82","","","","- C34 H60 N2 O6.5 -","- C34 H60 N2 O6.5 -","- C272 H480 N16 O52 -","8","1","","Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry.","Journal of the American Chemical Society","2021","143","2","634","638","10.1021/jacs.0c11482","","","0.71073","MoKα","","0.1764","0.0839","","","0.1921","0.2396","","","","","","0.977","","","","has coordinates,has disorder","261448","2021-02-04","00:36:00",""
"4301232","20.9311","0.0004","20.9311","0.0004","17.3409","0.0006","90","","90","","90","","7597.2","0.3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C108 H191 Fe10 N12 O53 P13 -","- C108 H180 Fe10 N12 O53 P13 -","- C216 H360 Fe20 N24 O106 P26 -","2","0.25","","Ramaswamy Murugavel; Nayanmoni Gogoi; Rodolphe Clérac","Tetra- and Decanuclear Iron(III) Phosphonates: Observance of a Rare P-C Bond Cleavage in a Homogeneous Medium","Inorganic Chemistry","2009","48","","646","651","10.1021/ic8017562","","","0.71073","MoKα","","0.069","0.0433","","","0.0927","0.1002","","","","","","0.938","","","","has coordinates","179050","2020-10-21","18:00:00",""
"4301510","8.988","0.0013","8.988","0.0013","15.49","0.003","90","","90","","90","","1251.3","0.4","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- Ge4 H6 K2 Mn O3 Se10 -","- Ge4 K1.96 Mn O3.04 Se10 -","- Ge8 K3.92 Mn2 O6.08 Se20 -","2","0.25","","Sima Haddadpour; Maike Melullis; Halgard Staesche; C. R. Mariappan; Bernhard Roling; Rodolphe Clérac; Stefanie Dehnen","Inorganic Frameworks from Selenidotetrelate Anions [T2Se6]4-(T = Ge, Sn): Synthesis, Structures, and Ionic Conductivity of [K2(H2O)3][MnGe4Se10] and (NMe4)2[MSn4Se10] (M = Mn, Fe)","Inorganic Chemistry","2009","48","","1689","1698","10.1021/ic802170f","","","0.71073","MoKα","","0.0479","0.0399","","","0.0837","0.0865","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301511","9.8647","0.0014","9.8647","0.0014","15.317","0.003","90","","90","","90","","1490.5","0.4","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C8 H24 Mn N2 Se10 Sn4 -","- C8 H24 Mn N2 Se10 Sn4 -","- C16 H48 Mn2 N4 Se20 Sn8 -","2","0.25","","Sima Haddadpour; Maike Melullis; Halgard Staesche; C. R. Mariappan; Bernhard Roling; Rodolphe Clérac; Stefanie Dehnen","Inorganic Frameworks from Selenidotetrelate Anions [T2Se6]4-(T = Ge, Sn): Synthesis, Structures, and Ionic Conductivity of [K2(H2O)3][MnGe4Se10] and (NMe4)2[MSn4Se10] (M = Mn, Fe)","Inorganic Chemistry","2009","48","","1689","1698","10.1021/ic802170f","","","0.71073","MoKα","","0.0459","0.0335","","","0.0655","0.0674","","","","","","0.847","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301512","9.8785","0.0014","9.8785","0.0014","15.345","0.003","90","","90","","90","","1497.4","0.4","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C8 H24 Fe N2 Se10 Sn4 -","- C8 H24 Fe N2 Se10 Sn4 -","- C16 H48 Fe2 N4 Se20 Sn8 -","2","0.25","","Sima Haddadpour; Maike Melullis; Halgard Staesche; C. R. Mariappan; Bernhard Roling; Rodolphe Clérac; Stefanie Dehnen","Inorganic Frameworks from Selenidotetrelate Anions [T2Se6]4-(T = Ge, Sn): Synthesis, Structures, and Ionic Conductivity of [K2(H2O)3][MnGe4Se10] and (NMe4)2[MSn4Se10] (M = Mn, Fe)","Inorganic Chemistry","2009","48","","1689","1698","10.1021/ic802170f","","","0.71073","MoKα","","0.1018","0.0615","","","0.0567","0.0614","","","","","","1.002","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301736","20.8701","0.0019","20.8701","0.0019","9.6882","0.0017","90","","90","","90","","4219.8","0.9","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C48 H80 Cl4 N12 O24 Pd4 -","- C48 H80 Cl4 N12 O24 Pd4 -","- C96 H160 Cl8 N24 O48 Pd8 -","2","0.25","","Sushobhan Ghosh; Partha Sarathi Mukherjee","Self-Assembled Pd(II) Metallocycles Using an Ambidentate Donor and the Study of Square-Triangle Equilibria","Inorganic Chemistry","2009","48","","2605","2613","10.1021/ic802254f","","","0.71073","MoKα","","0.1377","0.1173","","","0.3057","0.3286","","","","","","1.196","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301775","10.829","0.005","10.829","0.005","13.469","0.007","90","","90","","90","","1579.5","1.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H16 Cu4 N4 S8 -","- C28 H16 Cu4 N4 S8 -","- C56 H32 Cu8 N8 S16 -","2","0.25","","Chengyang Yue; Chunfeng Yan; Rui Feng; Mingyan Wu; Lian Chen; Feilong Jiang; Maochun Hong","A Polynuclear d10-d10 Metal Complex with Unusual Near-Infrared Luminescence and High Thermal Stability","Inorganic Chemistry","2009","48","","2873","2879","10.1021/ic801840g","","","0.71073","MoKα","","0.0242","0.0226","","","0.048","0.0489","","","","","","1.029","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301932","19.8348","0.0002","19.8348","0.0002","5.6594","0.0001","90","","90","","90","","2226.52","0.05","293","2","293","","","","","","","","","4","I -4","I -4","82","","","","- Er4 La Mo36 O52 -","- Er4 La Mo36.004 O52 -","- Er8 La2 Mo72.008 O104 -","2","0.25","","N. Barrier; B. Fontaine; S. Pierrefixe; R. Gautier; P. Gougeon","Synthesis, Crystal and Electronic Structures, and Physical Properties of the Novel Compounds LaR4Mo36O52 (R = Dy, Er, Yb, and Y) Containing Infinite Chains of Trans-Edge-Shared Mo6 Octahedra and Mo2 Pairs and Rectangular Mo4 Clusters with Triple Mo-Mo Bonds","Inorganic Chemistry","2009","48","","3848","3856","10.1021/ic801942d","","","0.71069","MoKα","","0.0399","0.0363","","","0.0916","0.094","","","","","","1.118","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302980","13.754","0.0019","13.754","0.0019","28.029","0.006","90","","90","","90","","5302.3","1.5","298","2","298","2","","","","","","","","6","I -4","I -4","82","","","","- C9 H18 N6.5 Ni5 O10 S6.25 -","- C9 H15 N6.5 Ni5 O10 S6.25 -","- C72 H120 N52 Ni40 O80 S50 -","8","1","","Lanjun Dong; Rudan Huang; Yongge Wei; Wei Chu","A Remarkable Member of the Polyoxometalates: The Eight-Nickel-Capped α-Keggin Polyoxoazonickelate","Inorganic Chemistry","2009","48","","7528","7530","10.1021/ic9012872","","","0.71073","MoKα","","0.1027","0.0552","","","0.1318","0.1542","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303309","27.122","0.004","27.122","0.004","21.761","0.003","90","","90","","90","","16007","4","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C75 H110 N4 O3 U -","- C75 H110 N4 O3 U -","- C600 H880 N32 O24 U8 -","8","1","","Suzanne C. Bart; Frank W. Heinemann; Christian Anthon; Christina Hauser; Karsten Meyer","A New Tripodal Ligand System with Steric and Electronic Modularity for Uranium Coordination Chemistry","Inorganic Chemistry","2009","48","","9419","9426","10.1021/ic9012697","","","0.71073","MoKα","","0.0731","0.0418","","","0.0938","0.1127","","","","","","1.191","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4304692","11.089","0.007","11.089","0.007","8.278","0.006","90","","90","","90","","1017.9","1.2","200","","","","","","","","","","","4","I -4","I -4","82","","","","- Cu F20 Sb2 Xe4 -","- Cu F20 Sb2 Xe4 -","- Cu2 F40 Sb4 Xe8 -","2","0.25","","Zoran Mazej; Evgeny Goreshnik","Synthesis, Raman Spectra and Crystal Structures of [Cu(XeF2)n](SbF6)2 (n= 2,4)","Inorganic Chemistry","2008","47","","4209","4214","10.1021/ic702249u","","","0.71069","MoKα","","","0.0185","","","","0.0397","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304814","12.9808","0.0008","12.9808","0.0008","7.0844","0.0008","90","","90","","90","","1193.73","0.17","173.2","","","","","","","","","","","6","I -4","I -4","82","","","","- C24 H20 Cl Mo P S3 -","- C24 H20 Cl Mo P S3 -","- C48 H40 Cl2 Mo2 P2 S6 -","2","0.25","","Jun-ichi Ito; Yasuhiro Ohki; Masatoshi Iwata; Kazuyuki Tatsumi","Trithio-Chloro Molybdate [MoClS3]-: A Versatile Precursor for Molybdenum Trisulfido Complexes","Inorganic Chemistry","2008","47","","3763","3771","10.1021/ic702397j","","","0.7107","MoKα","","","0.0219","","","","0.0316","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304932","27.567","0.002","27.567","0.002","21.709","0.005","90","","90","","90","","16498","4","173","2","173","2","","","","","","","","4","I -4","I -4","82","","((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))potassium","","- C88 H84 K2 N6 -","- C88 H84 K2 N6 -","- C704 H672 K16 N48 -","8","1","","Hyui Sul Lee; Sven-Oliver Hauber; Denis Vinduš; Mark Niemeyer","Isostructural Potassium and Thallium Salts of Sterically Crowded Triazenes: A Structural and Computational Study","Inorganic Chemistry","2008","47","","4401","4412","10.1021/ic800029z","","","0.71073","MoKα","","0.065","0.0428","","","0.0912","0.0959","","","","","","0.82","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304977","23.947","0.006","23.947","0.006","9.953","0.005","90","","90","","90","","5708","4","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H52 Ce Mn8 N0 O40 -","- C24 H36 Ce Mn8 O40 -","- C96 H144 Ce4 Mn32 O160 -","4","0.5","","Abhudaya Mishra; Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Eleni E. Moushi; Brian Moulton; Michael J. Zaworotko; Khalil A. Abboud; George Christou","Single-Molecule Magnets: A Family of MnIII/CeIV Complexes with a [Mn8CeO8]12+ Core","Inorganic Chemistry","2008","47","","4832","4843","10.1021/ic8001064","","","0.71073","MoKα","","0.1502","0.0898","","","0.2115","0.237","","","","","","1.092","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304978","24.6153","0.0006","24.6153","0.0006","10.12744","0.00018","90","","90","","90","","6136.3","0.2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C32 H64 Ce Mn8 N4 O40 -","- C32 H44 Ce Mn8 N4 O40 -","- C128 H176 Ce4 Mn32 N16 O160 -","4","0.5","","Abhudaya Mishra; Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Eleni E. Moushi; Brian Moulton; Michael J. Zaworotko; Khalil A. Abboud; George Christou","Single-Molecule Magnets: A Family of MnIII/CeIV Complexes with a [Mn8CeO8]12+ Core","Inorganic Chemistry","2008","47","","4832","4843","10.1021/ic8001064","","","0.71073","MoKα","","0.0372","0.0285","","","0.0595","0.0601","","","","","","0.943","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305401","24.5845","0.0013","24.5845","0.0013","12.6638","0.001","90","","90","","90","","7654","0.8","150","2","150","2","","","","","","","","9","I -4","I -4","82","","","","- C66 H75 B1.5 Cl5.5 F6 N4 Ni2 P4 S4 -","- C66 H73 B1.5 Cl5.5 F6 N4 Ni2 P4 S4 -","- C264 H292 B6 Cl22 F24 N16 Ni8 P16 S16 -","4","0.5","","James D. E. T. Wilton-Ely; Dina Solanki; Edward R. Knight; Katherine B. Holt; Amber L. Thompson; Graeme Hogarth","Multimetallic Assemblies Using Piperazine-Based Dithiocarbamate Building Blocks","Inorganic Chemistry","2008","47","","9642","9653","10.1021/ic800398b","","","0.71073","MoKα","","0.1052","0.0793","","","0.1888","0.2026","","","","","","0.984","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4306821","9.9321","0.0013","9.9321","0.0013","15.374","0.003","90","","90","","90","","1516.6","0.4","297","2","297","2","","","","","","","","6","I -4","I -4","82","","","","- C8 H24 Mn N2 Se10 Sn4 -","- C8 H24 Mn N2 Se10 Sn4 -","- C16 H48 Mn2 N4 Se20 Sn8 -","2","0.25","","Konstantina Tsamourtzi; Jung-Hwan Song; Thomas Bakas; Arthur J. Freeman; Pantelis N. Trikalitis; Mercouri G. Kanatzidis","Straightforward Route to the Adamantane Clusters [Sn4Q10]4- (Q = S, Se, Te) and Use in the Assembly of Open-Framework Chalcogenides (Me4N)2M[Sn4Se10] (M = MnII, FeII, CoII, ZnII) Including the First Telluride Member (Me4N)2Mn[Ge4Te10]","Inorganic Chemistry","2008","47","","11920","11929","10.1021/ic801762h","","","0.71073","MoKα","","0.0845","0.0535","","","0.081","0.0926","","","","","","0.987","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4308382","13.3038","0.0011","13.3038","0.0011","15.006","0.002","90","","90","","90","","2655.9","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C40 H84 N4 O8 Zn4 -","- C40 H76 N4 O8 Zn4 -","- C80 H152 N8 O16 Zn8 -","2","0.25","","Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes","Inorganic Chemistry","2005","44","2","359","364","10.1021/ic048830r","","","0.71073","MoKα","","0.0411","0.0394","","","0.1102","0.1121","","","","","","1.004","","","","has coordinates,has disorder","210271","2020-10-21","18:00:00",""
"4308480","42.5605","0.0018","42.5605","0.0018","9.7061","0.0008","90","","90","","90","","17581.6","1.8","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C88 H112 Cl12 O8 P4 Ru2 -","- C68 H64 Cl4 O4 P4 Ru2 -","- C544 H512 Cl32 O32 P32 Ru16 -","8","1","","Meisa S. Khoshbin; Maxim V. Ovchinnikov; Chad A. Mirkin; Lev N. Zakharov; Arnold L. Rheingold","Binuclear Ruthenium Macrocycles Formed via the Weak-Link Approach","Inorganic Chemistry","2005","44","","496","501","10.1021/ic048975y","","","0.71073","MoKα","","0.0766","0.0605","","","0.1338","0.1393","","","","","","0.978","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308558","23.15","0.003","23.15","0.003","8.15","0.0016","90","","90","","90","","4367.8","1.2","297","2","297","2","","","","","","","","6","I -4","I -4","82","","","","- C40 H40 Cl2 Mn N8 O20 -","- C40 H36 Cl2 Mn N8 O20 -","- C160 H144 Cl8 Mn4 N32 O80 -","4","0.5","","Bao-Qing Ma; Hao-Ling Sun; Song Gao","Assembly of Hydrogen Bonded Diamondoid Networks Based on Synthetic Metal-Organic Tetrahedral Nodes","Inorganic Chemistry","2005","44","","837","839","10.1021/ic048648q","","","0.71073","MoKα","","0.0763","0.0662","","","0.1966","0.2062","","","","","","1.075","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308559","23.169","0.003","23.169","0.003","8.2203","0.0016","90","","90","","90","","4412.7","1.2","297","2","297","2","","","","","","","","7","I -4","I -4","82","","","","- C40 H40 Co F12 N8 O12 P2 -","- C40 H32 Co F12 N8 O12 P2 -","- C160 H128 Co4 F48 N32 O48 P8 -","4","0.5","","Bao-Qing Ma; Hao-Ling Sun; Song Gao","Assembly of Hydrogen Bonded Diamondoid Networks Based on Synthetic Metal-Organic Tetrahedral Nodes","Inorganic Chemistry","2005","44","","837","839","10.1021/ic048648q","","","0.71073","MoKα","","0.111","0.0726","","","0.1739","0.1955","","","","","","1.073","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308657","7.7095","0.0002","7.7095","0.0002","4.6714","0.0002","90","","90","","90","","277.651","0.016","293","2","293","2","","","","","","","","4","I -4","I -4","82","Silver mercury vanadate","","","- Ag3 Hg O4 V -","- Ag3 Hg O4 V -","- Ag6 Hg2 O8 V2 -","2","0.25","","Matthias Weil; Ekkehart Tillmanns; Dmitry Yu. Pushcharovsky","Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4","Inorganic Chemistry","2005","44","","1443","1451","10.1021/ic0484912","","","0.71073","MoKα","","0.0464","0.0365","","","0.0808","0.0846","","","","","","1.193","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4309703","17.88","0.005","17.88","0.005","8.254","0.004","90","","90","","90","","2638.8","1.7","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C11 H10 Cl N4 O5 Zn0.5 -","- C11 H10 Cl N4 O5 Zn0.5 -","- C88 H80 Cl8 N32 O40 Zn4 -","8","1","","D. Krishna Kumar; D. Amilan Jose; Amitava Das; Parthasarathi Dastidar","From Diamondoid Network to (4,4) Net: Effect of Ligand Topology on the Supramolecular Structural Diversity","Inorganic Chemistry","2005","44","","6933","6935","10.1021/ic050972d","","","0.71073","MoKα","","0.0545","0.0443","","","0.087","0.0909","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309733","16.898","0.005","16.898","0.005","11.615","0.003","90","","90","","90","","3316.6","1.6","203","2","203","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H20 I4 N4 U -","- C28 H20 I4 N4 U -","- C112 H80 I16 N16 U4 -","4","0.5","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.0608","0.0571","","","0.1429","0.1449","","","","","","1.33","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4310587","18.128","0.005","18.128","0.005","13.048","0.003","90","","90","","90","","4287.9","1.9","110","2","110","2","","","","","","","","5","I -4","I -4","82","Compound1","","","- C36 H18 F54 Mn12 O56 -","- C32 F48 Mn12 O58 -","- C64 F96 Mn24 O116 -","2","0.25","","Hanhua Zhao; Curtis P. Berlinguette; John Bacsa; Andrey V. Prosvirin; Jitendra K. Bera; Shane E. Tichy; Eric J. Schelter; Kim R. Dunbar","Structural Characterization, Magnetic Properties, and Electrospray Mass Spectrometry of Two Jahn-Teller Isomers of the Single-Molecule Magnet Mn~12~O~12~(CF~3~COO)~16~(H~2~O)~4~","Inorganic Chemistry","2004","43","","1359","1369","10.1021/ic030144p","","","0.71073","MoKα","","0.0653","0.053","","","0.1199","0.1268","","","","","","1.025","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310688","21.6448","0.0013","21.6448","0.0013","12.9499","0.0011","90","","90","","90","","6067","0.7","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C76 H92 Cl4 Cu8 N44 O50 -","- C76 H92.08 Cl4 Cu8 N44 O50.02 -","- C152 H184.16 Cl8 Cu16 N88 O100.04 -","2","0.25","","Victoria A. Milway; Virginie Niel; Tareque S. M. Abedin; Zhiqiang Xu; Laurence K. Thompson; Hilde Grove; David O. Miller; Stewart R. Parsons","Octanuclear and Nonanuclear Supramolecular Copper(II) Complexes with Linear ""Tritopic"" Ligands: Structural and Magnetic Studies","Inorganic Chemistry","2004","43","","1874","1884","10.1021/ic030113u","","","0.71073","MoKα","","0.0503","0.0435","","","0.1222","0.1272","","","","","","1.095","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310689","21.2562","0.0008","21.2562","0.0008","12.7583","0.0009","90","","90","","90","","5764.5","0.5","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C84 H88 Cl4 Cu8 N36 O44 -","- C84 H88 Cl4 Cu8 N36 O44 -","- C168 H176 Cl8 Cu16 N72 O88 -","2","0.25","","Victoria A. Milway; Virginie Niel; Tareque S. M. Abedin; Zhiqiang Xu; Laurence K. Thompson; Hilde Grove; David O. Miller; Stewart R. Parsons","Octanuclear and Nonanuclear Supramolecular Copper(II) Complexes with Linear ""Tritopic"" Ligands: Structural and Magnetic Studies","Inorganic Chemistry","2004","43","","1874","1884","10.1021/ic030113u","","","0.71073","MoKα","","0.0753","0.0554","","","0.1374","0.1477","","","","","","1.011","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4311143","18.27","0.0005","18.27","0.0005","26.7525","0.0015","90","","90","","90","","8929.8","0.6","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C126 H118 Cl10 Mn11 N42 O20 -","- C126 H102 Cl10 Mn11 N42 O20 -","- C252 H204 Cl20 Mn22 N84 O40 -","2","0.25","","Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope","Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies","Inorganic Chemistry","2004","43","","3812","3824","10.1021/ic030319v","","","0.71073","MoKα","","0.0711","0.0612","","","0.1842","0.1948","","","","","","1.078","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4312040","18.4441","0.0001","18.4441","0.0001","24.9935","0.0003","90","","90","","90","","8502.41","0.12","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C122 H102 Cl10 Mn9 N58 O56 -","- C122 H102 Cl10 Mn9 N58 O56 -","- C244 H204 Cl20 Mn18 N116 O112 -","2","0.25","","Laurence K. Thompson; Timothy L. Kelly; Louise N. Dawe; Hilde Grove; Martin T. Lemaire; Judith A. K. Howard; Elinor C. Spencer; Craig J. Matthews; Stuart T. Onions; Simon J. Coles; Peter N. Horton; Michael B. Hursthouse; Mark E. Light","Mixed Valence Mn(II)/Mn(III) [3 x 3] Grid Complexes: Structural, Electrochemical, Spectroscopic, and Magnetic Properties","Inorganic Chemistry","2004","43","","7605","7616","10.1021/ic040083a","","","0.71073","MoKα","","0.0681","0.0604","","","0.1684","0.1791","","","","","","1.004","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4315201","12.9771","0.0006","12.9771","0.0006","4.9718","0.0003","90","","90","","90","","837.28","0.07","135","2","135","2","","","","","","","","5","I -4","I -4","82","","","","- C F2 N O2 P -","- C F2 N O2 P -","- C8 F16 N8 O16 P8 -","8","1","","Xiaoqing Zeng; Michael Gerken; Helmut Beckers; Helge Willner","Spectroscopic and Structural Studies of Difluorophosphoryl Azide F2P(O)N3, Difluorophosphoryl Isocyanate F2P(O)NCO, and Difluorophosphoric Acid Anhydride, F2(O)POP(O)F2","Inorganic Chemistry","2010","49","","3002","3010","10.1021/ic902524u","","","0.71073","MoKα","","0.0333","0.0274","","","0.056","0.0574","","","","","","0.877","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4316158","20.83","0.003","20.83","0.003","13.27","0.002","90","","90","","90","","5757.7","1.5","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C96 H156 B Cu5 F4 N16 S8 -","- C96 H156 B Cu5 F4 N16 S8 -","- C192 H312 B2 Cu10 F8 N32 S16 -","2","0.25","","Irene Bassanetti; Marcello Gennari; Luciano Marchiò; Mattia Terenghi; Lisa Elviri","Li+, Cu+, and Ag+ Oligonuclear Structures with the Sterically Demanding Bis(3,5-tertbutylpyrazol-1-yl)dithioacetate Heteroscorpionate Ligand","Inorganic Chemistry","2010","49","","7007","7015","10.1021/ic100886x","","","0.71073","MoKα","","0.0483","0.0377","","","0.0964","0.1034","","","","","","1.007","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4317208","26.7945","0.0018","26.7945","0.0018","14.3185","0.0013","90","","90","","90","","10279.9","1.4","291","2","291","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H48 B20 Ru3 S10 -","- C24 H48 B20 Ru3 S10 -","- C192 H384 B160 Ru24 S80 -","8","1","","Jiurong Hu; Guifeng Liu; Qibai Jiang; Rui Zhang; Wei Huang; Hong Yan","Controlled Assembly of Ruthenium Complexes through ortho-Carborane Dithiolate and Polysulfide Ligands","Inorganic Chemistry","2010","49","","11199","11204","10.1021/ic101817u","","","0.71073","MoKα","","0.0523","0.0437","","","0.0928","0.0946","","","","","","1.061","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317310","19.6629","0.0004","19.6629","0.0004","19.5797","0.0004","90","","90","","90","","7570.1","0.3","173","2","173","2","","","","","","","","7","I -4","I -4","82","","","","- C38 H36 Br2 Cl N3 O6.13 U -","- C38 H36 Br2 Cl N3 O6.125 U -","- C304 H288 Br16 Cl8 N24 O49 U8 -","8","1","","Massimo Cametti; Laura Ilander; Arto Valkonen; Martin Nieger; Maija Nissinen; Elisa Nauha; Kari Rissanen","Non-Centrosymmetric Tetrameric Assemblies of Tetramethylammonium Halides with Uranyl Salophen Complexes in the Solid State","Inorganic Chemistry","2010","49","","11473","11484","10.1021/ic101547r","","","0.71073","MoKα","","0.0382","0.0301","","","0.0557","0.0586","","","","","","1.052","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4317313","18.9226","0.0002","18.9226","0.0002","19.5451","0.0004","90","","90","","90","","6998.41","0.18","173","0.1","173","0.1","","","","","","","synthesis as described","7","I -4","I -4","82","","","","- C36 H36 Cl N3 O6 S U -","- C36 H36 Cl N3 O6 S U -","- C288 H288 Cl8 N24 O48 S8 U8 -","8","1","","Massimo Cametti; Laura Ilander; Arto Valkonen; Martin Nieger; Maija Nissinen; Elisa Nauha; Kari Rissanen","Non-Centrosymmetric Tetrameric Assemblies of Tetramethylammonium Halides with Uranyl Salophen Complexes in the Solid State","Inorganic Chemistry","2010","49","","11473","11484","10.1021/ic101547r","","x-ray","0.71073","MoKα","","0.0368","0.0301","","","0.059","0.061","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317314","18.9641","0.0004","18.9641","0.0004","19.0964","0.0003","90","","90","","90","","6867.8","0.2","123","2","123","2","","","","","","","","7","I -4","I -4","82","","","","- C36 H36 F N3 O6 S U -","- C36 H36 F N3 O6 S U -","- C288 H288 F8 N24 O48 S8 U8 -","8","1","","Massimo Cametti; Laura Ilander; Arto Valkonen; Martin Nieger; Maija Nissinen; Elisa Nauha; Kari Rissanen","Non-Centrosymmetric Tetrameric Assemblies of Tetramethylammonium Halides with Uranyl Salophen Complexes in the Solid State","Inorganic Chemistry","2010","49","","11473","11484","10.1021/ic101547r","","","0.71073","MoKα","","0.0406","0.0323","","","0.0582","0.0605","","","","","","1.026","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4319921","16.071","0.003","16.071","0.003","24.844","0.003","90","","90","","90","","6416.6","1.9","301.2","","301.2","","","","","","","","","7","I -4","I -4","82","","","","- C124 H108 B2 Cu6 F8 P8 Se4 -","- C124 H108 B2 Cu6 F8 P8 Se4 -","- C248 H216 B4 Cu12 F16 P16 Se8 -","2","0.25","","Vivian Wing-Wah Yam; Chi-Ho Lam; Wendy Kit-Mai Fung; Kung-Kai Cheung","Syntheses, Photophysics, and Photochemistry of Trinuclear Copper(I) Thiolate and Hexanuclear Copper(I) Selenolate Complexes: X-ray Crystal Structures of [Cu6(μ-dppm)4(μ3-SePh)4](BF4)2 and [Cu6{μ-(Ph2P)2NH}4(μ3-SePh)4](BF4)2","Inorganic Chemistry","2001","40","","3435","3442","10.1021/ic0012322","","","0.7107","MoKalpha","","","0.0553","","","0.0736","","","","","2.5","2.5","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320243","17.22","0.002","17.22","0.002","14","0.003","90","","90","","90","","4151.4","1.1","133","2","133","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H20 Al F4 P -","- C24 H20 Al F4 P -","- C192 H160 Al8 F32 P8 -","8","1","","Marilena Ferbinteanu; Herbert W. Roesky; Fanica Cimpoesu; Mihail Atanasov; Sinje Köpke; Regine Herbst-Irmer","New Synthetic and Structural Aspects in the Chemistry of Alkylaluminum Fluorides. The Mutual Influence of Hard and Soft Ligands and the Hybridization as Rigorous Structural Criterion#","Inorganic Chemistry","2001","40","","4947","4955","10.1021/ic010131g","","","0.71073","MoKα","","0.0551","0.0397","","","0.0894","0.0972","","","","","","1.023","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00",""
"4320450","17.8024","0.0005","17.8024","0.0005","11.8281","0.0004","90","","90","","90","","3748.6","0.2","173","2","173","2","","","","","","","Changcheng Zhu","7","I -4","I -4","82","","","","- C24 H40 As4 Mo12 N4 Na4 O70 -","- C24 H40 As4 Mo12 N4 Na4 O70 -","- C48 H80 As8 Mo24 N8 Na8 O140 -","2","0.25","","Bret J. S. Johnson; Rick C. Schroden; Changcheng Zhu; Andreas Stein","Synthesis and Characterization of 2D and 3D Structures from Organic Derivatives of Polyoxometalate Clusters: Role of Organic Moiety, Counterion, and Solvent","Inorganic Chemistry","2001","40","","5972","5978","10.1021/ic010045g","","","0.71073","MoKα","","0.0305","0.0288","","","0.0649","0.0668","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320533","26.657","0.006","26.657","","10.304","0.01","90","","90","","90","","7322","7","294","2","294","2","","","","","","","","5","I -4","I -4","82","","trans-dichloro(1,2-etanediolato)bis(2,6- diisopropylphenolato)tungsten(VI)","","- C26 H38 Cl2 O4 W -","- C26 H38 Cl2 O4 W -","- C208 H304 Cl16 O32 W8 -","8","1","","Ari Lehtonen; Reijo Sillanpää","On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]","Inorganic Chemistry","2001","40","","6047","6051","10.1021/ic010583t","","","0.71069","MoKα","","0.1162","0.0521","","","0.1188","0.1385","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320784","28.844","0.003","28.844","0.003","10.575","0.001","90","","90","","90","","8798.1","1.5","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C36 H36 Er N3 O13 P2 -","- C36 H36 Er N3 O13 P2 -","- C288 H288 Er8 N24 O104 P16 -","8","1","","Robert T. Paine; Yun-Chou Tan; Xin-Min Gan","Synthesis and Coordination Chemistry of 2,6-Bis(diphenylphosphinomethyl)phenol P,P'-Dioxides","Inorganic Chemistry","2001","40","","7009","7013","10.1021/ic0107633","","","0.71073","MoKα","","0.093","0.0473","","0.1073","0.0983","","","","1.053","1.39","1.39","","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00",""
"4320997","16.063","0.002","16.063","0.002","8.649","0.002","90","","90","","90","","2231.6","0.6","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C6 H11 N5 O4 Pd -","- C6 H11 N5 O4 Pd -","- C48 H88 N40 O32 Pd8 -","8","1","","Jorge A. R. Navarro; Eva Freisinger; Bernhard Lippert","Self-Assembly of Palladium(II) and Platinum(II) Complexes of 2-Hydroxypyrimidine to Novel Metallacalix[4]arenes. Receptor Properties through Multiple H-Bonding Interactions","Inorganic Chemistry","2000","39","","2301","2305","10.1021/ic991411n","","","0.71073","MoKα","","0.0248","0.0229","","0.0583","0.0572","","","","1.053","1.064","1.064","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4320998","16.053","0.002","16.053","0.002","8.556","0.002","90","","90","","90","","2204.9","0.6","153","2","153","2","","","","","","","","5","I -4","I -4","82","","","","- C6 H11 N5 O4 Pt -","- C6 H11 N5 O4 Pt -","- C48 H88 N40 O32 Pt8 -","8","1","","Jorge A. R. Navarro; Eva Freisinger; Bernhard Lippert","Self-Assembly of Palladium(II) and Platinum(II) Complexes of 2-Hydroxypyrimidine to Novel Metallacalix[4]arenes. Receptor Properties through Multiple H-Bonding Interactions","Inorganic Chemistry","2000","39","","2301","2305","10.1021/ic991411n","","","0.71069","MoKα","","0.0511","0.0297","","0.1723","0.0482","","","","0.962","1.013","1.013","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321396","9.2774","0.0003","9.2774","0.0003","6.1149","0.0002","90","","90","","90","","526.31","0.03","298","2","298","2","","","","","","","D. Columbo / Prof. W. Gladfelter","3","I -4","I -4","82","1","Nitronium Tetranitratogallate","","- Ga N5 O14 -","- Ga N5 O14 -","- Ga2 N10 O28 -","2","0.25","","Daniel G. Colombo; Victor G. Young,; Wayne L. Gladfelter","Crystal Structures of Nitronium Tetranitratogallate and Its Reversible Solid-State Phase Transition Mediated by Nonmerohedral Twinning","Inorganic Chemistry","2000","39","","4621","4624","10.1021/ic0002418","","","0.71073","MoKα","","0.0228","0.0228","","0.057","","0.057","","","1.052","","","1.053","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321528","17.857","0.0006","17.857","0.0006","11.4489","0.0006","90","","90","","90","","3650.7","0.3","203","2","203","2","","","","","","","","4","I -4","I -4","82","","","","- C56 H120 O16 U4 -","- C56 H120 O16 U4 -","- C112 H240 O32 U8 -","2","0.25","","Marianne P. Wilkerson; Carol J. Burns; Harry J. Dewey; Jerod M. Martin; David E. Morris; Robert T. Paine; Brian L. Scott","Basicity of Uranyl Oxo Ligands upon Coordination of Alkoxides","Inorganic Chemistry","2000","39","","5277","5285","10.1021/ic000142u","","","0.71073","MoKα","","0.023","0.0198","","0.0435","0.0421","","","","0.94","0.935","0.935","","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321600","17.262","0.003","17.262","0.003","14.229","0.003","90","","90","","90","","4239.9","1.4","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H20 O4 P Re -","- C24 H20 O4 P Re -","- C192 H160 O32 P8 Re8 -","8","1","","Daniel Neuman; Patrina Paraskevopoulou; Nikos Psaroudakis; Konstantinos Mertis; Richard J. Staples; Pericles Stavropoulos","Structural and Functional Characteristics of Rhenium Clusters Derived from Redox Chemistry of the Triangular [ReIII3(μ-Cl)3] Core Unit","Inorganic Chemistry","2000","39","","5530","5537","10.1021/ic000449t","","","0.71073","MoKα","","0.0611","0.0302","","","0.0604","0.0641","","","","","","1.123","","","","has coordinates,has disorder","179319","2020-10-21","18:00:00",""
"4321773","12.699","0.002","12.699","0.002","16.015","0.004","90","","90","","90","","2582.7","0.9","173","2","173","2","","","","","","","synthesized","5","I -4","I -4","82","","Bis(μ2-bis(dimethylphosphino)methane-P,P')-tetrachloro- -di-molybdenum(II), hexane solvate","","- C13 H35 Cl4 Mo2 P4 -","- C13 H35 Cl4 Mo2 P4 -","- C52 H140 Cl16 Mo8 P16 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero","Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4","Inorganic Chemistry","1999","38","","490","495","10.1021/ic980972w","","","0.71073","MoKα","","0.0496","0.0308","","0.0866","0.0785","","","","1.053","1.102","1.102","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4322047","27.3046","0.0007","27.3046","0.0007","12.2452","0.0002","90","","90","","90","","9129.3","0.4","213","2","213","2","","","","","","","synthesis","5","I -4","I -4","82","","","","- C42 H36 Cl6 N12 Ni3 -","- C42 H34 Cl6 N12 Ni3 -","- C336 H272 Cl48 N96 Ni24 -","8","1","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual; Xiaoping Wang","Further Study of the Linear Trinickel(II) Complex of Dipyridylamide","Inorganic Chemistry","1999","38","","2655","2657","10.1021/ic990006t","","","0.71073","MoKα","","0.0408","0.0392","","0.0996","0.0978","","","","1.073","1.074","1.074","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322321","16.3857","0.0002","16.3857","0.0002","13.7272","0.0002","90","","90","","90","","3685.63","0.08","173","","173","","","","","","","","","5","I -4","I -4","82","","","","- C40 H44 Al Li N8 -","- C40 H44 Al Li N8 -","- C160 H176 Al4 Li4 N32 -","4","0.5","","Karl Hensen; Alexander Lemke; Thorsten Stumpf; Michael Bolte; Holger Fleischer; Colin R. Pulham; Robert O. Gould; Steven Harris","Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-yl)aluminum Complexes","Inorganic Chemistry","1999","38","","4700","4704","10.1021/ic9905695","","","0.71073","MoKα","","0.1265","0.0957","","0.2926","0.2575","0.2926","","","1.071","","","1.071","","","","has coordinates","179326","2020-10-21","18:00:00",""
"4322444","15.262","0.003","15.262","0.003","15.255","0.005","90","","90","","90","","3553.3","1.5","291","","291","","","","","","","","","6","I -4","I -4","82","","","","- C64 H68 Fe4 O8 P2 S8 -","- C64 H68 Fe4 O8 P2 S8 -","- C128 H136 Fe8 O16 P4 S16 -","2","0.25","","Jack Silver; George R. Fern; John R. Miller; Catherine A. McCammon; David J. Evans; G. Jeffery Leigh","Effects of Temperature and Pressure on the Mössbauer Spectra of Models for the [4Fe-4S]^2+^ Clusters of Iron-Sulfur Proteins and the Structure of [PPh~4~]~2~[Fe~4~S~4~(SCH~2~CO~2~C~2~H~5~)~4~]","Inorganic Chemistry","1999","38","","4256","4261","10.1021/ic980157g","","","0.71073","Mo-Kα","","0.05","0.05","","","0.057","","","","","1.422","1.422","","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4323852","12.556","0.002","12.556","0.002","11.826","0.002","90","","90","","90","","1864.4","0.5","293","2","173","","","","","","","","","5","I -4","I -4","82","Cu4(MEPA)4","","","- C32 H44 Cu4 N8 S4 -","- C32 H44 Cu4 N8 S4 -","- C64 H88 Cu8 N16 S8 -","2","0.25","","Andreas F. Stange; Karl Wilhelm Klinkhammer; Wolfgang Kaim","A tetragonal Bisphenoidal Tetracopper(I) Arrangement Supported by a Potentially Tridentate Ligand Containing Thiolate, Secondary Amine, and 2-Pyridine Functions: Hydrogen-Bonded Instead of Cu(I)-Coordinated Pyridine Rings in an S4-Symmetric Compound","Inorganic Chemistry","1996","35","","4087","4089","10.1021/ic951629j","","","0.71069","MoKα","","0.039","0.0367","","0.0953","0.0931","","","","1.034","1.03","1.03","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323907","30.529","0.003","30.529","0.003","13.795","0.003","90","","90","","90","","12857","3","208","2","208","2","","","","","","","","6","I -4","I -4","82","","","","- C63 H78 Mo N9 O9 P3 -","- C63 H57 Mo N9 O9 P3 -","- C504 H456 Mo8 N72 O72 P24 -","8","1","","Philipp Stössel; Hermann A. Mayer; Cäcilia Maichle-Mössmer; Riad Fawzi; Manfred Steimann","The Mo(CO)3 Fragment as an Organometallic Protection Group in the Synthesis of Functionalized Tripodal Phosphine Ligands","Inorganic Chemistry","1996","35","","5860","5867","10.1021/ic9602512","","","1.54056","Cu-Kαlpha","","0.0565","0.0535","","0.1582","0.1532","","","","1.092","1.087","1.087","","","","","has coordinates,has disorder","179342","2020-10-21","18:00:00",""
"4325159","21.7112","0.001","21.7112","0.001","27.959","0.009","90","","90","","90","","13179","4","200","2","200","2","","","","","","","","8","I -4","I -4","82","","","","- C24.5 H27.25 F4.5 N6 O4.06 P0.5 Ru S1.5 -","- C24.5 H25 F4.5 N6 O4.0575 P0.5 Ru S1.5 -","- C392 H400 F72 N96 O64.92 P8 Ru16 S24 -","16","2","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties","Inorganic Chemistry","2011","50","","4764","4771","10.1021/ic102319p","","","0.71075","MoKα","","0.0529","0.0472","","","0.1228","0.1257","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325273","13.0256","0.0018","13.0256","0.0018","13.993","0.003","90","","90","","90","","2374.1","0.7","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C46 H40 Co4 Mn N6 O2 -","- C46 H40 Co4 Mn N6 O2 -","- C92 H80 Co8 Mn2 N12 O4 -","2","0.25","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes","Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates","Inorganic Chemistry","2011","50","","5153","5164","10.1021/ic200464t","","","0.71073","MoKα","","0.1197","0.1015","","","0.2977","0.3156","","","","","","1.328","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325275","19.861","0.003","19.861","0.003","6.9222","0.0014","90","","90","","90","","2730.5","0.8","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C41 H64 N12 O5.25 -","- C41 H64 N12 O5.26 -","- C82 H128 N24 O10.52 -","2","0.25","","Peter Comba; Nina Dovalil; Graeme R. Hanson; Gerald Linti","Synthesis and CuII Coordination Chemistry of a Patellamide Derivative: Consequences of the Change from the Natural Thiazole/Oxazoline to the Artificial Imidazole Heterocycles","Inorganic Chemistry","2011","50","","5165","5174","10.1021/ic2004694","","x-ray","0.71073","MoKα","","0.1452","0.0942","","","0.2646","0.2868","","","","","","0.947","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4326352","14.043","0.0009","14.043","0.0008","9.6569","0.0007","90","","90","","90","","1904.4","0.2","150","1","150","1","","","","","","","","4","I -4","I -4","82","","","","- C36 H48 N8 Sn4 -","- C36 H48 N8 Sn4 -","- C72 H96 N16 Sn8 -","2","0.25","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0276","0.0224","","","0.0427","0.0453","","","","","","1.079","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326422","15.5326","0.0007","15.5326","0.0007","13.9967","0.001","90","","90","","90","","3376.9","0.3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C80 H84 Al Li N8 O5 -","- C76 H76 Al Li N8 O4 -","- C152 H152 Al2 Li2 N16 O8 -","2","0.25","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.0619","0.0465","","","0.1049","0.1112","","","","","","1.032","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4328658","5.4342","0.0001","5.4342","0.0001","10.8496","0.0002","90","","90","","90","","320.394","0.01","293","","293","","","","","","","","","4","I -4","I -4","82","","","","- Cu2 S4 Sn Zn -","- Cu2 S4 Sn Zn -","- Cu4 S8 Sn2 Zn2 -","2","0.25","","L. Choubrac; A. Lafond; C. Guillot-Deudon; Y. Moëlo; S. Jobic","Structure Flexibility of the Cu2ZnSnS4 Absorber in Low-Cost Photovoltaic Cells: From the Stoichiometric to the Copper-Poor Compounds","Inorganic Chemistry","2012","51","","3346","3348","10.1021/ic202569q","","","0.71069","MoKα","","0.0342","0.0336","","","0.0807","0.0809","","","","1.54","1.54","1.53","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4328659","5.4344","0.0001","5.4344","0.0001","10.8337","0.0002","90","","90","","90","","319.948","0.01","293","","293","","","","","","","","","4","I -4","I -4","82","","","","- Cu1.885 S4 Sn Zn1.058 -","- Cu1.884 S4 Sn Zn1.058 -","- Cu3.768 S8 Sn2 Zn2.116 -","2","0.25","","L. Choubrac; A. Lafond; C. Guillot-Deudon; Y. Moëlo; S. Jobic","Structure Flexibility of the Cu2ZnSnS4 Absorber in Low-Cost Photovoltaic Cells: From the Stoichiometric to the Copper-Poor Compounds","Inorganic Chemistry","2012","51","","3346","3348","10.1021/ic202569q","","","0.71069","MoKα","","0.0312","0.0284","","","0.0734","0.0762","","","","1.14","1.14","1.16","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4329335","9.182","0.003","9.182","0.003","7.035","0.002","90","","90","","90","","593.1","0.3","150","2","150","2","","","","","","","","3","I -4","I -4","82","Tetrakis(chlorosilyl)silane","","","- Cl4 H8 Si5 -","- Cl4 H8 Si5 -","- Cl8 H16 Si10 -","2","0.25","","Harald Stueger; Thomas Mitterfellner; Roland Fischer; Christoph Walkner; Matthias Patz; Stephan Wieber","Partial Halogenation of Cyclic and Branched Perhydropentasilanes","Inorganic Chemistry","2012","51","","6173","6179","10.1021/ic300214y","","","0.71073","MoKα","","0.0192","0.0182","","","0.0407","0.0411","","","","","","1.112","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4330559","20.0852","0.0002","20.0852","0.0002","14.8181","0.0002","90","","90","","90","","5977.85","0.12","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H38 Cl3 N6 Rh -","- C28 H38 Cl3 N6 Rh -","- C224 H304 Cl24 N48 Rh8 -","8","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.54178","CuKα","","0.0146","0.0146","","","0.038","0.038","","","","","","1.087","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4331574","20.1978","0.0006","20.1978","0.0006","25.0325","0.0014","90","","90","","90","","10212","0.7","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C111 H72 Ag2 B2 F8 O S12 -","- C111 H72 Ag2 B2 F8 O S12 -","- C444 H288 Ag8 B8 F32 O4 S48 -","4","0.5","","Li, Kunhao; Xu, Zhengtao; Xu, Hanhui; Carroll, Patrick J.; Fettinger, James C.","Three-Dimensional Nets from Star-Shaped Hexakis(arylthio)triphenylene Molecules and Silver(I) Salts","Inorganic Chemistry","2006","45","3","1032","1037","10.1021/ic051135e","","","0.71073","MoKα","","0.0414","0.0396","","","0.1096","0.1124","","","","","","1.14","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331575","20.1972","0.0003","20.1972","0.0003","25.0091","0.0007","90","","90","","90","","10201.9","0.4","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C55 H36 Ag F3 O3 S7 -","- C55 H36 Ag F3 O3 S7 -","- C440 H288 Ag8 F24 O24 S56 -","8","1","","Li, Kunhao; Xu, Zhengtao; Xu, Hanhui; Carroll, Patrick J.; Fettinger, James C.","Three-Dimensional Nets from Star-Shaped Hexakis(arylthio)triphenylene Molecules and Silver(I) Salts","Inorganic Chemistry","2006","45","3","1032","1037","10.1021/ic051135e","","","0.71073","MoKα","","0.0347","0.0337","","","0.0926","0.0942","","","","","","1.081","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331665","21.5248","0.0006","21.5248","0.0006","15.2323","0.0008","90","","90","","90","","7057.4","0.5","173","2","173","2","","","","","","","","4","I -4","I -4","82","","","","- C101 H192 Mn12 O49 -","- C101 H188 Mn12 O49 -","- C202 H376 Mn24 O98 -","2","0.25","","Christos Lampropoulos; Muralee Murugesu; Andrew G. Harter; Wolfgang Wernsdofer; Stephen Hill; Naresh S. Dalal; Arneil P. Reyes; Philip L. Kuhns; Khalil A. Abboud; George Christou","Synthesis, Structure, and Spectroscopic and Magnetic Characterization of [Mn12O12(O2CCH2But)16(MeOH)4].MeOH, a Mn12 Single-Molecule Magnet with True Axial Symmetry","Inorganic Chemistry","2013","52","","258","272","10.1021/ic301764t","","","0.71073","MoKα","","0.0415","0.0364","","","0.1035","0.1058","","","","","","1.073","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4333178","17.2449","0.0007","17.2449","0.0007","24.28","0.002","90","","90","","90","","7220.5","0.7","120","2","120","2","","","","","","","","7","I -4","I -4","82","","","","- C56 H90 Cl4 N4 Nb2 O P4 -","- C60.932 H98.68 Cl4 N4 Nb2 O3.528 P4 -","- C243.728 H394.72 Cl16 N16 Nb8 O14.112 P16 -","4","0.5","","Kilgore, Uriah J.; Yang, Xiaofan; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Activation of Atmospheric Nitrogen and Azobenzene NN Bond Cleavage by a Transient Nb(III) Complex","Inorganic Chemistry","2006","45","26","10712","10721","10.1021/ic061642b","","","0.71073","MoKα","","0.0832","0.0464","","","0.0836","0.0925","","","","","","0.815","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333234","17.4566","0.0006","17.4566","0.0006","9.0567","0.0003","90","","90","","90","","2759.87","0.16","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C10 H10 Cl2 N4 O2 Pt -","- C10 H10 Cl2 N4 O2 Pt -","- C80 H80 Cl16 N32 O16 Pt8 -","8","1","","Bulak, Ece; Leboschka, Markus; Schwederski, Brigitte; Sarper, Orkan; Varnali, Tereza; Fiedler, Jan; Lissner, Falk; Schleid, Thomas; Kaim, Wolfgang","Reversibly reducible cis-dichloroplatinum(II) and cis-dichloropalladium(II) complexes of bis(1-methylimidazol-2-yl)glyoxal.","Inorganic chemistry","2007","46","14","5562","5566","10.1021/ic070185b","","","0.71069","MoKα","","0.0348","0.0312","","","0.0601","0.0617","","","","","","1.059","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333374","28.938","0.0005","28.938","0.0005","8.2392","0.0002","90","","90","","90","","6899.6","0.2","100","2","100","2","","","","","","","","8","I -4","I -4","82","","","","- C27 H39 B K Mo N7 O2 S2 -","- C27 H39 B K Mo N7 O2 S2 -","- C216 H312 B8 K8 Mo8 N56 O16 S16 -","8","1","","Seidel, Wolfram W.; Meel, Matthias J.; Radius, Udo; Schaffrath, Markus; Pape, Tania","On the Prospects of Polynuclear Complexes with Acetylenedithiolate Bridging Units","Inorganic Chemistry","2007","46","23","9616","9629","10.1021/ic7008286","","","1.54178","CuKα","","0.0631","0.0499","","","0.1188","0.1223","","","","","","0.965","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333613","9.6982","0.0008","9.6982","0.0008","4.759","0.0004","90","","90","","90","","447.61","0.06","173","2","173","2","","","","","","","","3","I -4","I -4","82","molybdenum iron phosphide (2.56/0.44/1)","molybdenum iron phosphide (2.56/0.44/1)","","- Fe0.44 Mo2.56 P -","- Fe0.437 Mo2.563 P -","- Fe3.496 Mo20.504 P8 -","8","1","","Anton O. Oliynyk; Yaroslava F. Lomnytska; Mariya V. Dzevenko; Stanislav S. Stoyko; Arthur Mar","Phase Equilibria in the Mo-Fe-P System at 800 ° C and Structure of Ternary Phosphide (Mo1-xFex)3P (0.10 <=x<= 0.15)","Inorganic Chemistry","2013","52","","983","991","10.1021/ic302243p","","","0.71073","MoKα","","0.0193","0.0175","","","0.0354","0.0358","","","","","","1.087","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4334827","6.8063","0.0002","6.8063","0.0002","9.9523","0.0007","90","","90","","90","","461.05","0.04","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- B4 Cs2 Ge O9 -","- B4 Cs2 Ge O9 -","- B8 Cs4 Ge2 O18 -","2","0.25","","Xiang Xu; Chun-Li Hu; Fang Kong; Jian-Han Zhang; Jiang-Gao Mao; Junliang Sun","Cs2GeB4O9: a New Second-Order Nonlinear-Optical Crystal","Inorganic Chemistry","2013","52","","5831","5837","10.1021/ic302774h","","","0.71073","MoKα","","0.0223","0.0223","","","0.044","0.044","","","","","","1.049","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4335763","21.807","0.004","21.807","0.004","6.392","0.003","90","","90","","90","","3039.7","1.6","100","2","105","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H22 Cl Ge N3 -","- C14 H22 Cl Ge N3 -","- C112 H176 Cl8 Ge8 N24 -","8","1","","Christian Maaß; Diego M. Andrada; Ricardo A. Mata; Regine Herbst-Irmer; Dietmar Stalke","Effects of Metal Coordination on the π-System of the 2,5-Bis-{(pyrrolidino)-methyl}-pyrrole Pincer Ligand","Inorganic Chemistry","2013","52","","9539","9548","10.1021/ic401192x","","","0.71073","MoKα","","0.02","0.0176","","","0.0414","0.0422","","","","","","1.043","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4337393","12.943","0.002","12.943","0.002","8.6752","0.0015","90","","90","","90","","1453.3","0.4","180","2","180","2","","","","","","","synthesis as described","6","I -4","I -4","82","","tetrakis(trimethylphosphine)-copper(+1)-1,2-dithiolatoethane -dimethanido-aluminate(+3)","","- C16 H46 Al Cu P4 S2 -","- C16 H46 Al Cu P4 S2 -","- C32 H92 Al2 Cu2 P8 S4 -","2","0.25","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0293","0.0236","","","0.0535","0.0548","","","","","","0.973","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337768","31.4137","0.0006","31.4137","0.0006","10.8904","0.0003","90","","90","","90","","10746.9","0.4","190","2","190.15","","","","","","","","","5","I -4","I -4","82","","","","- C203.4 H231.4 Cu8 N18.2 O45.4 -","- C203.4 H231.4 Cu8 N18.2 O45.4 -","- C406.8 H462.8 Cu16 N36.4 O90.8 -","2","0.25","","Gomila, Antoine; Duval, Sylvain; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Williams, Alan F.","Tetracarboxylate Ligands as New Chelates Supporting Copper(II) Paddlewheel-Like Structures.","Inorganic chemistry","2014","53","5","2683","2691","10.1021/ic403077q","","","1.5418","CuKα","","0.0483","0.0433","","","0.1139","0.1199","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338420","15.7021","0.0006","15.7021","0.0006","19.7468","0.0008","90","","90","","90","","4868.7","0.3","93","","93","","","","","","","","","7","I -4","I -4","82","","","","- C48 H132.1 B8 F32 N28 Ni4 O24.05 -","- C48 H108 B8 F32 N28 Ni4 O24.052 -","- C96 H216 B16 F64 N56 Ni8 O48.104 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.0511","0.0428","","","0.1208","0.1276","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338421","15.8724","0.001","15.8724","0.001","19.8563","0.0013","90","","90","","90","","5002.5","0.6","273","","273","","","","","","","","","7","I -4","I -4","82","","","","- C48 H131.06 B8 F32 N28 Ni4 O23.53 -","- C48 H108 B8.002 F32.008 N28 Ni4 O23.532 -","- C96 H216 B16.004 F64.016 N56 Ni8 O47.064 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.0524","0.0414","","","0.1119","0.1182","","","","","","1.026","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338422","15.8466","0.0005","15.8466","0.0005","19.7686","0.0013","90","","90","","90","","4964.2","0.4","293","","293","","","","","","","","","7","I -4","I -4","82","","","","- C48 H128.99 B8 F32 N28 Ni4 O22.49 -","- C48 H108 B8 F32 N28 Ni4 O22.488 -","- C96 H216 B16 F64 N56 Ni8 O44.976 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.0613","0.0437","","","0.1096","0.1187","","","","","","0.996","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338423","15.7902","0.0006","15.7902","0.0006","19.7382","0.0015","90","","90","","90","","4921.3","0.5","313","","313","","","","","","","","","7","I -4","I -4","82","","","","- C48 H117.44 B8 F32 N28 Ni4 O16.72 -","- C48 H108 B7.998 F31.996 N28 Ni4 O16.728 -","- C96 H216 B15.996 F63.992 N56 Ni8 O33.456 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.075","0.0472","","","0.1164","0.1302","","","","","","0.98","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338424","15.7242","0.0013","15.7242","0.0013","19.8292","0.0017","90","","90","","90","","4902.8","0.7","333","","333","","","","","","","","","7","I -4","I -4","82","","","","- C48 H110.02 B8 F32 N28 Ni4 O13.01 -","- C48 H108 B8 F32 N28 Ni4 O13.008 -","- C96 H216 B16 F64 N56 Ni8 O26.016 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.1","0.0631","","","0.1556","0.1754","","","","","","1.001","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338425","15.7527","0.0006","15.7527","0.0006","19.7785","0.0015","90","","90","","90","","4908","0.5","313","","313","","","","","","","","","7","I -4","I -4","82","","","","- C48 H110.96 B8 F32 N28 Ni4 O13.48 -","- C48 H108 B8 F32 N28 Ni4 O13.472 -","- C96 H216 B16 F64 N56 Ni8 O26.944 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.1084","0.0658","","","0.1673","0.1894","","","","","","0.998","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338426","15.8201","0.0006","15.8201","0.0006","19.8093","0.0014","90","","90","","90","","4957.8","0.4","293","","293","","","","","","","","","7","I -4","I -4","82","","","","- C48 H126.1 B8 F32 N28 Ni4 O21.05 -","- C48 H108 B7.998 F31.992 N28 Ni4 O21.002 -","- C96 H216 B15.996 F63.984 N56 Ni8 O42.004 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.0691","0.0499","","","0.1283","0.1387","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338499","19.6215","0.0001","19.6215","0.0001","12.1711","0.0001","90","","90","","90","","4685.91","0.05","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C20 H21 N2 O6 Ru -","- C20 H21 N2 O6 Ru -","- C160 H168 N16 O48 Ru8 -","8","1","","Ghosh, Prabir; Mondal, Prasenjit; Ray, Ritwika; Das, Ankita; Bag, Sukdev; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Significant Influence of Coligands Toward Varying Coordination Modes of 2,2'-Bipyridine-3,3'-diol in Ruthenium Complexes.","Inorganic chemistry","2014","53","12","6094","6106","10.1021/ic5004676","","","1.5418","CuKα","","0.0209","0.0208","","","0.0578","0.0579","","","","","","1.063","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4339895","19.0853","0.0005","19.0853","0.0005","17.4995","0.0009","90","","90","","90","","6374.2","0.4","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C20 H51 Cl N9 O P3 -","- C20 H51 Cl N9 O P3 -","- C160 H408 Cl8 N72 O8 P24 -","8","1","","Benson, Mark A.; Zacchini, Stefano; Boomishankar, Ramamoorthy; Chan, Yuri; Steiner, Alexander","Alkylation and acylation of cyclotriphosphazenes.","Inorganic chemistry","2007","46","17","7097","7108","10.1021/ic7009463","","","0.71073","MoKα","","0.0368","0.0338","","","0.0841","0.0853","","","","","","1.008","","","","has coordinates,has disorder","179501","2020-10-21","18:00:00",""
"4340430","39.8634","0.0003","39.8634","0.0003","28.1013","0.0006","90","","90","","90","","44655.5","1.1","100","2","100","2","","","","","","","","6","I -4","I -4","82","[Fe(TMP)(2-MeHIm)2][Fe(TMP)(2-MeHIm)]","","","- C259.8 H259.85 Cl1.4 Fe4 N29.88 O0.76 -","- C259.803 H232 Cl1.4 Fe4 N29.88 O0.7605 -","- C2078.42 H1856 Cl11.2 Fe32 N239.04 O6.084 -","8","1","","Hu, Chuanjiang; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Ligand orientation control in low-spin six-coordinate (porphinato)iron(II) species.","Inorganic chemistry","2005","44","12","4346","4358","10.1021/ic050320p","","","0.71073","MoKα","","0.0882","0.0632","","","0.1728","0.1903","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341957","18.9363","0.0012","18.9363","0.0012","8.2997","0.001","90","","90","","90","","2976.1","0.4","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H11 Dy N2 O5 -","- C16 H11 Dy N2 O5 -","- C128 H88 Dy8 N16 O40 -","8","1","","Li, Yan; Yu, Jia-Wen; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","Three Isostructural One-Dimensional Ln(III) Chains with Distorted Cubane Motifs Showing Dual Fluorescence and Slow Magnetic Relaxation/Magnetocaloric Effect.","Inorganic chemistry","2015","54","1","153","160","10.1021/ic501952b","","","0.71073","MoKα","","0.0246","0.0235","","","0.044","0.0445","","","","","","1.05","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341958","18.885","0.007","18.885","0.007","8.222","0.003","90","","90","","90","","2932.3","1.9","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H11 N2 O5 Yb -","- C16 H11 N2 O5 Yb -","- C128 H88 N16 O40 Yb8 -","8","1","","Li, Yan; Yu, Jia-Wen; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","Three Isostructural One-Dimensional Ln(III) Chains with Distorted Cubane Motifs Showing Dual Fluorescence and Slow Magnetic Relaxation/Magnetocaloric Effect.","Inorganic chemistry","2015","54","1","153","160","10.1021/ic501952b","","","0.71073","MoKα","","0.0363","0.0357","","","0.0897","0.0903","","","","","","1.082","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341959","19.0364","0.0014","19.0364","0.0014","8.3437","0.0012","90","","90","","90","","3023.6","0.5","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H11 Gd N2 O5 -","- C16 H11 Gd N2 O5 -","- C128 H88 Gd8 N16 O40 -","8","1","","Li, Yan; Yu, Jia-Wen; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","Three Isostructural One-Dimensional Ln(III) Chains with Distorted Cubane Motifs Showing Dual Fluorescence and Slow Magnetic Relaxation/Magnetocaloric Effect.","Inorganic chemistry","2015","54","1","153","160","10.1021/ic501952b","","","0.71073","MoKα","","0.0132","0.0126","","","0.0274","0.0276","","","","","","1.029","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4342936","12.061","","12.061","","30.83","","90","","90","","90","","4484.77","","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C80 H108 Cl4 N4 O16 P4 Zn4 -","- C80 H108 Cl4 N4 O16 P4 Zn4 -","- C160 H216 Cl8 N8 O32 P8 Zn8 -","2","0.25","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71073","MoKα","","0.0415","0.0364","","","0.0998","0.1147","","","","","","1.074","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4342937","12.102","0.004","12.102","0.005","31.228","0.012","90","0.014","90","0.013","90","0.003","4574","3","150","2","150","2","","","","","","","","7","I -4","I -4","82","","","","- C80 H108 Br4 N4 O16 P4 Zn4 -","- C80 H108 Br4 N4 O16 P4 Zn4 -","- C160 H216 Br8 N8 O32 P8 Zn8 -","2","0.25","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.0578","0.0569","","","0.1561","0.1581","","","","","","0.961","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4342938","12.123","0.002","12.123","0.002","31.467","0.007","90","","90","","90","","4624.6","1.5","150","2","150","2","","","","","","","","7","I -4","I -4","82","","","","- C80 H108 I4 N4 O16 P4 Zn4 -","- C80 H108 I4 N4 O16 P4 Zn4 -","- C160 H216 I8 N8 O32 P8 Zn8 -","2","0.25","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.0423","0.0407","","","0.1156","0.117","","","","","","1.073","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4343737","8","","8","","5.409","","90","","90","","90","","346.176","","","","","","","","","","","","","5","I -4","I -4","82","","Cu N H4 Mo S4","","- Cu H4 Mo N S4 -","- Cu Mo N S4 -","- Cu2 Mo2 N2 S8 -","2","0.25","","Binnie, W.P.; Redman, M.J.; Mallio, W.J.","On the preparation, properties, and structure of cuprous ammonium thiomolybdate","Inorganic Chemistry","1970","9","","1449","1452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344243","15.8132","","15.8132","","11.1114","","90","","90","","90","","2778.49","","","","","","","","","","","","","3","I -4","I -4","82","","((V O4) W8 (V.71 W.29)4 O36 (V O)2 ) (H2 O)20 (N H4)5.3","","- O62 V5.8 W9.188 -","- O62 V5.8 W9.188 -","- O124 V11.6 W18.376 -","2","0.25","","Shivaiah, V.; Hajeebu, S.; Das, S.K.","The first one-dimensional heteropoly tungstovanadate coordination polymer: [(V(V) O4) W(VI)8 M4 O36 (V (IV) O)2]n- (M = 0.71V(IV) + 0.29 W(VI), n=4.68)","Inorganic Chemistry Communications","2002","5","","996","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","161897","2020-10-21","18:00:00",""
"4345174","12.2518","0.0001","12.2518","0.0001","7.2893","0.0002","90","","90","","90","","1094.17","0.03","20","0.1","20","0.1","","","","","","","","5","I -4","I -4","82","tetraphenyl phosphonium uranium hexafluoride","","","- C24 H20 F6 P U -","- C24 H20 F6 P U -","- C48 H40 F12 P2 U2 -","2","0.25","","Gianopoulos, Christopher G.; Zhurov, Vladimir V.; Minasian, Stefan G.; Batista, Enrique R.; Jelsch, Christian; Pinkerton, A. Alan","Bonding in Uranium(V) Hexafluoride Based on the Experimental Electron Density Distribution Measured at 20 K.","Inorganic chemistry","2017","56","4","1775","1778","10.1021/acs.inorgchem.6b02971","","","0.71073","MoKα","","0.0066","0.0066","","","0.0096","0.0096","","","","","","1.038","","","","has coordinates","193433","2020-10-21","18:00:00",""
"4345564","5.455","0.0001","5.455","0.0001","10.8253","0.0003","90","","90","","90","","322.129","0.012","293","","293","","","","","","","","","5","I -4","I -4","82","","","","- Cu1.646 Li0.354 S4 Sn Zn -","- Cu1.647 Li0.353 S4 Sn Zn -","- Cu3.294 Li0.706 S8 Sn2 Zn2 -","2","0.25","","Lafond, A.; Guillot-Deudon, C; Vidal, J.; Paris, M.; La, C.; Jobic, S.","Substitution of Li for Cu in Cu2ZnSnS4: Toward Wide Band Gap Absorbers with Low Cation Disorder for Thin Film Solar Cells.","Inorganic chemistry","2017","56","5","2712","2721","10.1021/acs.inorgchem.6b02865","","x-ray","0.71069","MoKα","","0.0653","0.0541","","","0.1148","0.1185","","","","1.56","1.56","1.54","","","","has coordinates","194694","2020-10-21","18:00:00",""
"4346277","18.4317","0.0004","18.4317","0.0004","19.5866","0.0004","90","","90","","90","","6654.1","0.2","112","","112","","","","","","","","","6","I -4","I -4","82","","","","- C16 H10 Br2 Cu N O4 -","- C16 H10 Br2 Cu N O4 -","- C256 H160 Br32 Cu16 N16 O64 -","16","2","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Structural flexibilities and gas adsorption properties of one-dimensional copper(II) polymers with paddle-wheel units by modification of benzoate ligands.","Inorganic chemistry","2015","54","19","9423","9431","10.1021/acs.inorgchem.5b01168","","","1.54187","CuKα","","","0.099","","","","0.2773","","","","","","1.045","","","","has coordinates","231705","2020-10-21","18:00:00",""
"4346947","8.8263","0.0005","8.8263","0.0005","27.4049","0.0011","90","","90","","90","","2134.94","0.19","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C38 H38 Co F6 N6 O2 P -","- C38 H38 Co F6 N6 O2 P -","- C76 H76 Co2 F12 N12 O4 P2 -","2","0.25","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0982","0.0756","","","0.1843","0.2018","","","","","","1.12","","","","has coordinates","232080","2020-10-21","18:00:00",""
"4347126","20.1962","0.0003","20.1962","0.0003","25.0077","0.0004","90","","90","","90","","10200.3","0.3","133","2","133","2","","","","","","","","6","I -4","I -4","82","","","","- C104 H84 Br8 Fe4 N28 O6 -","- C104 H84 Br8 Fe4 N28 O6 -","- C416 H336 Br32 Fe16 N112 O24 -","4","0.5","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.0271","0.0246","","","0.0526","0.0533","","","","","","1.056","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4349128","23.854","0.002","23.854","0.002","10.4011","0.0018","90","","90","","90","","5918.4","1.2","120","0.1","120","2","","","","","","","","5","I -4","I -4","82","","","","- C31 H41 Mo2 O2 P -","- C31 H41 Mo2 O2 P -","- C248 H328 Mo16 O16 P8 -","8","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo<sub>2</sub>Cp(μ-κ<sup>1</sup>:κ<sup>1</sup>,η<sup>5</sup>-PC<sub>5</sub>H<sub>4</sub>)(CO)<sub>2</sub>(η<sup>6</sup>-HMes*)] with Diazoalkanes and Other Heterocumulenes.","Inorganic chemistry","2016","55","20","10680","10691","10.1021/acs.inorgchem.6b01930","","x-ray","0.71073","MoKα","","0.083","0.0506","","","0.0866","0.0964","","","","","","1.032","","","","has coordinates","233609","2020-10-21","18:00:00",""
"4349444","29.201","0.003","29.201","0.003","11.2474","0.001","90","","90","","90","","9590.6","1.6","108","2","108","","","","","","","","","7","I -4","I -4","82","","","","- C49 H36 Co F12 N6 O P2 -","- C49 H36 Co F12 N6 O P2 -","- C392 H288 Co8 F96 N48 O8 P16 -","8","1","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","x-ray","0.71073","MoKα","","0.1215","0.0918","","","0.1802","0.1942","","","","","","1.059","","","","has coordinates","233992","2020-10-21","18:00:00",""
"4349452","21.043","0.002","21.043","0.002","15.647","0.0014","90","","90","","90","","6928.6","1.1","120","2","120","2","","","","","","","","7","I -4","I -4","82","{(PNCOONaP)Ni(CO)2}4","","","- C116 H160 N4 Na4 Ni4 O16 P8 -","- C116 H160 N4 Na4 Ni4 O16 P8 -","- C232 H320 N8 Na8 Ni8 O32 P16 -","2","0.25","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.0984","0.067","","","0.1477","0.1607","","","","","","1.043","","","","has coordinates","234787","2020-10-21","18:00:00",""
"4350323","35.06","0.02","35.06","0.02","13.255","0.006","90","","90","","90","","16293","15","298","","298","","","","","","","","","6","I -4","I -4","82","","","","- C50 H44 Cl6 Fe4 N12 O11 -","- C50 H38 Cl6 Fe4 N12 O11 -","- C400 H304 Cl48 Fe32 N96 O88 -","8","1","","Stamatatos, Theocharis C.; Boudalis, Athanassios K.; Sanakis, Yiannis; Raptopoulou, Catherine P.","Reactivity and structural and physical studies of tetranuclear iron(III) clusters containing the [Fe4(mu3-O)2]8+ ""butterfly"" core: an FeIII4 cluster with an S = 1 ground state.","Inorganic chemistry","2006","45","18","7372","7381","10.1021/ic0604821","","","0.71073","MoKα","","0.1342","0.0849","","","0.2238","0.2606","","","","","","1.076","","","","has coordinates","239837","2020-10-21","18:00:00",""
"4500064","13.12","0.0019","13.12","0.0019","8.881","0.0018","90","","90","","90","","1528.7","0.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","3","I -4","I -4","82","","","","- C37 H28 O4 -","- C37 H28 O4 -","- C74 H56 O8 -","2","0.25","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.0398","0.036","","","0.0856","0.0873","","","","","","1.045","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500069","12.7089","0.0001","12.7089","0.0001","8.2149","0.0001","90","","90","","90","","1326.84","0.02","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C29 H32 N4 O4 -","- C29 H32 N4 O4 -","- C58 H64 N8 O8 -","2","0.25","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0321","0.0312","","","0.0849","0.0857","","","","","","1.075","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500665","34.693","0.005","34.693","0.005","7.198","0.003","90","","90","","90","","8664","4","100","2","100","2","","","","","","","","3","I -4","I -4","82","1,3,5-tris(4-hydroxybiphenyl)mesitylene","1,3,5-tris(4-hydroxybiphenyl)mesitylene","","- C52 H44 O3 -","- C52 H44 O3 -","- C416 H352 O24 -","8","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1527","0.0934","","","0.2188","0.2513","","","","","","1.062","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4501810","7.7897","0.0003","7.7897","0.0003","14.6052","0.0009","90","","90","","90","","886.24","0.07","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- O5 Sc2 V -","- O5 Sc2 V -","- O50 Sc20 V10 -","10","1.25","","Cong, Hengjiang; Zhang, Huaijin; Yao, Bin; Yu, Wentao; Zhao, Xian; Wang, Jiyang; Zhang, Guangcai","ScVO4: Explorations of Novel Crystalline Inorganic Optical Materials in Rare-Earth Orthovanadate Systems","Crystal Growth & Design","2010","10","10","4389","","10.1021/cg1004962","","","0.71073","MoKα","","0.0243","0.0241","","","0.0585","0.0586","","","","","","0.874","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4503683","12.691","0.002","12.691","0.002","23.216","0.008","90","","90","","90","","3739.2","1.5","294","2","294","2","","","","","","","","6","I -4","I -4","82","","","","- C36 H32 B4 Cd3 F16 N54 -","- C36 H32 B4 Cd3 F16 N54 -","- C72 H64 B8 Cd6 F32 N108 -","2","0.25","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.045","0.044","","","0.1454","0.1463","","","","","","1.113","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503684","12.7471","0.0015","12.7471","0.0015","22.545","0.003","90","","90","","90","","3663.3","0.8","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C10.67 H12 B2 Cd F8 N16 O0.67 -","- C10.6667 H13.3333 B2 Cd F8 N16 O0.666667 -","- C64 H80 B12 Cd6 F48 N96 O4 -","6","0.75","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.0337","0.029","","","0.0818","0.0851","","","","","","1.063","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4505507","13.948","0.005","13.948","0.005","13.771","0.005","90","","90","","90","","2679.1","1.7","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C38 H29 Co N6 O9 -","- C38 H26 Co N6 O9 -","- C76 H52 Co2 N12 O18 -","2","0.25","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.0684","0.0515","","","0.1281","0.135","","","","","","1.002","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505981","18.795","0.012","18.795","0.012","9.1","0.008","90","","90","","90","","3215","4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H14 Cd N4 O5 -","- C14 H14 Cd N4 O5 -","- C112 H112 Cd8 N32 O40 -","8","1","","Li, Dong-Sheng; Zhang, Peng; Zhao, Jun; Fang, Zi-Fan; Du, Miao; Zou, Kun; Mu, Yi-Qiang","Two Unique Entangling CdII-Coordination Frameworks Constructed by Square Cd4-Building Blocks and Auxiliary N,N′-Donor Ligands","Crystal Growth & Design","2012","12","4","1697","","10.1021/cg300036y","","","0.71073","MoKα","","0.0344","0.0332","","","0.0814","0.0827","","","","","","1.048","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4506523","10.729","0.002","10.729","0.002","20.633","0.009","90","","90","","90","","2375.1","1.2","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H72 Br8 N2 Zn -","- C33 H72 Br8 N2 Zn -","- C66 H144 Br16 N4 Zn2 -","2","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0282","0.0235","","","0.0486","0.0497","","","","","","0.98","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506524","10.7332","0.0011","10.7332","0.0011","20.613","0.004","90","","90","","90","","2374.7","0.6","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H72 Br8 Co N2 -","- C33 H72 Br8 Co N2 -","- C66 H144 Br16 Co2 N4 -","2","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0625","0.042","","","0.0796","0.0869","","","","","","0.995","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506525","10.8409","0.0018","10.8409","0.0018","20.596","0.007","90","","90","","90","","2420.5","1","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H72 Br8 Cd N2 -","- C33 H72 Br8 Cd N2 -","- C66 H144 Br16 Cd2 N4 -","2","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0539","0.0402","","","0.0718","0.0751","","","","","","0.954","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4507159","22.2366","0.0002","22.2366","0.0002","18.6742","0.0003","90","","90","","90","","9233.76","0.19","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C12 H19 Cd6 Cl6 N24 O0.5 -","- C12 H18 Cd6 Cl6 N24 O0.5 -","- C96 H144 Cd48 Cl48 N192 O4 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.0792","0.0515","","","0.1205","0.134","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509280","26.4815","0.0011","26.4815","0.0011","13.5552","0.0004","90","","90","","90","","9505.9","0.6","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C30 H34 N20 O22 Re2 U -","- C30 H30 N20 O22 Re2 U -","- C240 H240 N160 O176 Re16 U8 -","8","1","","Thuéry, Pierre","Uranyl Ion Complexes with Cucurbit[5]uril: from Molecular Capsules to Uranyl-Organic Frameworks","Crystal Growth & Design","2009","9","2","1208","1215","10.1021/cg8011603","","","0.71073","MoKα","","0.0686","0.0616","","","0.1658","0.1714","","","","","","1.031","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4510915","20.06","0.003","20.06","0.003","6.423","0.0013","90","","90","","90","","2584.6","0.8","150","2","150","","","","","","","","see text","3","I -4","I -4","82","Orcinol","","","- C7 H8 O2 -","- C7 H8 O2 -","- C112 H128 O32 -","16","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0826","0.0564","","","0.1439","0.2169","","","","","","1.059","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511505","12.493","0.0018","12.493","0.0018","31.885","0.006","90","","90","","90","","4976.5","1.4","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C32 H40 Cu F12 N8 O6 P2 -","- C32 H36 Cu F6 N8 O6 P -","- C128 H144 Cu4 F24 N32 O24 P4 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Interplay of Hydrogen Bonds in Assembling (4,4)-Coordination Networks: Transformations from Open to Interpenetrated Networks via Anion Exchange","Crystal Growth & Design","2006","6","8","1742","","10.1021/cg060216y","","","0.71073","MoKα","","0.0664","0.0492","","","0.1085","0.1316","","","","","","1.114","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4512162","16.8962","0.0008","16.8962","0.0008","7.2119","0.0008","90","","90","","90","","2058.9","0.3","295","2","295","2","","","","","","","","5","I -4","I -4","82","","","","- C45 H40 N4 O12 P4 -","- C45 H40 N4 O12 P4 -","- C90 H80 N8 O24 P8 -","2","0.25","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.1296","0.0577","","","0.0886","0.1164","","","","","","1.007","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512909","27.3816","0.0007","27.3816","0.0007","19.3573","0.0006","90","","90","","90","","14513.2","0.7","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C264 H348 Ag20 N0 O8 -","- C264 H348 Ag20 O8 -","- C528 H696 Ag40 O16 -","2","0.25","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.1113","0.0541","","","0.1173","0.1368","","","","","","0.987","","","","has coordinates","138071","2020-10-21","18:00:00",""
"4513115","25.807","0.0009","25.807","0.0009","20.5657","0.001","90","","90","","90","","13696.8","0.9","150","2","150","2","","","","","","","","3","I -4","I -4","82","","","","- C256 H336 Ag16 -","- C256 H336 Ag16 -","- C512 H672 Ag32 -","2","0.25","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.0912","0.0681","","","0.1889","0.2105","","","","","","1.041","","","","has coordinates,has disorder","137829","2020-10-21","18:00:00",""
"4513239","13.491","0.002","13.491","0.002","6.7026","0.001","90","","90","","90","","1219.9","0.3","200","2","200","2","","","","","","","","3","I -4","I -4","82","4 in manuscript","","","- C32 H20 Si -","- C32 H20 Si -","- C64 H40 Si2 -","2","0.25","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.0588","0.0454","","","0.0836","0.0911","","","","","","1.084","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513551","13.197","0.003","13.197","0.003","7.5613","0.0019","90","","90","","90","","1316.9","0.5","173","2","173","2","","","","","","","","4","I -4","I -4","82","TPPA","","","- C105 H24 O32 P4 -","- C25 H24 O12 P4 -","- C50 H48 O24 P8 -","2","0.25","","Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens","Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry","Crystal Growth & Design","2015","15","10","4925","","10.1021/acs.cgd.5b00811","","","0.71073","MoKα","","0.0504","0.0456","","","0.1017","0.1044","","","","","","1.061","","","","has coordinates","170043","2020-10-21","18:00:00",""
"4513552","17.265","0.002","17.265","0.002","7.181","0.002","90","","90","","90","","2140.5","0.7","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C32 H48 O16 P4 Si -","- C32 H48 O16 P4 Si -","- C64 H96 O32 P8 Si2 -","2","0.25","","Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens","Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry","Crystal Growth & Design","2015","15","10","4925","","10.1021/acs.cgd.5b00811","","","0.71073","MoKα","","0.0683","0.0502","","","0.1032","0.1106","","","","","","1.073","","","","has coordinates","170043","2020-10-21","18:00:00",""
"4515621","19.7094","0.0009","19.7094","0.0009","6.8557","0.0003","90","","90","","90","","2663.2","0.2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 B Cl O3 -","- C12 H16 B Cl O3 -","- C96 H128 B8 Cl8 O24 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0613","0.0519","","","0.1317","0.1392","","","","","","1.038","","","","has coordinates,has disorder","225765","2020-10-21","18:00:00",""
"4516470","20.5052","0.0013","20.5052","0.0013","24.701","0.0016","90","","90","","90","","10385.9","1.1","100","2","100","2","","","","","","","","3","I -4","I -4","82","","","","- N26 O148 U28.25 -","- N26 O148 U28.248 -","- N52 O296 U56.496 -","2","0.25","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.057","0.0457","","","0.1181","0.1254","","","","","","1.065","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516918","17.0064","0.0003","17.0064","0.0003","15.328","0.0003","90","","90","","90","","4433.13","0.14","100","2","100","2","","","","","","","","8","I -4","I -4","82","","(meso-Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate bishydrate","","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C128 H192 Cl8 Hg4 N32 O40 S16 Zn8 -","4","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0578","0.0562","","","0.1381","0.1394","","","","","","1.133","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"5900022","6.1","0.02","6.1","0.02","8.73","0.02","90","","90","","90","","324.84","","","","","","","","","","","","","3","I -4","","82","","Pentaerythritol","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","","Llewellyn, F. J.; Cox, E. G.; Goodwin, T. H.","The crystalline structure of the sugars. Part IV. Pentaerythritol and the hydroxyl bond","Journal of the Chemical Society","1937","","","883","894","10.1039/JR9370000883","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5910177","5.708","","5.708","","10.74","","90","","90","","90","","349.923","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Al2 Hg Se4 -","- Al8 Hg4 Se32 -","- Al8 Hg4 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910237","6.186","","6.186","","12.37","","90","","90","","90","","473.358","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Hg In2 Te4 -","- Hg4 In8 Te32 -","- Hg4 In8 Te32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910251","5.746","","5.746","","10.68","","90","","90","","90","","352.616","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Al2 Cd Se4 -","- Al8 Cd4 Se32 -","- Al8 Cd4 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910254","5.488","","5.488","","10.26","","90","","90","","90","","309.012","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Al2 Hg S4 -","- Al8 Hg4 S32 -","- Al8 Hg4 S32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910274","5.937","","5.937","","11.87","","90","","90","","90","","418.393","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 Te4 Zn -","- Ga8 Te32 Zn4 -","- Ga8 Te32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910275","5.507","","5.507","","10.23","","90","","90","","90","","310.246","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 Hg S4 -","- Ga8 Hg4 S32 -","- Ga8 Hg4 S32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910282","5.714","","5.714","","10.78","","90","","90","","90","","351.965","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 Hg Se4 -","- Ga8 Hg4 Se32 -","- Ga8 Hg4 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910286","6.122","","6.122","","12.24","","90","","90","","90","","458.742","","","","","","","","","","","","","3","I -4","I -4","82","","","","- In2 Te4 Zn -","- In8 Te32 Zn4 -","- In8 Te32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910288","5.763","","5.763","","11.8","","90","","90","","90","","391.904","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Hg In2 Se4 -","- Hg4 In8 Se32 -","- Hg4 In8 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910292","5.273","","5.273","","10.44","","90","","90","","90","","290.279","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 S4 Zn -","- Ga8 S32 Zn4 -","- Ga8 S32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910295","6.093","","6.093","","11.81","","90","","90","","90","","438.442","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 Te4 -","- Cd4 Ga8 Te32 -","- Cd4 Ga8 Te32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910307","6.204","","6.204","","12.4","","90","","90","","90","","477.271","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd In2 Te4 -","- Cd4 In8 Te32 -","- Cd4 In8 Te32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910317","5.564","","5.564","","10.32","","90","","90","","90","","319.488","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Al2 Cd S4 -","- Al8 Cd4 S32 -","- Al8 Cd4 S32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910318","5.496","","5.496","","10.99","","90","","90","","90","","331.964","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 Se4 Zn -","- Ga8 Se32 Zn4 -","- Ga8 Se32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910326","5.71","","5.71","","11.42","","90","","90","","90","","372.339","","","","","","","","","","","","","3","I -4","I -4","82","","","","- In2 Se4 Zn -","- In8 Se32 Zn4 -","- In8 Se32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910336","5.577","","5.577","","10.08","","90","","90","","90","","313.518","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 S4 -","- Cd4 Ga8 S32 -","- Cd4 Ga8 S32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910340","5.742","","5.742","","10.73","","90","","90","","90","","353.774","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 Se4 -","- Cd4 Ga8 Se32 -","- Cd4 Ga8 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7000164","15.866","0.0014","15.866","0.002","12.6","0.0016","90","","90","","90","","3171.8","0.6","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C59 H76 Ga4 O12 Rh6 -","- C59 H76 Ga4 O12 Rh6 -","- C118 H152 Ga8 O24 Rh12 -","2","0.25","","Grachova, Elena V.; Jutzi, Peter; Neumann, Beate; Stammler, Hans-Georg","Novel rhodium and ruthenium carbonyl cluster complexes with face- and edge-bridging GaCp* ligands. Synthesis and structural characterization of the Rh6(CO)12(mu3-GaCp*)4 and Ru6(eta6-C)(mu2-CO)(CO)13(mu3-GaCp*)2(mu2-GaCp*) clusters.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3614","3616","10.1039/b513015h","","","0.71073","MoKα","","0.0284","0.0212","","","0.0384","0.0403","","","","","","1.019","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000213","20.148","0.005","20.148","0.005","15.683","0.005","90","","90","","90","","6366","3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C26 H28 Cl7 N3 O Zn -","- C24 H25 Cl2 N3 O Zn -","- C192 H200 Cl16 N24 O8 Zn8 -","8","1","","Griffith, Gerry A.; Al-Khatib, Mohamed J.; Patel, Kalpana; Singh, Kuldip; Solan, Gregory A.","Solid and solution state flexibility of sterically congested bis(imino)bipyridine complexes of zinc(ii) and nickel(ii)","Dalton Transactions","2009","","1","185","196","10.1039/b811309b","","","0.71073","MoKα","","0.1238","0.0651","","","0.1035","0.119","","","","","","0.809","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7001783","18.107","0.0006","18.107","0.0006","8.508","0.0006","90","","90","","90","","2789.5","0.2","223","2","223","2","","","","","","","","5","I -4","I -4","82","","","","- C60 H43 F20 N5 Pt -","- C60 H43 F20 N5 Pt -","- C120 H86 F40 N10 Pt2 -","2","0.25","","Won, Dong-Hoon; Toganoh, Motoki; Uno, Hidemitsu; Furuta, Hiroyuki","Pt(II) N-confused porphyrin: An expanded pyrrole that affords a stable π-anion","Dalton Transactions","2009","","31","6151","","10.1039/b906018a","","","0.71069","MoKα","","0.0292","0.0292","","","0.0683","0.0683","","","","","","1.099","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7002754","19.7752","0.0008","19.7752","0.0008","8.4849","0.0007","90","","90","","90","","3318.1","0.3","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C48 H60 Cu4 F12 N8 O24 S4 -","- C48 H60 Cu4 F12 N8 O24 S4 -","- C96 H120 Cu8 F24 N16 O48 S8 -","2","0.25","","Arora, Himanshu; Lloret, Francesc; Mukherjee, Rabindranath","Molecular squares of Ni(II) and Cu(II): ferromagnetic exchange interaction mediated by syn-anti carboxylate-bridging.","Dalton transactions (Cambridge, England : 2003)","2009","","44","9759","9769","10.1039/b905463d","","","0.71073","MoKα","","0.0425","0.0369","","","0.0919","0.1128","","","","","","1.06","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7003475","13.2295","0.0003","13.2295","0.0003","6.777","0.0002","90","","90","","90","","1186.11","0.05","293","","293","","","","","","","","","6","I -4","I -4","82","","","","- C48 H40 P2 S8 W2 Zn -","- C48 H40 P2 S8 W2 Zn -","- C48 H40 P2 S8 W2 Zn -","1","0.125","","Crossland, Clare J.; Evans, Ivana Radosavljević; Evans, John S. O.","Structural chemistry of (PPh4)2M(WS4)2 materials","Dalton Transactions","2008","","12","1597","1601","10.1039/b716407f","","","0.71073","MoKα","","0.0192","0.0177","","0.0402","0.0396","0.0396","","","","","","0.727","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003476","18.723","0.004","18.723","0.004","13.563","0.004","90","","90","","90","","4755","2","293","","293","","","","","","","","","6","I -4","I -4","82","","","","- C192 H160 P8 S32 W8 Zn4 -","- C192 H160 P8 S32 W8 Zn4 -","- C192 H160 P8 S32 W8 Zn4 -","1","0.125","","Crossland, Clare J.; Evans, Ivana Radosavljević; Evans, John S. O.","Structural chemistry of (PPh4)2M(WS4)2 materials","Dalton Transactions","2008","","12","1597","1601","10.1039/b716407f","","","0.71073","MoKα","","0.1721","0.0497","","0.1284","0.0594","0.0594","","","","","","1.0271","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7004235","18.1709","0.0011","18.1709","0.0011","15.2964","0.001","90","","90","","90","","5050.6","0.5","150","2","150","2","","","","","","","","7","I -4","I -4","82","","","","- C116 H96 Cu4 Fe4 O4 P4 Se4 -","- C116 H96 Cu4 Fe4 O4 P4 Se4 -","- C232 H192 Cu8 Fe8 O8 P8 Se8 -","2","0.25","","MacDonald, Daniel G.; Corrigan, John F.","New reagents for the synthesis of a series of ferrocenoyl functionalized copper and silver chalcogenolate complexes","Dalton Transactions","2008","","37","5048","5053","10.1039/b804597f","","","0.71073","MoKα","","0.1053","0.0657","","","0.1141","0.1264","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7004236","18.5033","0.0008","18.5033","0.0008","15.5266","0.0008","90","","90","","90","","5315.9","0.4","296","2","296","2","","","","","","","","7","I -4","I -4","82","","","","- C116 H96 Ag4 Fe4 O4 P4 Se4 -","- C116 H96 Ag4 Fe4 O4 P4 Se4 -","- C232 H192 Ag8 Fe8 O8 P8 Se8 -","2","0.25","","MacDonald, Daniel G.; Corrigan, John F.","New reagents for the synthesis of a series of ferrocenoyl functionalized copper and silver chalcogenolate complexes","Dalton Transactions","2008","","37","5048","5053","10.1039/b804597f","","","0.71073","MoKα","","0.1499","0.0397","","","0.0707","0.0916","","","","","","0.854","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7004393","20.5807","0.0008","20.5807","0.0008","20.3647","0.0009","90","","90","","90","","8625.8","0.6","173","2","173","2","","","","","","","synthesis as described","4","I -4","I -4","82","","","","- C36 H54 N12 Zn3 -","- C36 H54 N12 Zn3 -","- C288 H432 N96 Zn24 -","8","1","","Khalaf, Majid S.; Coles, Martyn P.; Hitchcock, Peter B.","A structural, theoretical and coordinative evaluation of the bicyclic guanidinate derived from 1,4,6-triazabicyclo[3.3.0]oct-4-ene","Dalton Transactions","2008","","32","4288","4295","10.1039/b806510a","","x-ray","0.71073","MoKα","","0.1007","0.0652","","","0.1513","0.1686","","","","","","1.055","","","","has coordinates,has disorder","179747","2020-10-21","18:00:00",""
"7004564","26.9308","0.0016","26.9308","0.0016","11.4732","0.0015","90","","90","","90","","8321.1","1.3","100","0.2","100","0.2","","","","","","","synthesis as described","5","I -4","I -4","82","","","","- C64 H64 N16 O16 Pb4 -","- C64 H64 N16 O16 Pb4 -","- C256 H256 N64 O64 Pb16 -","4","0.5","","Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Platas-Iglesias, Carlos; de Blas, Andrés; Rodríguez-Blas, Teresa","Zn(ii), Cd(ii) and Pb(ii) complexation with pyridinecarboxylate containing ligands","Dalton Transactions","2008","","42","5754","5765","10.1039/b808631a","","x-ray","0.71073","MoKα","","0.0694","0.0522","","","0.1187","0.1255","","","","","","0.997","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7005016","16.152","0.003","16.152","0.003","17.855","0.008","90","","90","","90","","4658","2","168","2","168","2","","","","","","","","7","I -4","I -4","82","","","","- C80 H76 B4 Cu4 F16 N24 O8 -","- C54 H44 Cu4 N20 O8 -","- C108 H88 Cu8 N40 O16 -","2","0.25","","Klingele, Julia; Boas, John F.; Pilbrow, John R.; Moubaraki, Boujemaa; Murray, Keith S.; Berry, Kevin J.; Hunter, Keith A.; Jameson, Geoffrey B.; Boyd, Peter D. W.; Brooker, Sally","A [2 x 2] nickel(ii) grid and a copper(ii) square result from differing binding modes of a pyrazine-based diamide ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","6","633","645","10.1039/b614796h","","","0.71073","MoKα","","0.1252","0.0613","","","0.1286","0.1479","","","","","","0.859","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7007827","13.33","0.002","13.33","0.002","15.083","0.003","90","","90","","90","","2680.1","0.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H60 O32 P4 Re4 Th -","- C24 H60 O32 P4 Re4 Th -","- C48 H120 O64 P8 Re8 Th2 -","2","0.25","","Sutton, Andrew D.; May, Iain; Sharrad, Clint A.; Sarsfield, Mark J.; Helliwell, Madeleine","The coordination of perrhenate and pertechnetate to thorium(IV) in the presence of phosphine oxide or phosphate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5734","5742","10.1039/b611046k","","","0.71073","MoKα","","0.0589","0.0585","","","0.1318","0.132","","","","","","1.168","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7009218","20.936","0.003","20.936","0.003","8.8426","0.0018","90","","90","","90","","3875.9","1.1","200","1","200","1","","","","","","","","6","I -4","I -4","82","","","","- C15 H21 Bi Cl2 Fe O2 -","- C15 H21 Bi Cl2 Fe O2 -","- C120 H168 Bi8 Cl16 Fe8 O16 -","8","1","","Gröer, Thomas; Scheer, Manfred","Structure and reactivity of transition metal substituted dichloroantimony and dichlorobismuth complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","5","647","","10.1039/a909394j","","","0.71073","MoKα","","0.0383","0.0306","","","0.0648","0.0666","","","","","","0.958","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7011541","27.98","0.009","27.98","0.009","8.878","0.004","90","","90","","90","","6950","4","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C29.2 H42 N6 O9.8 Zn -","- C29.2 H42 N6 O9.8 Zn -","- C233.6 H336 N48 O78.4 Zn8 -","8","1","","Fenton, Ronald R.; Gauci, Robert; Junk, Peter C.; Lindoy, Leonard F.; Luckay, Robert C.; Meehan, George V.; Price, Jason R.; Turner, Peter; Wei, Gang","Macrocyclic ligand design. Structure‒function relationships involving the interaction of pyridinyl-containing, mixed oxygen‒nitrogen donor macrocycles with cobalt(ii), nickel(ii), copper(ii), zinc(ii), cadmium(ii), silver(i) and lead(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","10","2185","","10.1039/b201195f","","","0.71073","MoKα","","0.0403","0.0378","","","0.1015","0.1027","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011993","20.4806","0.0014","20.4806","0.0014","5.7429","0.0006","90","","90","","90","","2408.9","0.3","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- C56 H56 P4 Si -","- C56 H56 P4 Si -","- C112 H112 P8 Si2 -","2","0.25","","Ropartz, Loïc; Haxton, Katherine J.; Foster, Douglas F.; Morris, Russell E.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J.","Phosphine containing dendrimers for highly regioselective rhodium catalysed hydroformylation of alkenes: a positive 'dendritic effect'","Journal of the Chemical Society, Dalton Transactions","2002","","23","4323","","10.1039/b206597e","","","0.71073","MoKα","","0.0951","0.0453","","","0.0512","0.0599","","","","","","0.821","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7012392","9.568","0.004","9.568","0.004","6.726","0.003","90","","90","","90","","615.7","0.5","200","1","200","1","","","","","","","","3","I -4","I -4","82","","","","- As4 Cs F13 -","- As4 Cs F13 -","- As8 Cs2 F26 -","2","0.25","","Klampfer, Peter; Benkič, Primož; Volavšek, Bogdan; Jesih, Adolf","Alkali-metal fluoroarsenates(iii) revisited; the As4F13‒ anion, the crystal structure of CsAs4F13 and Raman spectra of MAs4F13 (M = Cs, Rb)","Dalton Transactions","2003","","2","163","","10.1039/b210507a","","","0.71069","MoKα","","0.0378","0.0363","","","0.0683","0.0686","","","","","","0.992","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7014657","27.589","0.0007","27.589","0.0007","13.7636","0.0006","90","","90","","90","","10476.2","0.6","186","2","186","2","","","","","","","","6","I -4","I -4","82","","","","- C53 H42 Cu N3 O2 P2 -","- C53 H41 Cu N3 O2 P2 -","- C424 H328 Cu8 N24 O16 P16 -","8","1","","Min, Junhui; Zhang, Qisheng; Sun, Wei; Cheng, Yanxiang; Wang, Lixiang","Neutral copper(I) phosphorescent complexes from their ionic counterparts with 2-(2'-quinolyl)benzimidazole and phosphine mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","686","693","10.1039/c0dt01031f","","","0.71073","MoKα","","0.0898","0.0684","","","0.178","0.1919","","","","","","1.059","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7015747","18.517","0.0004","18.517","0.0004","11.0066","0.0003","90","","90","","90","","3773.94","0.15","158","2","158","2","","","","","","","","7","I -4","I -4","82","","","","- C44 H58 Cu4 F12 N20 O25 S4 -","- C44 H52 Cu4 F12 N20 O25 S4 -","- C88 H104 Cu8 F24 N40 O50 S8 -","2","0.25","","Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.","Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4623","4635","10.1039/c1dt10047e","","","0.71075","MoKα","","0.0357","0.0353","","","0.1024","0.1027","","","","","","1.089","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7016284","14.263","0.002","14.263","0.002","21.02","0.004","90","","90","","90","","4276.2","1.2","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C16 H66 Mo12 N11 Na O61 P8 -","- C16 H36 Mo12 N11 Na2 O61 P8 -","- C32 H72 Mo24 N22 Na4 O122 P16 -","2","0.25","","Tan, Huaqiao; Chen, Weilin; Liu, Ding; Feng, Xiaojia; Li, Yangguang; Yan, Aixue; Wang, Enbo","Two diphosphonate-functionalized asymmetric polyoxomolybdates with catalytic activity for oxidation of benzyl alcohol to benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8414","8418","10.1039/c0dt01729a","","","0.71073","MoKα","","0.056","0.0483","","","0.1383","0.1443","","","","","","1.057","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016671","34.473","0.0005","34.473","0.0005","13.5221","0.0003","90","","90","","90","","16069.5","0.5","150","1","150","1","","","","","","","","6","I -4","I -4","82","","","","- C46 H38.5 Cl Co N4.5 O6 -","- C46 H38.5 Cl Co N4.5 O6 -","- C736 H616 Cl16 Co16 N72 O96 -","16","2","","Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M.","Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10609","10620","10.1039/c1dt10587f","","","0.71073","MoKα","","0.1206","0.0638","","","0.1236","0.1558","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019128","26.8014","0.0014","26.8014","0.0014","10.1004","0.0006","90","","90","","90","","7255.3","0.7","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C88 H72 Mo2 N4 S4 -","- C88 H72 Mo2 N4 S4 -","- C352 H288 Mo8 N16 S16 -","4","0.5","","Hicks, Jamie; Ring, Sam P.; Patmore, Nathan J.","Tuning the electronic structure of Mo-Mo quadruple bonds by N for O for S substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6641","6650","10.1039/c2dt30234a","","","0.71073","MoKα","","0.0908","0.0556","","","0.1276","0.1479","","","","","","1.068","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019796","15.27","0.003","15.27","0.003","18.496","0.004","90","","90","","90","","4312.8","1.5","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C44 H78 Mo12 N9 O52 P Zn4 -","- C28 H24 Mo12 N8 O41 P Zn4 -","- C56 H48 Mo24 N16 O82 P2 Zn8 -","2","0.25","","Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne","ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9989","9999","10.1039/c2dt30537b","","","0.71073","MoKα","","0.0969","0.0615","","","0.1474","0.1568","","","","","","0.957","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7020670","22.1438","0.0008","22.1438","0.0008","6.708","0.0003","90","","90","","90","","3289.3","0.2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C14 H8 Cl2 N2 O4 Rh2 -","- C14 H8 Cl2 N2 O4 Rh2 -","- C112 H64 Cl16 N16 O32 Rh16 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Hassinen, Jorma; Hirva, Pipsa; Haukka, Matti","Neutral one-dimensional metal chains consisting of alternating anionic and cationic rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","395","398","10.1039/c2dt31671d","","","0.71073","MoKα","","0.029","0.0247","","","0.0507","0.0522","","","","","","1.042","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020748","13.734","0.0009","13.734","0.0009","28.56","0.004","90","","90","","90","","5387.1","0.9","273","2","273","2","","","","","","","","6","I -4","I -4","82","","","","- C3 H7 Co1.67 N2.17 O3.5 S2.08 -","- C3 H5 Co1.66667 N2.16667 O3.5 S2.08333 -","- C72 H120 Co40 N52 O84 S50 -","24","3","","Dong, Lanjun; Li, Xiaofang; Cao, Jie; Chu, Wei; Huang, Rudan","An α-Keggin polyoxometalate completely constructed from the late transition metal Co(II) as poly atom.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1342","1345","10.1039/c2dt31896b","","","0.71073","MoKα","","0.2073","0.0518","","","0.0744","0.1053","","","","","","0.808","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021083","17.7242","0.0012","17.7242","0.0012","12.6228","0.0016","90","","90","","90","","3965.4","0.6","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C34 H36 Cl4 F32 Mn12 O52 -","- C32 H16 F32 Mn12 O52 -","- C64 H32 F64 Mn24 O104 -","2","0.25","","Hoshino, Norihisa; Shiga, Takuya; Oshio, Hiroki; Akutagawa, Tomoyuki","Single molecule magnets with m-fluorobenzoate and difluoromethylacetate as polar ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4377","4385","10.1039/c2dt32498a","","","0.71073","MoKα","","0.0331","0.0324","","","0.0872","0.0877","","","","","","1.06","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021128","24.122","0.004","24.122","0.004","18.253","0.003","90","","90","","90","","10621","3","93","2","93","2","","","","","","","","6","I -4","I -4","82","","","","- C48 H57 Cl2 N2 P Pd -","- C48 H57 Cl2 N2 P Pd -","- C384 H456 Cl16 N16 P8 Pd8 -","8","1","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.0652","0.0541","","","0.1571","0.1662","","","","","","1.085","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021371","22.585","0.002","22.585","0.002","16.175","0.0018","90","","90","","90","","8250.6","1.4","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C38.75 H49 Cl6 N O2 Ti -","- C38.75 H49 Cl6 N O2 Ti -","- C310 H392 Cl48 N8 O16 Ti8 -","8","1","","Suttil, James A.; Shaw, Miranda F.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Synthesis of Ti(iv) complexes of donor-functionalised phenoxy-imine tridentates and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9129","9138","10.1039/c3dt32465f","","","0.71073","Synchrotron","","0.0528","0.0433","","","0.1064","0.1127","","","","","","1.058","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021711","22.414","0.0011","22.414","0.0011","10.7778","0.0005","90","","90","","90","","5414.6","0.5","150","","150","","","","","","","","","5","I -4","I -4","82","","","","- C24 H20 Cl6 N2 Te -","- C24 H20 Cl6 N2 Te -","- C192 H160 Cl48 N16 Te8 -","8","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.0371","0.0318","","","0.0836","0.0852","","","","","","1.013","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7022924","19.8932","0.0007","19.8932","0.0007","6.6091","0.0002","90","","90","","90","","2615.48","0.15","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C44 H72 O4 Si8 -","- C44 H72 O4 Si8 -","- C88 H144 O8 Si16 -","2","0.25","","Shankar, Ravi; Chaudhary, Manchal; Molloy, Kieran C.; Kociok-Köhn, Gabriele","New cyclotetrasiloxanes bearing sila-alkyl substituted side chains and their applications as templates for gold nanowires.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7768","7774","10.1039/c3dt50284h","","","0.71073","MoKα","","0.0657","0.0575","","","0.1435","0.1505","","","","","","1.065","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7025035","10.1374","0.0009","10.1374","0.0009","24.286","0.004","90","","90","","90","","2495.8","0.5","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C20 H24 B Li N8 O4 -","- C20 H24 B Li N8 O4 -","- C80 H96 B4 Li4 N32 O16 -","4","0.5","","Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui","Hydrogen-bonded boron imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1702","1704","10.1039/b924633a","","","0.71073","MoKα","","0.0663","0.051","","","0.1397","0.1528","","","","","","1.143","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025818","28.7585","0.0006","28.7585","0.0006","9.227","0.0002","90","","90","","90","","7631.2","0.3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C42.25 H33.5 Cl2.5 O4 P2 Rh2 -","- C42.25 H33.5 Cl2.5 O4 P2 Rh2 -","- C338 H268 Cl20 O32 P16 Rh16 -","8","1","","López-Valbuena, Josep M; Escudero-Adan, Eduardo C; Benet-Buchholz, Jordi; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","An approach to bimetallic catalysts by ligand design.","Dalton transactions (Cambridge, England : 2003)","2010","39","36","8560","8574","10.1039/c0dt00011f","","","0.71073","MoKα","","0.0539","0.0411","","","0.0921","0.0989","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7027523","10.493","0.0008","10.493","0.0008","13.3402","0.0011","90","","90","","90","","1468.8","0.2","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C24 H28 Cu F6 Fe2 P S4 -","- C24 H28 Cu F6 Fe2 P S4 -","- C48 H56 Cu2 F12 Fe4 P2 S8 -","2","0.25","","Long, Nicholas J.; Martin, Jeff; Opromolla, Giuliana; White, Andrew J. P.; Williams, David J.; Zanello, Piero","Synthesis and characterisation of 1-(diphenylphosphino)-1′-(methylsulfanyl)ferrocene and a series of metal (CuI, AgI)‒ferrocenylene complexes","Journal of the Chemical Society, Dalton Transactions","1999","","12","1981","","10.1039/a903539g","","","0.71073","MoKα","","0.0394","0.0307","","0.7055","0.0781","","","","1.053","1.084","1.084","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7027560","18.761","0.004","18.761","0.004","7.524","0.004","90","","90","","90","","2648.3","1.6","153","2","153","2","","","","","","","","6","I -4","I -4","82","","","","- C6 H11 Cl Cu N3 O10.5 -","- C6 H6 Cl Cu N3 O10.5 -","- C48 H48 Cl8 Cu8 N24 O84 -","8","1","","Colacio, Enrique; López-Magaña, Carlos; McKee, Vickie; Romerosa, Antonio","Novel square-planar cyclic tetranuclear copper(II) complex containing oximate bridges. Synthesis, crystal structure and magnetic properties of tetrakis[diaqua(μ-1,3-dimethylviolurato)copper(II)] tetraperchlorate dihydrate","Journal of the Chemical Society, Dalton Transactions","1999","","17","2923","","10.1039/a904012i","","","0.71073","MoKα","","0.0911","0.0784","","","0.1633","0.1721","","","","","","1.095","","","","has coordinates,has disorder","288183","2023-12-08","14:43:00",""
"7027971","10.512","0.002","10.5119","","15.66","0.002","90","","90","","90","","1730.4","0.4","193","","193","","","","","","","","","6","I -4","I -4","82","","","","- C24 H40 Cl4 N4 O8 Rh4 -","- C24 H24 Cl4 N4 O8 Rh4 -","- C48 H48 Cl8 N8 O16 Rh8 -","2","0.25","","Yang, Zhiyong; Oki, Hiroki; Ebihara, Masahiro; Kawamura, Takashi","Bis[dirhodium(II)] complexes with a Rh4(μ-Cl)4 core: preparation and characterization ‡","Journal of the Chemical Society, Dalton Transactions","1998","","14","2277","","10.1039/a803623c","","","0.7107","MoKα","","","0.0234","","","0.0308","","","","","1.245","1.245","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029167","18.8962","0.0003","18.8962","0.0003","16.0089","0.0006","90","","90","","90","","5716.2","0.2","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C118 H102 N14 O28 Ti10 -","- C118 H102 N14 O28 Ti10 -","- C236 H204 N28 O56 Ti20 -","2","0.25","","Chaumont, Clément; Mobian, Pierre; Henry, Marc","An unprecedented high nuclearity catecholato-based Ti(iv)-architecture bearing labile pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3416","3419","10.1039/c3dt53424c","","","0.71073","MoKα","","0.0638","0.0388","","","0.0646","0.067","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030141","14.1752","0.0011","14.1752","0.0011","7.4478","0.0006","90","","90","","90","","1496.5","0.2","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C32 H32 Cl N4 O4 Ru2 -","- C32 H32 Cl N4 O4 Ru2 -","- C64 H64 Cl2 N8 O8 Ru4 -","2","0.25","","Delgado, Patricia; González-Prieto, Rodrigo; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L; Torres, Rosario M.","Comparative study of different methods for the preparation of tetraamidato- and tetracarboxylatodiruthenium compounds. Structural and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11866","11874","10.1039/c2dt30939d","","","0.71073","MoKα","","0.034","0.0272","","","0.0626","0.0648","","","","","","0.977","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030440","22.5854","0.001","22.5854","0.001","8.8962","0.0008","90","","90","","90","","4538","0.5","291","2","291","2","","","","","","","","5","I -4","I -4","82","","","","- C41 H46 Cd2 N2 O16 -","- C41 H46 Cd2 N2 O16 -","- C164 H184 Cd8 N8 O64 -","4","0.5","","Liang, Li-Li; Ren, Shi-Bin; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Two unprecedented NLO-active coordination polymers constructed by a semi-rigid tetrahedral linker.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7723","7726","10.1039/c0dt00255k","","","0.71073","MoKα","","0.0592","0.0502","","","0.1072","0.1092","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031676","10.543","0.0011","10.543","0.0011","11.767","0.0006","90","","90","","90","","1308","0.2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C12 H20 N14 O6 Pb S4 -","- C12 H20 N14 O6 Pb S4 -","- C24 H40 N28 O12 Pb2 S8 -","2","0.25","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.71073","MoKα","","0.013","0.013","","","0.0284","0.0284","","","","","","0.965","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7033773","15.754","0.002","15.754","0.002","19.585","0.003","90","","90","","90","","4860.8","1.1","223","","223","","","","","","","","","7","I -4","I -4","82","","","","- C48 H117.71 B8 F32 N28 Ni4 O17.35 -","- C48 H108 B8 F32 N28 Ni4 O17.35 -","- C96 H216 B16 F64 N56 Ni8 O34.7 -","2","0.25","","Miyake, Ryosuke; Kuwata, Chika; Masumoto, Yui","Selective CO2 gas adsorption in the narrow crystalline cavities of flexible peptide metallo-macrocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2993","2996","10.1039/c4dt03530e","","","0.71073","MoKα","","0.0754","0.062","","","0.1646","0.1742","","","","","","1.043","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033774","15.7784","0.0006","15.7784","0.0006","19.7467","0.0015","90","","90","","90","","4916.1","0.5","193","","193","","","","","","","","","7","I -4","I -4","82","","","","- C48 H127.61 B8 F32 N28 Ni4 O22.3 -","- C48 H108 B8.002 F32.004 N28 Ni4 O22.305 -","- C96 H216 B16.004 F64.008 N56 Ni8 O44.61 -","2","0.25","","Miyake, Ryosuke; Kuwata, Chika; Masumoto, Yui","Selective CO2 gas adsorption in the narrow crystalline cavities of flexible peptide metallo-macrocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2993","2996","10.1039/c4dt03530e","","","0.71073","MoKα","","0.0402","0.0377","","","0.1105","0.1125","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034198","15.1307","0.0006","15.1307","0.0006","19.1938","0.0015","90","","90","","90","","4394.2","0.4","200","2","200","2","","","","","","","","7","I -4","I -4","82","","","","- C78 H96 Cl4 N8 O8 P4 Pd4 -","- C78 H96 Cl4 N8 O8 P4 Pd4 -","- C156 H192 Cl8 N16 O16 P8 Pd8 -","2","0.25","","Lee, Seon Gye; Choi, Keun-Young; Kim, Yong-Joo; Park, SuJin; Lee, Soon W.","Cyclic tetramers of a five-membered palladacycle based on a head-to-tail-linked isocyanate dimer and their reactivity in cyclotrimerization of isocyanates.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6537","6545","10.1039/c5dt00534e","","","0.71073","MoKα","","0.05","0.0213","","","0.0472","0.0561","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7035997","26.779","0.006","26.779","0.006","21.946","0.005","90","","90","","90","","15738","6","173","2","173","2","","","","","","","","7","I -4","I -4","82","","","","- C216 H272 Mo4 N16 Ni P4 V4 -","- C216 H240 Mo4 N16 Ni P4 V4 -","- C432 H480 Mo8 N32 Ni2 P8 V8 -","2","0.25","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","x-ray","0.71073","MoKα","","0.2776","0.185","","","0.4578","0.5056","","","","","","1.225","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7036207","26.2291","0.0007","26.2291","0.0007","10.7386","0.0004","90","","90","","90","","7387.8","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C37 H47 Cl2 N2 O4 P Y -","- C37 H47 Cl2 N2 O4 P Y -","- C296 H376 Cl16 N16 O32 P8 Y8 -","8","1","","Tolpygin, Aleksei O.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Aleksanyan, Diana V.; Cui, Dongmei; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes supported by a new tridentate amidinate ligand with a pendant diphenylphosphine oxide group. Synthesis, structures and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16465","16474","10.1039/c5dt02570b","","","0.71073","MoKα","","0.0458","0.0355","","","0.0788","0.0818","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036809","40.368","0.002","40.368","0.002","11.9229","0.0007","90","","90","","90","","19429.3","1.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C74 H104 Cl Dy5 N8 O33.5 -","- C74 H104 Cl Dy5 N8 O33.5 -","- C592 H832 Cl8 Dy40 N64 O268 -","8","1","","Biswas, Sourav; Das, Sourav; van Leusen, Jan; Kögerler, Paul; Chandrasekhar, Vadapalli","Pentanuclear [2.2] spirocyclic lanthanide(iii) complexes: slow magnetic relaxation of the Dy(III) analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19282","19293","10.1039/c5dt03060a","","","0.71073","MoKα","","0.0671","0.0501","","","0.1065","0.1123","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7036810","40.479","0.005","40.479","0.005","11.943","0.005","90","","90","","90","","19569","9","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C74 H103 Cl N8 O34.5 Tb5 -","- C74 H103 Cl N8 O34.5 Tb5 -","- C592 H824 Cl8 N64 O276 Tb40 -","8","1","","Biswas, Sourav; Das, Sourav; van Leusen, Jan; Kögerler, Paul; Chandrasekhar, Vadapalli","Pentanuclear [2.2] spirocyclic lanthanide(iii) complexes: slow magnetic relaxation of the Dy(III) analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19282","19293","10.1039/c5dt03060a","","","0.71069","MoKα","","0.0828","0.0565","","","0.1359","0.1532","","","","","","1.028","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7036811","40.446","0.005","40.446","0.005","11.94","0.005","90","","90","","90","","19532","9","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C74 H104 Cl Ho5 N8 O31.5 -","- C74 H104 Cl Ho5 N8 O31.5 -","- C592 H832 Cl8 Ho40 N64 O252 -","8","1","","Biswas, Sourav; Das, Sourav; van Leusen, Jan; Kögerler, Paul; Chandrasekhar, Vadapalli","Pentanuclear [2.2] spirocyclic lanthanide(iii) complexes: slow magnetic relaxation of the Dy(III) analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19282","19293","10.1039/c5dt03060a","","","0.71069","MoKα","","0.1009","0.0676","","","0.1536","0.1799","","","","","","1.027","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7037531","13.16","0.0014","13.16","0.0014","26.614","0.004","90","","90","","90","","4609.2","1","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C88 H92 O26 P8 Sb4 -","- C88 H92 O26 P8 Sb4 -","- C176 H184 O52 P16 Sb8 -","2","0.25","","Ugandhar, Uppara; Baskar, Viswanathan","Monoorganoantimony(v) phosphonates and phosphoselininates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6269","6274","10.1039/c5dt03449c","","","0.71073","MoKα","","0.0612","0.0595","","","0.1578","0.1604","","","","","","1.076","","","","has coordinates","181740","2020-10-21","18:00:00",""
"7038062","17.594","0.0004","17.594","0.0004","21.059","0.0007","90","","90","","90","","6518.8","0.3","173","1","173","1","","","","","","","","6","I -4","I -4","82","","","","- C80 H60 Cu2 Ir2 N4 O4 -","- C80 H60 Cu2 Ir2 N4 O4 -","- C320 H240 Cu8 Ir8 N16 O16 -","4","0.5","","Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio; Weber, Michael D.; Costa, Rubén D","Alkynyl bridged cyclometalated Ir2M2 clusters: impact of the heterometal in the photo- and electro-luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3251","3255","10.1039/c5dt04027b","","x-ray","0.71073","MoKα","","0.0552","0.0389","","","0.0784","0.0839","","","","","","1.041","","","","has coordinates,has disorder","177828","2020-10-21","18:00:00",""
"7039040","13.207","0.004","13.207","0.004","10.681","0.004","90","","90","","90","","1863","1.1","150","2","150","2","","","","","","","","7","I -4","I -4","82","","","","- C37 H44 Cu F3 O3 P4 S -","- C36 H44 Cu P4 -","- C72 H88 Cu2 P8 -","2","0.25","","Nell, Bryan P.; Swor, Charles D.; Henle, E. Adrian; Zakharov, Lev N.; Rinehart, N. Ian; Nathan, Aditya; Tyler, David R.","Synthesis of tetraphosphine macrocycles using copper(i) templates.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8253","8264","10.1039/c6dt00758a","","","0.71073","MoKα","","0.1026","0.0822","","","0.2187","0.2337","","","","","","1.081","","","","has coordinates","185544","2020-10-21","18:00:00",""
"7039476","22.3944","0.0005","22.3944","0.0005","17.6264","0.0004","90","","90","","90","","8839.8","0.3","150","","150","","","","","","","","","6","I -4","I -4","82","","","","- C53 H42 Cl N5 O5 Ru -","- C53 H42 Cl N5 O5 Ru -","- C424 H336 Cl8 N40 O40 Ru8 -","8","1","","Bessette, André; Cibian, Mihaela; Ferreira, Janaina G.; DiMarco, Brian N.; Bélanger, Francis; Désilets, Denis; Meyer, Gerald J.; Hanan, Garry S.","Azadipyrromethene cyclometalation in neutral Ru(II) complexes: photosensitizers with extended near-infrared absorption for solar energy conversion applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10563","10576","10.1039/c6dt00961a","","","1.54178","CuKα","","0.0275","0.027","","","0.0689","0.0694","","","","","","1.051","","","","has coordinates","185348","2020-10-21","18:00:00",""
"7040045","23.749","0.006","23.749","0.006","24.831","0.004","90","","90","","90","","14005","5","213","2","213.15","","","","","","","","","4","I -4","I -4","82","","","","- C264 H316 Bi10 O32 -","- C264 H316 Bi10 O32 -","- C528 H632 Bi20 O64 -","2","0.25","","Mendoza-Espinosa, Daniel","Synthesis and characterization of a Bi10O8(OAr)16 oxo-cluster supported by p-tert-butylcalix[5]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13399","13405","10.1039/c6dt02068b","","","0.71073","MoKα","","0.0873","0.0725","","","0.1826","0.1957","","","","","","1.041","","","","has coordinates","186411","2020-10-21","18:00:00",""
"7040250","11.8143","0.0003","11.8143","0.0003","24.1508","0.0008","90","","90","","90","","3370.91","0.16","150","2","150","2","","","","","","","","8","I -4","I -4","82","","","","- C48 H48 Cl8 N8 O2 Pd4 S8 Sn4 -","- C48 H48 Cl8 N8 O2 Pd4 S8 Sn4 -","- C96 H96 Cl16 N16 O4 Pd8 S16 Sn8 -","2","0.25","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0196","0.0183","","","0.0394","0.04","","","","","","1.176","","","","has coordinates,has disorder","187113","2020-10-21","18:00:00",""
"7040946","13.862","0.0005","13.862","0.0005","23.4683","0.0008","90","","90","","90","","4509.6","0.3","100","2","100","","","","","","","","","5","I -4","I -4","82","","","","- C76 H80 N4 O19 Ti4 -","- C76 H80 N4 O19 Ti4 -","- C152 H160 N8 O38 Ti8 -","2","0.25","","Cols, Jean-Marie E P; Taylor, Cameron E.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.","Well-defined Ti4 pre-catalysts for the ring-opening polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17729","17738","10.1039/c6dt03842e","","","0.71073","MoKα","","0.0417","0.0381","","","0.1107","0.1145","","","","","","1.068","","","","has coordinates","190182","2020-10-21","18:00:00",""
"7040947","19.5294","0.0008","19.5294","0.0008","20.7148","0.0009","90","","90","","90","","7900.6","0.6","100","","100","","","","","","","","","5","I -4","I -4","82","","","","- C180 H216 N4 O18 Ti4 -","- C180 H216 N4 O18 Ti4 -","- C360 H432 N8 O36 Ti8 -","2","0.25","","Cols, Jean-Marie E P; Taylor, Cameron E.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.","Well-defined Ti4 pre-catalysts for the ring-opening polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17729","17738","10.1039/c6dt03842e","","","0.71073","MoKα","","0.0543","0.0383","","","0.0925","0.1036","","","","","","1.078","","","","has coordinates,has disorder","190182","2020-10-21","18:00:00",""
"7041657","11.7868","0.0006","11.7868","0.0006","15.2341","0.0009","90","","90","","90","","2116.5","0.2","123","2","123","2","","","","","","","","5","I -4","I -4","82","","","","- C40 H68 B2 F8 Ru4 -","- C40 H60 B2 F8 Ru4 -","- C80 H120 B4 F16 Ru8 -","2","0.25","","Kameo, Hajime; Ito, Yutaka; Shimogawa, Ryuichi; Koizumi, Asuka; Chikamori, Hiroki; Fujimoto, Junko; Suzuki, Hiroharu; Takao, Toshiro","Synthesis and characterisation of tetranuclear ruthenium polyhydrido clusters with pseudo-tetrahedral geometry.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5631","5643","10.1039/c6dt04523e","","","0.71069","MoKα","","0.0227","0.0198","","","0.0447","0.0474","","","","","","1.098","","","","has coordinates","196414","2020-10-21","18:00:00",""
"7044329","13.5404","0.0003","13.5404","0.0003","27.7844","0.001","90","","90","","90","","5094.1","0.2","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C76 H48 N8 O28 S4 Ti4 -","- C76 H48 N8 O28 S4 Ti4 -","- C152 H96 N16 O56 S8 Ti8 -","2","0.25","","Zhu, Long-Guan; Wu, Rong-Hui; Guo, Ming; Yu, Mingxin","Two Titanium(IV)-Oxo-Clusters: Synthesis, Structures, Character-ization and Recycling Catalytic Activity in Oxygenation of Sulfide","Dalton Trans.","2017","","","","","10.1039/C7DT02516E","","","0.71073","MoKα","","0.1107","0.0945","","","0.2565","0.2631","","","","","","1.721","","","","has coordinates","201331","2020-10-21","18:00:00",""
"7045440","14.662","0.002","14.662","0.002","15.487","0.002","90","","90","","90","","3329.3","0.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C32 H42 N4 Ni O2 S2 -","- C32 H42 N4 Ni O2 S2 -","- C128 H168 N16 Ni4 O8 S8 -","4","0.5","","Ali, Zahra; Richey, Nathaniel E.; Bock, Duane C.; Abboud, Khalil A.; Akhtar, Javeed; Sher, Muhammad; McElwee-White, Lisa","N,N-Disubstituted-N'-acylthioureas as modular ligands for deposition of transition metal sulfides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2719","2726","10.1039/c7dt04860b","","","0.71073","MoKα","","0.0225","0.02","","","0.0485","0.0491","","","","","","1.029","","","","has coordinates","229405","2020-10-21","18:00:00",""
"7045975","16.3724","0.0002","16.3724","","14.2233","0.0002","90","","90","","90","","3812.63","0.07","105","2","105","2","","","","","","","","7","I -4","I -4","82","Fe(dipyvd)2PF6","","","- C34 H36 F6 Fe N14 O2 P -","- C34 H36 F6 Fe N14 O2 P -","- C136 H144 F24 Fe4 N56 O8 P4 -","4","0.5","","Brook, David J. R.; Fleming, Connor; Chung, Dorothy; Richardson, Cardius; Ponce, Servando; Das, Raja; Srikanth, Hariharan; Heindl, Ranko; Noll, Bruce C.","An electron transfer driven magnetic switch: ferromagnetic exchange and spin delocalization in iron verdazyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6351","6360","10.1039/c8dt00805a","","","0.71073","MoKα","","0.0433","0.0394","","","0.0948","0.0982","","","","","","1.037","","","","has coordinates","229866","2020-10-21","18:00:00",""
"7046777","23.5015","0.0002","23.5015","0.0002","15.9233","0.0002","90","","90","","90","","8794.77","0.15","123","2","123","2","","","","","","","","7","I -4","I -4","82","","","","- C38 H32 Cl2 F4 Mn2 N4 O14 -","- C38 H32 Cl2 F4 Mn2 N4 O14 -","- C304 H256 Cl16 F32 Mn16 N32 O112 -","8","1","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","1.54184","CuKα","","0.0725","0.0622","","","0.1799","0.1926","","","","","","1.03","","","","has coordinates","229985","2020-10-21","18:00:00",""
"7047688","12.9717","0.0005","12.9717","0.0005","16.319","0.0007","90","","90","","90","","2745.92","0.19","139","2","139","","","","","","","","","6","I -4","I -4","82","","","","- C30.8 H45.4 Gd4 N1.4 O38.6 S4 -","- C30.8 H45.4 Gd4 N1.4 O38.6 S4 -","- C61.6 H90.8 Gd8 N2.8 O77.2 S8 -","2","0.25","","Bera, Siba Prasad; Mondal, Arpan; Roy, Subhadip; Dey, Bijoy; Santra, Atanu; Konar, Sanjit","3D isomorphous lanthanide coordination polymers displaying magnetic refrigeration, slow magnetic relaxation and tunable proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15405","15415","10.1039/c8dt03498b","","","0.71073","MoKα","","0.0186","0.018","","","0.0389","0.0391","","","","","","1.061","","","","has coordinates,has disorder","229435","2020-10-21","18:00:00",""
"7047689","12.8363","0.0002","12.8363","0.0002","16.2028","0.0004","90","","90","","90","","2669.75","0.09","296","2","296.15","","","","","","","","","6","I -4","I -4","82","","","","- C30.8 H45.4 Er4 N1.4 O38.6 S4 -","- C30.8 H45.4 Er4 N1.4 O38.6 S4 -","- C61.6 H90.8 Er8 N2.8 O77.2 S8 -","2","0.25","","Bera, Siba Prasad; Mondal, Arpan; Roy, Subhadip; Dey, Bijoy; Santra, Atanu; Konar, Sanjit","3D isomorphous lanthanide coordination polymers displaying magnetic refrigeration, slow magnetic relaxation and tunable proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15405","15415","10.1039/c8dt03498b","","","0.71073","MoKα","","0.0226","0.0216","","","0.0406","0.041","","","","","","1.018","","","","has coordinates,has disorder","229435","2020-10-21","18:00:00",""
"7047690","12.8759","0.0006","12.8759","0.0006","16.2369","0.0007","90","","90","","90","","2691.9","0.2","296","2","296.15","","","","","","","","","6","I -4","I -4","82","","","","- C30.8 H45.4 Ho4 N1.4 O38.6 S4 -","- C30.8 H45.4 Ho4 N1.4 O38.6 S4 -","- C61.6 H90.8 Ho8 N2.8 O77.2 S8 -","2","0.25","","Bera, Siba Prasad; Mondal, Arpan; Roy, Subhadip; Dey, Bijoy; Santra, Atanu; Konar, Sanjit","3D isomorphous lanthanide coordination polymers displaying magnetic refrigeration, slow magnetic relaxation and tunable proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15405","15415","10.1039/c8dt03498b","","","0.71073","MoKα","","0.0208","0.0201","","","0.0395","0.0397","","","","","","1.004","","","","has coordinates,has disorder","229435","2020-10-21","18:00:00",""
"7047691","12.8964","0.0004","12.8964","0.0004","16.2519","0.0006","90","","90","","90","","2702.97","0.15","296","2","296.15","","","","","","","","","6","I -4","I -4","82","","","","- C30.8 H45.4 Dy4 N1.4 O38.6 S4 -","- C30.8 H45.4 Dy4 N1.4 O38.6 S4 -","- C61.6 H90.8 Dy8 N2.8 O77.2 S8 -","2","0.25","","Bera, Siba Prasad; Mondal, Arpan; Roy, Subhadip; Dey, Bijoy; Santra, Atanu; Konar, Sanjit","3D isomorphous lanthanide coordination polymers displaying magnetic refrigeration, slow magnetic relaxation and tunable proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15405","15415","10.1039/c8dt03498b","","","0.71073","MoKα","","0.017","0.0166","","","0.0338","0.034","","","","","","0.918","","","","has coordinates,has disorder","229435","2020-10-21","18:00:00",""
"7048860","13.1705","0.0009","13.1705","0.0009","19.6437","0.0014","90","","90","","90","","3407.4","0.4","120","2","120","2","","","","","","","","5","I -4","I -4","82","","","","- C62.8 H57.6 Cu4 N32 O8.8 -","- C62.8 H52 Cu4 N32 O8.8 -","- C125.6 H104 Cu8 N64 O17.6 -","2","0.25","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Shul'gin, Victor; Ryush, Irina; Kiskin, Michail; Efimov, Nickolay; Ugolkova, Elena; Minin, Vadim; Lyssenko, Konstantin; Eremenko, Igor; Linert, Wolfgang","Copper(ii) self-assembled clusters of bis((pyridin-2-yl)-1,2,4-triazol-3-yl)alkanes. Unusual rearrangement of ligands under reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3052","3060","10.1039/c8dt04816a","","","0.71073","MoKα","","0.0483","0.0371","","","0.0895","0.0939","","","","","","1.058","","","","has coordinates","224324","2020-10-21","18:00:00",""
"7049160","27.492","0.003","27.492","0.003","9.296","0.003","90","","90","","90","","7026","3","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C45 H32 Ir N3 O2 -","- C45 H32 Ir N3 O2 -","- C360 H256 Ir8 N24 O16 -","8","1","","Li, Qiuxia; Zhang, Xinghua; Cao, Yibo; Shi, Chao; Tao, Peng; Zhao, Qiang; Yuan, Aihua","An oxygen-bridged triarylamine polycyclic unit based tris-cyclometalated heteroleptic iridium(iii) complex: correlation between the structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4596","4601","10.1039/c9dt00344d","","","0.71073","MoKα","","0.0758","0.0545","","","0.1231","0.131","","","","","","1.066","","","","has coordinates","224295","2020-10-21","18:00:00",""
"7049314","11.2755","0.0011","11.2755","0.0011","24.219","0.003","90","","90","","90","","3079.1","0.6","100","","100","","","","","","","","","9","I -4","I -4","82","","","","- C10 H9 B0.25 Cl0.5 F N O Rh0.25 Te -","- C10 H9 B0.25 Cl0.5 F N O Rh0.25 Te -","- C80 H72 B2 Cl4 F8 N8 O8 Rh2 Te8 -","8","1","","Ho, Peter C.; Bui, Robert; Cevallos, Alberto; Sequeira, Shanel; Britten, James F.; Vargas-Baca, Ignacio","Macrocyclic complexes of Pt(ii) and Rh(iii) with iso-tellurazole N-oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4879","4886","10.1039/c9dt00500e","","","0.71073","MoKα","","0.0503","0.0411","","","0.099","0.1047","","","","","","1.036","","","","has coordinates","224388","2020-10-21","18:00:00",""
"7050173","14.449","0.004","14.449","0.004","17.537","0.005","90","0.005","90","0.005","90","0.005","3661.3","1.8","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 O20 S8 Tb -","- C64 H68 Cl3 O20 S8 Tb -","- C128 H136 Cl6 O40 S16 Tb2 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0797","0.0651","","","0.1577","0.1709","","","","","","1.002","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050174","14.488","0.002","14.488","0.002","17.49","0.004","90","","90","","90","","3671.2","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 Eu O20 S8 -","- C64 H72 Cl3 Eu O20 S8 -","- C128 H144 Cl6 Eu2 O40 S16 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0712","0.0674","","","0.1685","0.1745","","","","","","1.001","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050175","14.469","0.002","14.469","0.002","17.509","0.004","90","","90","","90","","3665.5","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 Gd O20 S8 -","- C64 H72 Cl3 Gd O20 S8 -","- C128 H144 Cl6 Gd2 O40 S16 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0769","0.0707","","","0.1806","0.1902","","","","","","0.989","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050176","14.508","0.002","14.508","0.002","17.559","0.004","90","","90","","90","","3695.9","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 La O20 S8 -","- C64 H72 Cl3 La O20 S8 -","- C128 H144 Cl6 La2 O40 S16 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.1099","0.0873","","","0.2195","0.2432","","","","","","1.002","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050177","14.426","0.002","14.426","0.002","17.487","0.004","90","","90","","90","","3639.2","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 O20 S8 Yb -","- C64 H72 Cl3 O20 S8 Yb -","- C128 H144 Cl6 O40 S16 Yb2 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0671","0.0669","","","0.1647","0.1651","","","","","","1.002","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050734","16.14","0.002","16.14","0.002","27.624","0.004","90","","90","","90","","7196","1.6","301","2","301","2","","","","","","","","6","I -4","I -4","82","","","","- C128 H116 Ag6 F12 P10 S4 -","- C128 H116 Ag6 F12 P10 S4 -","- C256 H232 Ag12 F24 P20 S8 -","2","0.25","","Wing-Wah Yam, Vivian; Chung-Chin Cheng, Eddie; Zhu, Nianyong","Synthesis, photophysics, and electrochemistry of hexanuclear silver(I) chalcogenolate complexes. X-Ray crystal structures of [Ag6(µ-dppm)4(µ3-SC6H4Me-p)4](PF6)2 and [Ag6(µ-dppm)4(µ3-SeC6H4Cl-p)4](PF6)2","New Journal of Chemistry","2002","26","3","279","","10.1039/b108759m","","","0.71073","MoKα","","0.0473","0.039","","","0.1093","0.1189","","","","","","1.128","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050735","16.021","0.002","16.021","0.002","27.512","0.004","90","","90","","90","","7061.6","1.6","301","2","301","2","","","","","","","","7","I -4","I -4","82","","","","- C124 H104 Ag6 Cl4 F12 P10 Se4 -","- C124 H104 Ag6 Cl4 F12 P10 Se4 -","- C248 H208 Ag12 Cl8 F24 P20 Se8 -","2","0.25","","Wing-Wah Yam, Vivian; Chung-Chin Cheng, Eddie; Zhu, Nianyong","Synthesis, photophysics, and electrochemistry of hexanuclear silver(I) chalcogenolate complexes. X-Ray crystal structures of [Ag6(µ-dppm)4(µ3-SC6H4Me-p)4](PF6)2 and [Ag6(µ-dppm)4(µ3-SeC6H4Cl-p)4](PF6)2","New Journal of Chemistry","2002","26","3","279","","10.1039/b108759m","","","0.71073","MoKα","","0.0507","0.0374","","","0.0984","0.1112","","","","","","1.042","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051296","13.7248","0.0019","13.7248","0.0019","10.859","0.002","90","","90","","90","","2045.4","0.6","123","2","123","2","","","","","","","","3","I -4","I -4","82","Methylpyrazine","","","- C5 H6 N2 -","- C5 H6 N2 -","- C80 H96 N32 -","16","2","","","","New Journal of Chemistry","2000","","","","","10.1039/b001843k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051769","16.7252","0.0005","16.7252","0.0005","16.1385","0.001","90","","90","","90","","4514.5","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C86 H78 N24 O10 Ru -","- C86 H70 N22 O4 Ru -","- C172 H140 N44 O8 Ru2 -","2","0.25","","Wei, Qiao-Hua; Argent, Stephen P.; Adams, Harry; Ward, Michael D.","Post-coordination functionalisation of pyrazolyl-based ligands as a route to polynuclear complexes based on an inert RuIIN6 core","New Journal of Chemistry","2008","32","1","73","","10.1039/b708572a","","","0.71073","MoKα","","0.0616","0.0582","","","0.1496","0.1532","","","","","","1.072","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7053679","13.6296","0.0001","13.6296","0.0001","18.9768","0.0002","90","","90","","90","","3525.24","0.05","200","2","200","2","","","","","","","","4","I -4","I -4","82","Silane (1)","Silane (1)","","- C24 H16 Br4 Si -","- C24 H16 Br4 Si -","- C144 H96 Br24 Si6 -","6","0.75","","Beele, Björn; Guenther, Johannes; Perera, Melanie; Stach, Michaela; Oeser, Thomas; Blümel, Janet","New linker systems for superior immobilized catalysts","New Journal of Chemistry","2010","34","12","2729","","10.1039/c0nj00482k","","","0.71073","MoKα","","0.0444","0.0365","","","0.09","0.0948","","","","","","1.025","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7054257","22.126","0.004","22.126","0.004","6.012","0.002","90","","90","","90","","2943.2","1.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H13 Ag N2 S2 -","- C14 H13 Ag N2 S2 -","- C112 H104 Ag8 N16 S16 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Influence of ligand environment on the structure and properties of silver(i) dithiocarbamate cluster-based coordination polymers and dimers","New Journal of Chemistry","2014","38","9","4478","","10.1039/C4NJ00580E","","","0.71073","MoKα","","0.173","0.0921","","","0.243","0.3107","","","","","","0.867","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054258","22.201","0.004","22.201","0.004","5.971","0.002","90","","90","","90","","2943","1.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C13 H12 Ag N3 S2 -","- C13 H12 Ag N3 S2 -","- C104 H96 Ag8 N24 S16 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Influence of ligand environment on the structure and properties of silver(i) dithiocarbamate cluster-based coordination polymers and dimers","New Journal of Chemistry","2014","38","9","4478","","10.1039/C4NJ00580E","","","0.71073","MoKα","","0.1559","0.0802","","","0.1912","0.2383","","","","","","1.009","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7057042","13.1749","0.0006","13.1749","0.0006","15.0846","0.0009","90","","90","","90","","2618.4","0.2","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C45 H30 Cl3 N25 -","- C45 H30 Cl3 N25 -","- C90 H60 Cl6 N50 -","2","0.25","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0549","0.0385","","","0.0918","0.1006","","","","","","1.013","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7057043","13.3307","0.0006","13.3307","0.0006","15.2977","0.0008","90","","90","","90","","2718.5","0.2","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C48 H36 Br N25 -","- C48 H36 Br N25 -","- C96 H72 Br2 N50 -","2","0.25","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0604","0.0331","","","0.0538","0.0587","","","","","","0.93","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7058066","18.97","0.003","18.97","0.003","18.214","0.004","90","","90","","90","","6555","2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C90 H100 Gd8 N16 O50 -","- C90 H100 Gd8 N16 O50 -","- C180 H200 Gd16 N32 O100 -","2","0.25","","Li, Ling-Fei; Kuang, Wei-Wei; Li, Yi-Ming; Zhu, Li-Li; Xu, Yun; Yang, Pei-Pei","A series of new octanuclear Ln8 clusters: magnetic studies reveal a significant cryogenic magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2019","43","3","1617","","10.1039/C8NJ04231D","","","0.71073","MoKα","","0.0447","0.0422","","","0.1056","0.108","","","","","","1.078","","","","has coordinates","225009","2020-10-21","18:00:00",""
"7058067","19.107","0.003","19.107","0.003","18.188","0.004","90","","90","","90","","6640","2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C90 H100 N16 O50 Tb8 -","- C90 H100 N16 O50 Tb8 -","- C180 H200 N32 O100 Tb16 -","2","0.25","","Li, Ling-Fei; Kuang, Wei-Wei; Li, Yi-Ming; Zhu, Li-Li; Xu, Yun; Yang, Pei-Pei","A series of new octanuclear Ln8 clusters: magnetic studies reveal a significant cryogenic magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2019","43","3","1617","","10.1039/C8NJ04231D","","","0.71073","MoKα","","0.0348","0.0342","","","0.0936","0.0943","","","","","","1.028","","","","has coordinates","225009","2020-10-21","18:00:00",""
"7058068","19.037","0.003","19.037","0.003","18.195","0.004","90","","90","","90","","6594","2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C90 H100 Dy8 N16 O50 -","- C90 H100 Dy8 N16 O50 -","- C180 H200 Dy16 N32 O100 -","2","0.25","","Li, Ling-Fei; Kuang, Wei-Wei; Li, Yi-Ming; Zhu, Li-Li; Xu, Yun; Yang, Pei-Pei","A series of new octanuclear Ln8 clusters: magnetic studies reveal a significant cryogenic magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2019","43","3","1617","","10.1039/C8NJ04231D","","","0.71073","MoKα","","0.0348","0.0338","","","0.0886","0.09","","","","","","1.02","","","","has coordinates","225009","2020-10-21","18:00:00",""
"7058069","18.7121","0.0005","18.7121","0.0005","18.3396","0.0011","90","","90","","90","","6421.5","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C90 H100 Ho8 N16 O50 -","- C90 H100 Ho8 N16 O50 -","- C180 H200 Ho16 N32 O100 -","2","0.25","","Li, Ling-Fei; Kuang, Wei-Wei; Li, Yi-Ming; Zhu, Li-Li; Xu, Yun; Yang, Pei-Pei","A series of new octanuclear Ln8 clusters: magnetic studies reveal a significant cryogenic magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2019","43","3","1617","","10.1039/C8NJ04231D","","","0.71073","MoKα","","0.0359","0.0348","","","0.1206","0.1237","","","","","","1.006","","","","has coordinates","225009","2020-10-21","18:00:00",""
"7058657","12.807","0.003","12.807","0.003","25.664","0.005","90","0.006","90","0.008","90","","4209.4","1.6","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C62 H84 N22 O31 Zn5 -","- C62 H84 N22 O31 Zn5 -","- C124 H168 N44 O62 Zn10 -","2","0.25","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Bhattacharyya, Arghyadeep; Zangrando, Ennio; Escudero, Daniel; Das, Debasis","A macrocyclic tetranuclear ZnII complex as a receptor for selective dual fluorescence sensing of F− and AcO−: effect of a macrocyclic ligand","New Journal of Chemistry","2019","43","33","13152","","10.1039/C9NJ03481A","","","0.71073","MoKα","","0.1936","0.0633","","","0.1423","0.1979","","","","","","0.94","","","","has coordinates","224756","2020-10-21","18:00:00",""
"7062601","26.8526","0.0011","26.8526","0.0011","5.057","0.0003","90","","90","","90","","3646.4","0.3","273","2","273","2","","","","","","","","4","I -4","I -4","82","","","","- C22 H21 N3 O2 -","- C22 H19 N3 O -","- C176 H152 N24 O8 -","8","1","","Kumar M, Naveen; Lyngkhoi, Deikrisha Lyngdoh; Gaikwad, Sudhakar; Samanta, Debabrata; Khatua, Snehadrinarayan; Pramanik, Susnata","The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones","New Journal of Chemistry","2023","47","32","15066","15075","10.1039/D3NJ02198J","","","0.71073","MoKα","","0.0988","0.0681","","","0.1363","0.1502","","","","","","1.095","","","","has coordinates","286160","2023-09-05","20:07:40",""
"7100541","17.832","0.003","17.832","0.003","16.876","0.003","90","","90","","90","","5366.5","1.5","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- C28 H21 Cu2 O12.5 -","- C28 H21 Cu2 O12.5 -","- C224 H168 Cu16 O100 -","8","1","","Enbo Wang; Yangguang Li; Chao Qin; Zhongmin Su; Xin-long Wang","An unprecedented fivefold interpenetrated lvt network containing the exceptional racemic motifs originated from nine interwoven helices","Chemical Communications","2005","","","","","10.1039/b510089e","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100783","19.934","0.001","19.934","0.001","25.343","0.003","90","","90","","90","","10070.4","1.4","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C136 H128 Cl24 Mn12 O48 S16 -","- C136 H120 Cl24 Mn12 O48 S16 -","- C272 H240 Cl48 Mn24 O96 S32 -","2","0.25","","Roberta Sessoli; Roberto Biagi; Daniele Bonacchi; Guillaume Chastanet; Andrea Cornia; Del Pennino,Umberto; D. Gatteschi; Matteo Mannini; Mirko Pacchioni; Chiara Zanardi; Laura Zobbi","Isolated Single Molecule Magnets on native gold","Chemical Communications","2005","","","","","10.1039/b418072k","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7102137","17.179","0.003","17.179","0.003","16.451","0.007","90","","90","","90","","4855","2","150","1","150","1","","","","","","","","6","I -4","I -4","82","","","","- C72 H24 Ag4 Cl40 O6 Pt4 -","- C72 H24 Ag4 Cl40 O6 Pt4 -","- C144 H48 Ag8 Cl80 O12 Pt8 -","2","0.25","","Falvello, Larry R.; Forniés, Juan; Lalinde, Elena; Menjón, Babil; García-Monforte, M. Angeles; Moreno, M. Teresa; Tomás, Milagros","Unusual luminescent octanuclear stellate platinacycle self-assembled by Pt‒Ag bonds","Chemical Communications (Cambridge, United Kingdom)","2007","","37","3838","3840","10.1039/b706439j","","","0.71073","MoKα","","0.0661","0.0465","","","0.1037","0.1114","","","","","","1.032","","","","has coordinates,has disorder","210748","2020-10-21","18:00:00",""
"7102184","23.753","0.0007","23.753","0.0007","20.838","0.0009","90","","90","","90","","11756.9","0.7","200","2","200","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H80 K2 N4 Si2 Zn2 -","- C52 H79.1 K2 N4 Si2 Zn2 -","- C416 H632.8 K16 N32 Si16 Zn16 -","8","1","","Tsai, Yi-Chou; Lu, Duan-Yen; Lin, Yang-Miin; Hwang, Jenn-Kang; Yu, Jen-Shiang K","Structural transformations in dinuclear zinc complexes involving Zn-Zn bonds.","Chemical communications (Cambridge, England)","2007","","40","4125","4127","10.1039/b707396h","","","0.71073","MoKα","","0.1458","0.082","","","0.1866","0.2404","","","","","","1.095","","","","has coordinates,has disorder","180123","2020-10-21","18:00:00",""
"7102735","35.519","0.002","35.519","0.002","12.8788","0.0015","90","","90","","90","","16248","2","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C52 H50 N2 O Rh -","- C52 H50 N2 O Rh -","- C832 H800 N32 O16 Rh16 -","16","2","","Büttner, Torsten; Breher, Frank; Grützmacher, Hansjörg","Amine olefin rhodium(I) complexes: pKa and NH bond strength.","Chemical communications (Cambridge, England)","2004","","24","2820","2821","10.1039/b409981h","","","0.71073","MoKα","","0.0668","0.0567","","","0.1181","0.1226","","","","","","1.083","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7103337","11.862","0.0004","11.862","0.0004","9.314","0.0003","90","","90","","90","","1310.55","0.08","130","2","130","2","","","","","","","","5","I -4","I -4","82","DBWIV181","DBWIV181","","- C24 H43 Ir O4 P2 -","- C24 H43 Ir O4 P2 -","- C48 H86 Ir2 O8 P4 -","2","0.25","","Bridget Williams, D; Kaminsky, Werner; Mayer, James M; Goldberg, Karen I","Reactions of iridium hydride pincer complexes with dioxygen: new dioxygen complexes and reversible O2 binding.","Chemical communications (Cambridge, England)","2008","","35","4195","4197","10.1039/b802739k","","","0.71073","MoKα","","0.039","0.039","","","0.0981","0.0981","","","","","","1.049","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7104107","16.927","0.004","16.927","0.004","7.271","0.002","90","","90","","90","","2083.3","0.9","213","2","213","2","","","","","","","","4","I -4","I -4","82","potassium benzophenone ketyl","","","- C13 H10 K O -","- C13 H10 K O -","- C104 H80 K8 O8 -","8","1","","Scott, Thomas A; Ooro, Betty A; Collins, David J; Shatruk, Michael; Yakovenko, Andrey; Dunbar, Kim R; Zhou, Hong-Cai","After 118 years, the isolation of two common radical anion reductants as simple, stable solids.","Chemical communications (Cambridge, England)","2008","34","1","65","67","10.1039/b815272a","","","0.71073","MoKα","","0.0986","0.0664","","","0.0911","0.0996","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105119","9.6543","0.0011","9.6543","0.0011","6.3283","0.0009","90","","90","","90","","589.83","0.13","293","2","293","2","","","","","","","","4","I -4","I -4","82","2,2-bis(nitroaminomethyl)propane-1,3-dinitroamine","2,2-bis(nitroaminomethyl)propane-1,3-dinitroamine","","- C5 H12 N8 O8 -","- C5 H12 N8 O8 -","- C10 H24 N16 O16 -","2","0.25","","Joo, Young-Hyuk; Shreeve, Jean'ne M","Polynitramino compounds outperform PETN.","Chemical communications (Cambridge, England)","2009","46","1","142","144","10.1039/b916909a","","","0.71073","MoKα","","0.0266","0.0265","","","0.0689","0.0693","","","","","","1.218","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7107328","14.3739","0.0007","14.3739","0.0007","25.6082","0.0013","90","","90","","90","","5290.9","0.5","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C22 H39 I Mo N O2 P2 -","- C22 H39 I Mo N O2 P2 -","- C176 H312 I8 Mo8 N8 O16 P16 -","8","1","","Travis Hebden; Richard Schrock; Michael Takase; Peter Mueller","Cleavage of dinitrogen to yield a (t-BuPOCOP)molybdenum(IV) nitride","Chem.Commun.","2012","48","","1851","","10.1039/c2cc17634c","","","0.71073","MoKα","","0.0377","0.0362","","","0.0845","0.0858","","","","","","1.051","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107925","15.02","0.03","15.02","0.03","9.57","0.019","90","","90","","90","","2159","7","93","2","93","2","","","","","","","","5","I -4","I -4","82","","","","- C7 H6 N4 O2 Zn -","- C7 H6 N4 O2 Zn -","- C56 H48 N32 O16 Zn8 -","8","1","","Jurgen Kahr; Alexandra M. Z. Slawin; John P. S. Mowat; David Fairen-Jimenez; Paul A. Wright","Synthetic control of framework zinc purinate crystallisation and properties of a large pore, decorated, mixed-linker RHO-type ZIF","Chem.Commun.","2012","48","","6690","","10.1039/c2cc32927a","","","0.71073","MoKα","","0.0753","0.0748","","","0.2167","0.2174","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108037","15.4881","0.0007","15.4881","0.0007","19.3282","0.0009","90","","90","","90","","4636.5","0.4","93","","93","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0546","0.0507","","","0.1476","0.1532","","","","","","1.06","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108038","15.5024","0.0007","15.5024","0.0007","19.3585","0.0009","90","","90","","90","","4652.3","0.4","123","","123","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0531","0.0483","","","0.1349","0.1401","","","","","","1.065","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108039","15.5252","0.0006","15.5252","0.0006","19.3983","0.0008","90","","90","","90","","4675.6","0.3","173","","173","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0493","0.0457","","","0.1297","0.1341","","","","","","1.075","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108040","15.4928","0.0007","15.4928","0.0007","19.4045","0.0018","90","","90","","90","","4657.6","0.5","223","","223","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0557","0.0495","","","0.1386","0.1439","","","","","","1.041","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108041","14.619","0.002","14.619","0.002","18.944","0.005","90","","90","","90","","4048.6","1.3","233","","233","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0839","0.0516","","","0.109","0.1251","","","","","","1.022","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108042","14.6608","0.0014","14.6608","0.0014","18.9712","0.0019","90","","90","","90","","4077.7","0.7","273","","273","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0575","0.0362","","","0.0897","0.1028","","","","","","1.06","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108043","14.6619","0.0012","14.6619","0.0012","18.9721","0.0016","90","","90","","90","","4078.5","0.6","293","","293","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0544","0.0372","","","0.0929","0.1057","","","","","","1.061","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108044","14.6824","0.0008","14.6824","0.0008","18.985","0.002","90","","90","","90","","4092.7","0.5","333","","333","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0556","0.0382","","","0.0921","0.1053","","","","","","1.083","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108045","14.567","0.007","14.567","0.007","18.717","0.009","90","","90","","90","","3972","3","93","","93","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1379","0.0816","","","0.1858","0.2161","","","","","","1.037","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108046","15.488","0.007","15.488","0.007","19.36","0.01","90","","90","","90","","4644","4","93","","93","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1506","0.0771","","","0.1845","0.2304","","","","","","0.998","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108047","15.56","0.002","15.56","0.002","19.491","0.006","90","","90","","90","","4719","1.7","273","","273","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1844","0.0788","","","0.1703","0.2163","","","","","","0.957","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108048","15.54","0.0016","15.54","0.0016","19.493","0.004","90","","90","","90","","4707.4","1.2","293","","293","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1256","0.0675","","","0.1536","0.1819","","","","","","0.997","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108049","15.476","0.003","15.476","0.003","19.445","0.004","90","","90","","90","","4657.2","1.6","313","","313","","","","","","","","","5","I -4","I -4","82","","","","- C48 H116 N36 Ni4 O40 -","- C48 H108 N36 Ni4 O40 -","- C96 H216 N72 Ni8 O80 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1242","0.0756","","","0.1844","0.2129","","","","","","0.994","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108050","14.694","0.004","14.694","0.004","19.014","0.01","90","","90","","90","","4105","3","333","","333","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1988","0.0628","","","0.0806","0.1108","","","","","","0.941","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108051","15.47","0.003","15.47","0.003","19.437","0.008","90","","90","","90","","4652","2","313","","313","","","","","","","","","5","I -4","I -4","82","","","","- C48 H116 N36 Ni4 O40 -","- C48 H108 N36 Ni4 O40 -","- C96 H216 N72 Ni8 O80 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1807","0.0789","","","0.1853","0.2342","","","","","","0.954","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108052","15.535","0.006","15.535","0.006","19.504","0.008","90","","90","","90","","4707","3","293","","293","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1608","0.076","","","0.1633","0.2008","","","","","","0.957","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108173","15.287","0.003","15.287","0.003","25.661","0.005","90","","90","","90","","5997","2","95","2","95","2","","","","","","","synthetical product","7","I -4","I -4","82","","tetradecalithium-tetrakis[2,6-dimesitylphenyl-disulfido-silanolate] dichloride-4-n-pentane","","- C116 H148 Cl2 Li14 O4 S8 Si4 -","- C116 H148 Cl2 Li14 O4 S8 Si4 -","- C232 H296 Cl4 Li28 O8 S16 Si8 -","2","0.25","","Stefan Spirk; Ferdinand Belaj; Natascha Hurkes; Rudolf Pietschnig","A 32 vertex polyhedron via supramolecular assembly of silanedithiolate silanolate units","Chem.Commun.","2012","48","","8398","","10.1039/c2cc33883a","","","0.71069","MoKα","","0.0814","0.0584","","","0.1277","0.1409","","","","","","1.007","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7109484","18.4575","0.0004","18.4575","0.0004","13.1542","0.0004","90","","90","","90","","4481.36","0.19","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C23 H29 N3 Ni O2.5 -","- C23 H29 N3 Ni O2.5 -","- C184 H232 N24 Ni8 O20 -","8","1","","Mickael Henrion; Anna Magdalena Oertel; Vincent Ritleng; Michael J. Chetcuti","Facile displacement of eta^5^-cyclopentadienyl ligands from half-sandwich alkyl, NHC-nickel complexes: an original route to robust cis-C,C-nickel square planar complexes","Chem.Commun.","2013","49","","6424","","10.1039/c3cc43691h","","","0.71073","MoKα","","0.0307","0.0259","","","0.0645","0.0677","","","","","","1.048","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7110390","12.9197","0.0004","12.9197","0.0004","7.2357","0.0005","90","","90","","90","","1207.77","0.1","293","2","293","2","","","","","","","synthesis","2","I -4","I -4","82","","tetrakis(4-Ethynylphenyl)methane","","- C33 H20 -","- C33 H20 -","- C66 H40 -","2","0.25","","Galoppini, Elena; Gilardi, Richard","Weak hydrogen bonding between acetylenic groups: the formation of diamondoid nets in the crystal structure of tetrakis(4-ethynylphenyl)methane†","Chemical Communications","1999","","2","173","","10.1039/a807993e","","","1.54178","CuKα","","0.0367","0.0354","","0.0993","0.0951","","","","1.054","1.065","1.065","","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7111310","16.2031","0.0009","16.2031","0.0009","12.7823","0.0014","90","","90","","90","","3355.9","0.5","110","2","110","2","","","","","","","","4","I -4","I -4","82","","","","- C28 H48 Ag4 N12 -","- C14 H23 Ag2 N6 -","- C112 H184 Ag16 N48 -","8","1","","Irwin, Michael D.; Abdou, Hanan E.; Mohamed, Ahmed A.; Fackler, Jr., John P.","Synthesis and X-ray structures of silver and gold guanidinate-like complexes. A Au(ii) complex with a 2.47 �?Au?Au distance","Chemical Communications","2003","","23","2882","","10.1039/b309724m","","","0.71073","MoKα","","0.0461","0.0441","","","0.1063","0.1103","","","","","","1.048","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111330","27.728","0.004","27.728","0.004","11.005","0.002","90","","90","","90","","8461","2","123.2","","","","","","","","","","","4","I -4","I -4","82","","","","- C46 H38 Cl6 O4 -","- C46 H38 Cl6 O4 -","- C368 H304 Cl48 O32 -","8","1","","Iwashita, Shinichi; Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Ono, Kazunori; Takenaka, Masami; Suzuki, Takanori","First stable 7,7,8,8-tetraaryl-o-quinodimethane: isolation, X-ray structure, electrochromic response of 9,10-bis(dianisylmethylene)-9,10-dihydrophenanthreneElectronic supplementary information (ESI) available: ORTEP drawings of 12+ and 2. See http://www.rsc.org/suppdata/cc/b4/b405837b/","Chemical Communications","2004","","18","2076","2077","10.1039/b405837b","","","0.7107","MoKα","","","0.0519","","","","0.0683","","","","","","1.597","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111590","9.4631","0.0007","9.4631","0.0007","13.662","0.002","90","","90","","90","","1223.4","0.2","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H6 Cd7 N16 O14 -","- C8 H6 Cd7 N16 O14 -","- C16 H12 Cd14 N32 O28 -","2","0.25","","Zhong, Di-Chang; Meng, Miao; Zhu, Jie; Yang, Guo-Yu; Lu, Tong-Bu","A highly-connected acentric organic‒inorganic hybrid material with unique 3D inorganic and 3D organic connectivity","Chemical Communications","2010","46","24","4354","4356","10.1039/c000676a","","","0.71073","MoKα","","0.0232","0.0226","","","0.0559","0.0563","","","","","","1.095","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111707","12.2436","0.0004","12.2436","0.0004","22.535","0.0016","90","","90","","90","","3378.1","0.3","173","","173","","","","","","","","","3","I -4","I -4","82","","","","- C49 H31 N3 -","- C49 H31 N3 -","- C196 H124 N12 -","4","0.5","","Hisamatsu, Yosuke; Aihara, Hidenori","Diverse dimerization of molecular tweezers with a 2,4,6-triphenyl-1,3,5-triazine spacer in the solid state","Chemical Communications","2010","46","27","4902","4904","10.1039/c0cc00454e","","","1.54187","CuKα","","","0.0344","","","","0.091","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112541","30.2764","0.0012","30.2764","0.0012","12.3234","0.0005","90","","90","","90","","11296.4","0.8","120","2","120.15","","","","","","","","","6","I -4","I -4","82","","","","- C13 H30 I3 N2 Na2 O13.5 -","- C13 H30 I3 N2 Na2 O13.5 -","- C208 H480 I48 N32 Na32 O216 -","16","2","","Fucke, Katharina; Peach, Michael J. G.; Howard, Judith A. K.; Steed, Jonathan W.","A new water···Na+ coordination motif in an unexpected diatrizoic acid disodium salt crystal form.","Chemical communications (Cambridge, England)","2012","48","79","9822","9824","10.1039/c2cc32766j","","","0.71073","MoKα","","0.047673","0.035276","","","","0.072571","","","","","","0.927109","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112895","19.6365","0.0015","19.6365","0.0015","15.5296","0.0013","90","","90","","90","","5988.1","0.8","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C32 H72 Mo12 N5 Na7 O98 P8 -","- C32 H72 Mo12 N5 Na7 O98 P8 -","- C64 H144 Mo24 N10 Na14 O196 P16 -","2","0.25","","Compain, Jean-Daniel; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne; Oms, Olivier; Sécheresse, Francis; Marrot, Jérôme; Mialane, Pierre","Functionalized polyoxometalates with intrinsic photochromic properties and their association with spiropyran cations.","Chemical communications (Cambridge, England)","2010","46","41","7733","7735","10.1039/c0cc02533j","","","0.71073","MoKα","","0.0332","0.0291","","","0.0863","0.1009","","","","","","1.203","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112950","25.481","0.008","25.481","0.008","16.043","0.006","90","","90","","90","","10416","6","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C60 H40 Cu1.25 Dy1.25 N5 O10 -","- C60 H40 Cu1.25 Dy1.25 N5 O10 -","- C480 H320 Cu10 Dy10 N40 O80 -","8","1","","Wang, Zhi-Long; Fang, Wei-Hui; Yang, Guo-Yu","The first three-fold interpenetrated framework with two different four-connected uniform nets of 6(6) dia and new chiral 8(6) mdf networks.","Chemical communications (Cambridge, England)","2010","46","43","8216","8218","10.1039/c0cc02131h","","","0.71073","MoKα","","0.0512","0.0477","","","0.1091","0.1125","","","","","","1.02","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112951","25.455","0.0008","25.455","0.0008","15.9224","0.0009","90","","90","","90","","10317","0.7","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C60 H40 Cu1.25 Er1.25 N5 O10 -","- C60 H40 Cu1.25 Er1.25 N5 O10 -","- C480 H320 Cu10 Er10 N40 O80 -","8","1","","Wang, Zhi-Long; Fang, Wei-Hui; Yang, Guo-Yu","The first three-fold interpenetrated framework with two different four-connected uniform nets of 6(6) dia and new chiral 8(6) mdf networks.","Chemical communications (Cambridge, England)","2010","46","43","8216","8218","10.1039/c0cc02131h","","","0.71073","MoKα","","0.0433","0.0347","","","0.0852","0.098","","","","","","1.011","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7113057","31.568","0.0002","31.568","0.0002","11.1516","0.0002","90","","90","","90","","11113","0.2","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C22.5 H19.75 N5 O3.88 Ru -","- C22.5 H19.5 N5 O3.875 Ru -","- C360 H312 N80 O62 Ru16 -","16","2","","Leung, Chi-Fai; Yiu, Shek-Man; Xiang, Jing; Lau, Tai-Chu","Addition of [CH(CN)2]- and [TCNE]˙- to Ru(VI)≡N bearing 8-quinolinolato ligands.","Chemical communications (Cambridge, England)","2010","46","40","7575","7577","10.1039/c0cc01645d","","","1.54178","CuKα","","0.0421","0.035","","","0.1043","0.107","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113829","19.293","0.003","19.293","0.003","19.421","0.004","90","","90","","90","","7229","2","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H38 Cl N3 O6 U -","- C38 H38 Cl N3 O6 U -","- C304 H304 Cl8 N24 O48 U8 -","8","1","","Cametti, Massimo; Nissinen, Maija; Cort, Antonella Dalla; Mandolini, Luigi; Rissanen, Kari","Uranyl-salophen based ditopic receptors for the recognition of quaternary ammonium halides","Chemical Communications","2003","","19","2420","","10.1039/b307849c","","","0.71073","MoKα","","0.0577","0.0482","","","0.1209","0.1329","","","","","","1.064","","","","has coordinates","180252","2020-10-21","18:00:00",""
"7117499","9.22","","9.22","","9.144","","90","","90","","90","","777.317","","","","","","","","","","","","","4","I -4","I -4","82","","K5 (Nb (C N)8)","","- C8 K5 N8 Nb -","- C8 K5 N8 Nb -","- C16 K10 N16 Nb2 -","2","0.25","","Hursthouse, M.B.; Galas, A.M.R.","X-Ray Crystal Structure of K5 (Nb (C N)8) and a Change in the Structure of (Nb (C N)8)(5-) in Solution","Journal of the Chemical Society. Chemical Communications (1972-)","1980","1980","","1167","1168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118156","15.6925","0.0003","15.6925","0.0003","19.1379","0.0009","90","","90","","90","","4712.8","0.3","130","2","130","2","","","","","","","","5","I -4","I -4","82","","","","- C61.5 H64.5 N3.5 O13.5 Zn2 -","- C44 H25.9996 O10 Zn2 -","- C88 H51.9992 O20 Zn4 -","2","0.25","","Alexandr V. Vinogradov; Haldor Zaake-Hertling; Andrey S. Drozdov; Peter Lonnecke; Gulaim A. Seisenbaeva; Vadim G. Kessler; Vladimir V. Vinogradov; Evamarie Hey-Hawkins","Anomalous adsorption of biomolecules on a Zn-based metal-organic framework obtained via a facile room-temperature route","Chem.Commun.","2015","51","","17764","","10.1039/C5cc07808C","","","0.71073","MoKα","","0.0859","0.0592","","","0.1447","0.1603","","","","","","1.016","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7121661","24.9906","0.00014","24.9906","0.00014","20.6467","0.0002","90","","90","","90","","12894.5","0.16","125","","125","","","","","","","","","6","I -4","I -4","82","","","","- C56 H63 F18 N8 P3 Ru -","- C56 H63 F18 N8 P3 Ru -","- C448 H504 F144 N64 P24 Ru8 -","8","1","","Rota Martir, Diego; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Warriner, Stuart L.; Zysman-Colman, Eli","A luminescent [Pd<sub>4</sub>Ru<sub>8</sub>]<sup>24+</sup> supramolecular cage.","Chemical communications (Cambridge, England)","2018","54","47","6016","6019","10.1039/c8cc02104j","","","1.54187","CuKα","","0.0694","0.0664","","","0.1859","0.1906","","","","","","1.047","","","","has coordinates","228331","2020-10-21","18:00:00",""
"7121718","16.0037","0.0004","16.0037","0.0004","16.2833","0.0013","90","","90","","90","","4170.5","0.4","150","0.2","150","0.2","","","","","","","","5","I -4","I -4","82","","","","- C60 H92 N4 O36 Zr6 -","- C60 H92 N4 O36 Zr6 -","- C120 H184 N8 O72 Zr12 -","2","0.25","","Fidelli, Athena M.; Karadeniz, Bahar; Howarth, Ashlee J.; Huskić, Igor; Germann, Luzia S.; Halasz, Ivan; Etter, Martin; Moon, Su-Young; Dinnebier, Robert E.; Stilinović, Vladimir; Farha, Omar K.; Friščić, Tomislav; UŽarević, Krunoslav","Green and rapid mechanosynthesis of high-porosity NU- and UiO-type metal-organic frameworks.","Chemical communications (Cambridge, England)","2018","54","51","6999","7002","10.1039/c8cc03189d","","","0.71073","MoKα","","0.0188","0.0163","","","0.0386","0.0389","","","","","","0.968","","","","has coordinates","228014","2020-10-21","18:00:00",""
"7122486","23.5586","0.0007","23.5586","0.0007","24.6516","0.0009","90","","90","","90","","13681.8","0.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","ST02B","","","- C52 H16 B Cu F16 N4 -","- C52 H16 B Cu F16 N4 -","- C416 H128 B8 Cu8 F128 N32 -","8","1","","Thapa, Sheela; Hettiarachchi, Eshani; Dickie, Diane A.; Rubasinghege, Gayan; Qin, Yang","A charge-separated diamondoid metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","89","12654","12657","10.1039/c8cc07098a","","","0.71073","MoKα","","0.0459","0.0314","","","0.0657","0.0697","","","","","","0.937","","","","has coordinates","228267","2020-10-21","18:00:00",""
"7123694","7.446","0.004","7.446","0.004","10.156","0.006","90","","90","","90","","563.1","0.5","298","","298","","","","","","","","","4","I -4","I -4","82","","","","- K2 O12 P4 Sr -","- K2 O12 P4 Sr -","- K4 O24 P8 Sr2 -","2","0.25","","Bai, Zhiyong; Lin, Zhoubin; Zhang, Lizhen; Liu, Lehui; Huang, Yisheng; Yuan, Feifei","K2SrP4O12: A Deep-UV Transparent Cyclophosphate as Nonlinear Optical Crystal","Chemical Communications","2019","","","","","10.1039/C9CC04192C","","","0.71073","MoKα","","0.0225","0.0212","","","0.0449","0.045","","","","","","0.94","","","","has coordinates","216120","2020-10-21","18:00:00",""
"7123842","26.972","0.0007","26.972","0.0007","14.847","0.0004","90","","90","","90","","10801","0.5","110","","110","","","","","","","","","8","I -4","I -4","82","","","","- C197.25 H148.51 Cl2.51 Co8 F24 N32 O41 S8 -","- C197.252 H148.504 Cl2.504 Co8 F24 N32 O41 S8 -","- C394.504 H297.008 Cl5.008 Co16 F48 N64 O82 S16 -","2","0.25","","Alexandropoulos, Dimitris I.; Dolinar, Brian; Xie, Haomiao; Vignesh, Kuduva; Dunbar, Kim R.","A Co8 Metallacycle Stabilized by Double Anion-π interactions","Chemical Communications","2019","","","","","10.1039/C9CC04151F","","","0.71073","MoKα","","0.0513","0.037","","","0.0749","0.0834","","","","","","1.079","","","","has coordinates,has disorder","216985","2020-10-21","18:00:00",""
"7124307","14.84","0.003","14.84","0.003","35.452","0.008","90","","90","","90","","7807","3","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C120 H152 Cl N23 O32 V12 Yb2 -","- C116 H146 Cl N21 O32 V12 Yb2 -","- C232 H292 Cl2 N42 O64 V24 Yb4 -","2","0.25","","Pütt, Ricarda; Qiu, Xinkai; Kozłowski, Piotr; Gildenast, Hans; Linnenberg, Oliver; Zahn, Stefan; Chiechi, Ryan; Monakhov, Kirill","Self-assembled monolayers of polyoxovanadates with phthalocyaninato lanthanide moieties on gold surfaces","Chemical Communications","2019","","","","","10.1039/C9CC06852J","","","0.71073","MoKα","","0.1102","0.0777","","","0.2085","0.2347","","","","","","1.056","","","","has coordinates,has disorder","219337","2020-10-21","18:00:00",""
"7124777","21.848","0.005","21.848","0.005","19.081","0.005","90","0.005","90","0.005","90","0.005","9108","4","298","2","298.15","","","","","","","","","6","I -4","I -4","82","","","","- C106.5 H221.5 N8.5 O100.5 S4 V24 -","- C72 H120 O100 S4 V24 -","- C144 H240 O200 S8 V48 -","2","0.25","","Zhang, Yu-Teng; Wang, Xin-Long; Li, Shuang-Bao; Gong, Ya-Ru; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Anderson-like alkoxo-polyoxovanadate clusters serving as unprecedented second building units to construct metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","62","9632","9635","10.1039/c6cc04583a","","","0.71069","MoKα","","0.0644","0.0418","","","0.0905","0.0975","","","","","","0.903","","","","has coordinates,has disorder","234216","2020-10-21","18:00:00",""
"7124778","28.983","0.005","28.983","0.005","25.744","0.005","90","","90","","90","","21625","7","298","2","298.15","","","","","","","","","6","I -4","I -4","82","","","","- C183.5 H280.5 N9.5 O101.5 S4 V24 -","- C144 H168 O100 S4 V24 -","- C288 H336 O200 S8 V48 -","2","0.25","","Zhang, Yu-Teng; Wang, Xin-Long; Li, Shuang-Bao; Gong, Ya-Ru; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Anderson-like alkoxo-polyoxovanadate clusters serving as unprecedented second building units to construct metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","62","9632","9635","10.1039/c6cc04583a","","","0.71069","MoKα","","0.115","0.0474","","","0.1017","0.115","","","","","","0.763","","","","has coordinates,has disorder","234216","2020-10-21","18:00:00",""
"7125179","13.1871","0.0002","13.1871","0.0002","11.4268","0.0004","90","","90","","90","","1987.12","0.08","150.03","0.1","150.03","0.1","","","","","","","","5","I -4","I -4","82","","","","- C44 H50 O2 Si2 Sm -","- C44 H50 O2 Si2 Sm -","- C88 H100 O4 Si4 Sm2 -","2","0.25","","Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.","SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.","Chemical communications (Cambridge, England)","2016","52","92","13503","13506","10.1039/c6cc07318b","","x-ray","0.71073","MoKα","","0.0729","0.0729","","","0.1842","0.1842","","","","","","1.101","","","","has coordinates,has disorder","234575","2020-10-21","18:00:00",""
"7125371","16.942","0.005","16.942","0.005","15.489","0.005","90","","90","","90","","4446","2","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C15 H24 N O6 P Zn -","- C15 H24 N O6 P Zn -","- C120 H192 N8 O48 P8 Zn8 -","8","1","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.0297","0.0285","","","0.0708","0.0715","","","","","","1.042","","","","has coordinates","237833","2020-10-21","18:00:00",""
"7125373","16.7211","0.0002","16.7211","0.0002","15.5352","0.0004","90","","90","","90","","4343.57","0.13","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C14 H24 N O8 P Zn -","- C14 H24 N O8 P Zn -","- C112 H192 N8 O64 P8 Zn8 -","8","1","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71073","MoKα","","0.0415","0.0393","","","0.1041","0.1067","","","","","","1.08","","","","has coordinates","237833","2020-10-21","18:00:00",""
"7128380","39.4401","0.0013","39.4401","0.0013","10.415","0.0005","90","","90","","90","","16200.8","1.1","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C128 H168 Co4 N24 O8 -","- C128 H168 Co4 N24 O8 -","- C512 H672 Co16 N96 O32 -","4","0.5","","Bonanno, Nico M.; Watts, Zackery; Mauws, Cole; Patrick, Brian O.; Wiebe, Christopher R.; Shibano, Yuki; Sugisaki, Kenji; Matsuoka, Hideto; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Lemaire, Martin T.","Valence tautomerism in a [2 ×2] Co<sub>4</sub> grid complex containing a ditopic arylazo ligand.","Chemical communications (Cambridge, England)","2021","57","50","6213","6216","10.1039/d1cc01991k","","x-ray","0.71073","MoKα","","0.0926","0.0681","","","0.1588","0.1693","","","","","","1.03","","","","has coordinates,has disorder","267023","2021-07-05","16:18:32",""
"7129656","12.0951","0.0005","12.0951","0.0005","22.4894","0.001","90","","90","","90","","3290","0.2","100","2","100.15","","","","","","","","","4","I -4","I -4","82","","","","- C64 H72 N8 O4 -","- C64 H72 N8 O4 -","- C128 H144 N16 O8 -","2","0.25","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","","0.7288","Synchrotron","","0.0555","0.0534","","","0.149","0.1523","","","","","","1.061","","","","has coordinates","272499","2022-02-03","22:56:28",""
"7130835","13.6104","0.0008","13.6104","0.0008","9.8","0.0005","90","","90","","90","","1815.38","0.18","100","","200","","","","","","","","","5","I -4","I -4","82","TSCl","Tetrakis(4-sulfonylchloridephenyl)methane","","- C25 H16 Cl4 O8 S4 -","- C25 H16 Cl4 O8 S4 -","- C50 H32 Cl8 O16 S8 -","2","0.25","","O'Shaughnessy, Megan; Spackman, Peter A.; Little, Marc; Catalano, Luca; James, Alex Michael; Day, Graeme Matthew; Cooper, Andrew","Targeted design of porous materials without strong, directional interactions","Chemical Communications","2022","","","","","10.1039/D2CC04682B","","x-ray","0.71073","MoKα","","0.0541","0.0483","","","0.1293","0.1345","","","","","","1.095","","","","has coordinates,has disorder","278511","2022-10-10","21:56:27",""
"7131151","25.3366","0.0005","25.3366","0.0005","9.101","0.0003","90","","90","","90","","5842.3","0.3","100","","100","","","","","","","","","4","I -4","I -4","82","","","","- C36 H28 N2 S2 -","- C36 H28 N2 S2 -","- C288 H224 N16 S16 -","8","1","","Harada, Kaho; Hasegawa, Chika; Matsumoto, Taisuke; Sugishita, Hiroki; Kitamura, Chitoshi; Higashibayashi, Shuhei; Hasegawa, Masashi; Suzuki, Shuichi; Kato, Shin-Ichiro","A double-helical S,C-bridged tetraphenyl-<i>para</i>-phenylenediamine and its persistent radical cation.","Chemical communications (Cambridge, England)","2023","59","10","1301","1304","10.1039/d2cc06144a","","x-ray","0.71073","MoKα","","0.0333","0.0296","","","0.0693","0.0704","","","","","","1.053","","","","has coordinates","281314","2023-03-04","17:38:02",""
"7131167","25.5602","0.0001","25.5602","0.0001","9.4309","0.0001","90","","90","","90","","6161.43","0.07","150","0.1","150","0.1","","","","","","","","5","I -4","I -4","82","","","","- C30 H50 Be N2 Si2 -","- C30 H50 Be N2 Si2 -","- C240 H400 Be8 N16 Si16 -","8","1","","Pearce, Kyle G.; Hill, Michael S.; Mahon, Mary F.","Beryllium-centred C-H activation of benzene.","Chemical communications (Cambridge, England)","2023","59","11","1453","1456","10.1039/d2cc06702a","","x-ray","1.54184","CuKα","","0.0224","0.0222","","","0.0598","0.06","","","","","","1.036","","","","has coordinates","283130","2023-05-05","00:38:58",""
"7131469","20.8691","0.0008","20.8691","0.0008","10.3768","0.0006","90","","90","","90","","4519.3","0.4","150","0.1","150","0.1","","","","","","","","5","I -4","I -4","82","","","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C184 H200 N24 O16 S8 -","8","1","","Liu, Xiong-Wei; Chen, Zi-Yue; Liu, Ren-Ming; Zhang, Wen-Hui; Pan, Bo-Wen; Zhou, Jian; Tian, You-Ping; Zhou, Ying; Liu, Xiong-Li","Fischer's base-triggered formal (3+2) cycloadditions with 3-isothiocyanato oxindoles as acceptor-donor synthons.","Chemical communications (Cambridge, England)","2023","59","31","4652","4655","10.1039/d3cc00376k","","x-ray","0.71073","MoKα","","0.0759","0.0649","","","0.1675","0.1789","","","","","","1.08","","","","has coordinates,has disorder","283092","2023-05-05","00:25:50",""
"7131691","26.3367","0.0014","26.3367","0.0014","6.5069","0.0006","90","","90","","90","","4513.3","0.5","99.99","0.1","99.99","0.1","","","","","","","","6","I -4","I -4","82","","","","- C21 H24 B N3 O6 S -","- C21 H24 B N3 O6 S -","- C168 H192 B8 N24 O48 S8 -","8","1","","Miyazaki, Ryuya; Muto, Kei; Yamaguchi, Junichiro","Chloroacetyl boronate <i>N</i>-tosylhydrazone as a versatile synthetic building block.","Chemical communications (Cambridge, England)","2023","59","48","7419","7422","10.1039/d3cc02086j","","x-ray","1.54184","CuKα","","0.1709","0.1006","","","0.2509","0.3332","","","","","","1.041","","","","has coordinates","284872","2023-07-05","09:12:58",""
"7151457","20.021","0.0017","20.021","0.0017","5.685","0.0006","90","","90","","90","","2278.8","0.4","200","2","200","2","","","","","","","","3","I -4","I -4","82","","","","- C11 H14 S2 -","- C11 H14 S2 -","- C88 H112 S16 -","8","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0674","0.0404","","","0.0758","0.0846","","","","","","1.02","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7155896","33.094","0.004","33.094","0.004","4.6401","0.0007","90","","90","","90","","5081.9","1.2","90","","90","","","","","","","","synthesized","4","I -4","I -4","82","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C240 H216 N24 O48 -","8","1","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","","1.54178","CuKα","","0.0529","0.0451","","0.1243","0.1138","0.1243","","","","","","0.919","","","","has coordinates","201396","2020-10-21","18:00:00",""
"7157297","18.5372","0.0006","18.5372","0.0006","10.495","0.0004","90","","90","","90","","3606.4","0.2","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C144 H144 Br8 N8 O32 S8 -","8","1","","Das, Jonali; Borah, Biraj Jyoti; Das, Sajal Kumar","Base-mediated intramolecular one-pot double-cyclization of epoxide-tethered 2-fluorobenzenesulfonamides: an avenue to 1,4-benzoxazine-fused benzothiaoxazepine-1,1-dioxides.","Organic & biomolecular chemistry","2020","18","2","220","224","10.1039/c9ob02377a","","","0.71073","MoKα","","0.0432","0.0292","","","0.0558","0.061","","","","","","1.034","","","","has coordinates","247822","2020-10-21","18:00:00",""
"7157657","31.5358","0.001","31.5358","0.001","5.2684","0.0002","90","","90","","90","","5239.5","0.3","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C224 H256 O64 -","8","1","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0977","0.0514","","","0.136","0.1715","","","","","","0.939","","","","has coordinates","256177","2020-10-21","18:00:00",""
"7158419","11.5858","0.0004","11.5858","0.0004","29.2335","0.0013","90","","90","","90","","3924","0.3","193","2","193","2","","","","","","","synthesis as described","7","I -4","I -4","82","","","","- C72 H108 Cl6 Cu4 F4 N8 O -","- C72 H108 Cl6 Cu4 F4 N8 O -","- C144 H216 Cl12 Cu8 F8 N16 O2 -","2","0.25","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0673","0.0452","","","0.1045","0.1152","","","","","","1.04","","","","has coordinates,has disorder","272749","2022-02-04","19:58:58",""
"7158423","17.1924","0.0002","17.1924","0.0002","8.8177","0.0002","90","","90","","90","","2606.32","0.07","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C15 H12 Se2 -","- C15 H12 Se2 -","- C120 H96 Se16 -","8","1","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0147","0.0146","","","0.0368","0.0369","","","","","","1.065","","","","has coordinates","271875","2022-01-06","21:58:10",""
"7159360","13.566","0.0003","13.566","0.0003","18.1175","0.0006","90","","90","","90","","3334.28","0.15","113.15","","113.15","","","","","","","","","5","I -4","I -4","82","","(1S,2R,2'R,4R)-2'-((4-(trifluoromethyl)phenyl)amino)spiro[bicyclo[2.2.1]heptane-2,1'-cyclohexan]-3-one","","- C19 H22 F3 N O -","- C19 H22 F3 N O -","- C152 H176 F24 N8 O8 -","8","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.0405","0.0368","","","0.083","0.0859","","","","","","1.037","","","","has coordinates","284963","2023-07-05","10:52:40",""
"7201258","13.3852","0.0008","13.3852","0.0008","9.9922","0.0012","90","","90","","90","","1790.2","0.3","291","2","291","2","","","","","","","","6","I -4","I -4","82","","","","- C25 H26 Cu4 I4 N4 O5 -","- C25 H26 Cu4 I4 N4 O5 -","- C50 H52 Cu8 I8 N8 O10 -","2","0.25","","Ren, Shi-Bin; Zhou, Le; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A photoluminescent interpenetrating diamondoid metal‒organic framework based on Cu4I4 clusters with high thermal stability","CrystEngComm","2009","11","9","1834","","10.1039/b906905d","","","0.71073","MoKα","","0.0491","0.0448","","","0.1016","0.1027","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203822","17.398","0.003","17.398","0.003","8.0808","0.0016","90","","90","","90","","2446","0.8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H20 Cu N5 O3 -","- C24 H20 Cu N5 O3 -","- C96 H80 Cu4 N20 O12 -","4","0.5","","Pârvulescu, Andrei N.; Marin, Geanina; Suwinska, Kinga; Kravtsov, Victor Ch.; Andruh, Marius; Pârvulescu, Viorica; Pârvulescu, Vasile I.","A polynuclear complex, {[Cu(bpe)2](NO3)}, with interpenetrated diamondoid networks: synthesis, properties and catalytic behavior","Journal of Materials Chemistry","2005","15","39","4234","","10.1039/b506786c","","","0.71073","MoKα","","0.0794","0.0579","","","0.1698","0.185","","","","","","1.005","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7204402","11.216","0.005","11.216","0.005","8.954","0.005","90","0.005","90","0.005","90","0.005","1126.4","0.9","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C8 H16 Cd K2 O24 Zr -","- C8 H16 Cd K2 O24 Zr -","- C16 H32 Cd2 K4 O48 Zr2 -","2","0.25","","Erwann Jeanneau; Nathalie Audebrand; Daniel Louër","Synthesis, crystal structure and thermal behaviour of CdZrK2(C2O4)4·8H2O","J. Mater. Chem.","2002","12","8","2383","2389","10.1039/b202463m","","","0.71069","MoKα","","0.0228","0.0207","","","0.0459","0.0468","","","","","","1.099","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204626","14.9691","0.0006","14.9691","0.0006","30.3224","0.0017","90","","90","","90","","6794.5","0.5","200","2","200","2","","","","","","","","8","I -4","I -4","82","","","","- C25 H23.5 Br Cl Fe N6 Ni O10.75 -","- C25 H16 Br Cl Fe N6 Ni O10.75 -","- C200 H128 Br8 Cl8 Fe8 N48 Ni8 O86 -","8","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.132","0.0675","","","0.1563","0.1825","","","","","","0.946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204810","22.524","0.003","22.524","0.003","16.721","0.003","90","","90","","90","","8483","2","293","2","293","2","","","","","","","","4","I -4","I -4","82","none","","","- C53 H49 N3 O2 -","- C53 H49 N3 O2 -","- C424 H392 N24 O16 -","8","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0859","0.0555","","","0.1419","0.1568","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205582","11.8876","0.0011","11.8876","0.0011","8.2416","0.0009","90","","90","","90","","1164.7","0.2","223","2","223","2","","","","","","","","4","I -4","I -4","82","","? 1,1'-(2,2-bis((4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)methyl) propane-1,3-diyl)bis(4-(trifluoromethyl)-1H-1,2,3-triazole)?","","- C17 H12 F12 N12 -","- C17 H12 F12 N12 -","- C34 H24 F24 N24 -","2","0.25","","Garg, Sonali; Shreeve, Jean'ne M.","Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials","Journal of Materials Chemistry","2011","21","13","4787","","10.1039/c0jm04229c","","","1.54178","CuKα","","0.0608","0.0607","","","0.1553","0.1554","","","","","","1.046","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7207347","14.1678","0.0007","14.1678","0.0007","7.0565","0.0007","90","","90","","90","","1416.43","0.17","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H16 Cl4 O4 Tl4 -","- C24 H16 Cl4 O4 Tl4 -","- C48 H32 Cl8 O8 Tl8 -","2","0.25","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0322","0.0314","","","0.0724","0.0727","","","","","","1.038","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7208480","7.7455","0.0014","7.7455","0.0014","24.912","0.009","90","","90","","90","","1494.5","0.7","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- C16 H12 Mn O6 -","- C16 Mn O6 -","- C64 Mn4 O24 -","4","0.5","","Gao, Ting; Wang, Xiao-Zhu; Gu, Hao-Xue; Xu, Yan; Shen, Xuan; Zhu, Dun-Ru","Two 3D metal‒organic frameworks with different topologies, thermal stabilities and magnetic properties","CrystEngComm","2012","14","18","5905","","10.1039/c2ce25442e","","","0.71073","MoKα","","0.0556","0.0483","","","0.1272","0.133","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208805","29.61","0.004","29.61","0.004","9.77","0.002","90","","90","","90","","8566","2","298","2","298","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H38 Cu2 N2 O9 P4 -","- C38 H36 Cu2 N2 O9 P4 -","- C304 H288 Cu16 N16 O72 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","1.5418","CuKα","","0.2049","0.0798","","","0.1724","0.226","","","","","","0.991","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208806","29.573","0.003","29.573","0.003","9.736","0.003","90","","90","","90","","8515","3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H36 Cu2 N2 O8 P4 -","- C38 H36 Cu2 N2 O8 P4 -","- C304 H288 Cu16 N16 O64 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","0.71073","MoKα","","0.0631","0.046","","","0.1085","0.1166","","","","","","1.058","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7210117","27.5676","0.0009","27.5676","0.0009","14.3113","0.001","90","","90","","90","","10876.2","0.9","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 Co2 F6 N6 O10 -","- C57 H51 Co2 F6 N6 O10 -","- C456 H408 Co16 F48 N48 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0783","0.0465","","","0.0806","0.0877","","","","","","1.009","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210118","27.4279","0.0014","27.4279","0.0014","14.309","0.0019","90","","90","","90","","10764.5","1.6","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 F6 N6 Ni2 O10 -","- C57 H51 F6 N6 Ni2 O10 -","- C456 H408 F48 N48 Ni16 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.1227","0.0619","","","0.1161","0.1404","","","","","","1.031","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210674","17.1875","0.0002","17.1875","0.0002","12.1717","0.0002","90","","90","","90","","3595.64","0.08","2","2","2","2","","","","","","","AF18","4","I -4","I -4","82","","","","- C36 H72 Mn12 O56 -","- C36 H72 Mn12 O56 -","- C72 H144 Mn24 O112 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","x-ray","0.71073","MoKα","K-L~3~","0.0408","0.0366","","","0.0888","0.0907","","","","","","1.077","","","","has coordinates,has disorder","288544","2023-12-24","01:38:19",""
"7210675","17.235","0.004","17.235","0.004","12.038","0.003","90","","90","","90","","3575.8","1.5","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H64 Mn12 O52 -","- C32 H64 Mn12 O52 -","- C64 H128 Mn24 O104 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0458","0.0434","","0.0372","0.0329","0.0332","","","","","","1.1297","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7210676","16.0506","0.0012","16.0506","0.0012","11.9067","0.0012","90","","90","","90","","3067.4","0.4","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H56 Mn12 O48 -","- C32 H56 Mn12 O48 -","- C64 H112 Mn24 O96 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0234","0.0223","","0.0459","0.045","0.0457","","","","","","0.9668","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7212357","9.0281","0.0004","9.0281","0.0004","24.638","0.0017","90","","90","","90","","2008.16","0.19","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C42 H54 N6 Ni O8 S -","- C42 H54 N6 Ni O8 S -","- C84 H108 N12 Ni2 O16 S2 -","2","0.25","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.0815","0.067","","","0.1566","0.1625","","","","","","1.039","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212628","16.946","0.002","16.946","","14.303","0.002","90","","90","","90","","4107.3","0.8","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C26 H20 N3 P -","- C26 H20 N3 P -","- C208 H160 N24 P8 -","8","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0487","0.0381","","","0.0793","0.0813","","","","","","1","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212831","17.6653","0.0003","17.6653","0.0003","12.7609","0.0003","90","","90","","90","","3982.2","0.13","120","2","120","2","","","","","","","Pepe","4","I -4","I -4","82","","","","- C17 H24 B10 O -","- C17 H24 B10 O -","- C136 H192 B80 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0567","0.0485","","","0.1143","0.1195","","","","","","1.103","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7217865","24.681","0.004","24.681","0.004","10.819","0.002","90","","90","","90","","6590.4","1.9","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C19 H29 In N4 O12 -","- C13 H7 In N2 O8 -","- C104 H56 In8 N16 O64 -","8","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0753","0.0702","","","0.1936","0.197","","","","","","1.083","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7218184","7.1489","0.0006","7.1489","0.0006","10.6653","0.0017","90","","90","","90","","545.07","0.11","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0509","0.0358","","","0.0763","0.0832","","","","","","1.068","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218185","7.1449","0.0011","7.1449","0.0011","10.633","0.002","90","","90","","90","","542.81","0.16","180","2","180","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0879","0.042","","","0.0696","0.0834","","","","","","0.993","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7219138","5.151716","0.000065","5.151716","0.000065","11.26442","0.00016","90","","90","","90","","298.96","0.007","300","","300","","","","","","","","","6","I -4","I -4","82","","","","- Ag Er0.02 Li Mo4 O16 Yb1.98 -","- Ag Er0.02 Li Mo4 O16 Yb1.98 -","- Ag Er0.02 Li Mo4 O16 Yb1.98 -","1","0.125","","Cheng, Fangrui; Xia, Zhiguo; Jing, Xiping; Wang, Ziyuan","Li/Ag ratio dependent structure and upconversion photoluminescence of LixAg1-xYb0.99(MoO4)2:0.01Er(3+) phosphors.","Physical chemistry chemical physics : PCCP","2015","17","5","3689","3696","10.1039/c4cp03950e","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.91","1.993","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7222220","7.9177","","7.9177","","13.5571","","90","","90","","90","","849.894","","","","","","","","","","","","","4","I -4","I -4","82","","Ba La2 Co S5","","- Ba Co La2 S5 -","- Ba Co La2 S5 -","- Ba4 Co4 La8 S20 -","4","0.5","","Wakeshima, M.; Hinatsu, Y.; Ishii, Y.; Shimojo, Y.; Morii, Y.","Crystal structures and magnetic properties of cobalt chalcogenides Ba La2 Co (S1-x Sex)5 (0.0 <= x <= 0.4)","Journal of Materials Chemistry","2002","12","","631","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222755","5.676","","5.676","","10.76","","90","","90","","90","","346.655","","","","","","","","","","","","","3","I -4","I -4","82","","Mn Ga2 Se4","","- Ga2 Mn Se4 -","- Ga2 Mn Se4 -","- Ga4 Mn2 Se8 -","2","0.25","","Range, K.J.; Huebner, H.","Mn Ga2 Se4 und Mn Ga2 Te4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1976","31","","886","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7224958","16.098","0.0009","16.098","0.0009","10.1703","0.0011","90","","90","","90","","2635.6","0.4","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- Cs2 O10 W3 -","- Cs2.727 O13.638 W4.0921 -","- Cs21.816 O109.104 W32.7368 -","8","1","","Zhang, Min; Lian, Zhipeng; Wang, Ying; Pan, Shilie","Nonlinear optical and self-activated luminescent properties of A2W3O10(A = Rb and Cs)","RSC Adv.","2016","6","45","39234","","10.1039/C6RA03407A","","","0.71073","MoKα","","0.0484","0.0466","","","0.115","0.1167","","","","","","1.089","","","","has coordinates","182219","2020-10-21","18:00:00",""
"7224959","15.9516","0.0009","15.9516","0.0009","10.0565","0.0011","90","","90","","90","","2558.9","0.3","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- O10 Rb2 W3 -","- O13.6379 Rb2.72703 W4.0917 -","- O109.103 Rb21.8162 W32.7336 -","8","1","","Zhang, Min; Lian, Zhipeng; Wang, Ying; Pan, Shilie","Nonlinear optical and self-activated luminescent properties of A2W3O10(A = Rb and Cs)","RSC Adv.","2016","6","45","39234","","10.1039/C6RA03407A","","","0.71073","MoKα","","0.0534","0.0488","","","0.1136","0.1174","","","","","","1.041","","","","has coordinates","182219","2020-10-21","18:00:00",""
"7225398","11.527","0.004","11.527","0.004","19.263","0.014","90","","90","","90","","2560","2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H17 Co0.25 N2.25 O -","- C14 H17 Co0.25 N2.25 O -","- C112 H136 Co2 N18 O8 -","8","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0683","0.0524","","","0.1433","0.1604","","","","","","1.028","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7227251","9.324","0.002","9.324","0.002","7.1369","0.0018","90","","90","","90","","620.5","0.2","223","","223","","","","","","","","","6","I -4","I -4","82","","","","- C8 H20 B0.504 F4.992 N P0.496 -","- C8 H20 B0.504 F4.992 N P0.496 -","- C16 H40 B1.008 F9.984 N2 P0.992 -","2","0.25","","Matsumoto, Kazuhiko; Nonaka, Ryojun; Wang, Yushen; Veryasov, Gleb; Hagiwara, Rika","Formation of a solid solution between [N(C2H5)4][BF4] and [N(C2H5)4][PF6] in crystal and plastic crystal phases.","Physical chemistry chemical physics : PCCP","2017","19","3","2053","2059","10.1039/c6cp07992j","","","0.71073","MoKα","","0.0656","0.0649","","","0.188","0.1892","","","","","","1.109","","","","has coordinates,has disorder","191763","2020-10-21","18:00:00",""
"7227440","18.401","0.005","18.401","0.005","11.347","0.003","90","","90","","90","","3842.1","1.8","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C84 H64 F12 N4 O8 Zn4 -","- C84 H64 F12 N4 O8 Zn4 -","- C168 H128 F24 N8 O16 Zn8 -","2","0.25","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0573","0.0554","","","0.1313","0.133","","","","","","1.109","","","","has coordinates","190580","2020-10-21","18:00:00",""
"7227441","13.5944","0.0005","13.5944","0.0005","22.3469","0.0009","90","","90","","90","","4129.9","0.3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C94 H75.18 F12 N4 O9.59 Zn4 -","- C94 H72 F12 N4 O9.588 Zn4 -","- C188 H144 F24 N8 O19.176 Zn8 -","2","0.25","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0362","0.0318","","","0.0797","0.082","","","","","","1.041","","","","has coordinates,has disorder","190580","2020-10-21","18:00:00",""
"7228358","8.767","0.003","8.767","0.003","15.956","0.003","90","","90","","90","","1226.4","0.6","","","293","","","","","","","","","6","I -4","I -4","82","","","","- Ag Ge4 H4 O2 Rb3 Se10 -","- Ag Ge4 O2 Rb3 Se10 -","- Ag2 Ge8 O4 Rb6 Se20 -","2","0.25","","Loose, Anja; Sheldrick, William S.","Quaternary Selenidogermanates(IV) A3[AgGe4Se10].2H2O and A2[MnGe4Se10].3H2O (A = Rb, Cs) with Open Framework Structures","Zeitschrift fur Naturforschung B","1997","52","","687","602","10.1515/znb-1997-0604","","x-ray","0.71069","MoKα","","","0.036","","","0.079","","","","","","","0.841","","","","has coordinates","197150","2020-10-21","18:00:00",""
"7228359","8.956","0.001","8.956","0.001","16.036","0.003","90","","90","","90","","1286.2","0.3","","","293","","","","","","","","","6","I -4","I -4","82","","","","- Ag Cs3 Ge4 H4 O2 Se10 -","- Ag Cs3 Ge4 O2 Se10 -","- Ag2 Cs6 Ge8 O4 Se20 -","2","0.25","","Loose, Anja; Sheldrick, William S.","Quaternary Selenidogermanates(IV) A3[AgGe4Se10].2H2O and A2[MnGe4Se10].3H2O (A = Rb, Cs) with Open Framework Structures","Zeitschrift fur Naturforschung B","1997","52","","687","602","10.1515/znb-1997-0604","","x-ray","0.71069","MoKα","","","0.057","","","0.139","","","","","","","0.996","","","","has coordinates","197151","2020-10-21","18:00:00",""
"7228360","8.886","0.003","8.886","0.003","15.433","0.008","90","","90","","90","","1218.6","0.9","","","293","","","","","","","","","6","I -4","I -4","82","","","","- Ge4 H6 Mn O3 Rb2 Se10 -","- Ge4 Mn O3.02 Rb1.98 Se10 -","- Ge8 Mn2 O6.04 Rb3.96 Se20 -","2","0.25","","Loose, Anja; Sheldrick, William S.","Quaternary Selenidogermanates(IV) A3[AgGe4Se10].2H2O and A2[MnGe4Se10].3H2O (A = Rb, Cs) with Open Framework Structures","Zeitschrift fur Naturforschung B","1997","52","","687","602","10.1515/znb-1997-0604","","x-ray","0.71069","MoKα","","","0.071","","","0.169","","","","","","","0.963","","","","has coordinates","197152","2020-10-21","18:00:00",""
"7228361","8.859","0.001","8.859","0.001","15.448","0.003","90","","90","","90","","1212.4","0.3","","","293","","","","","","","","","6","I -4","I -4","82","","","","- Cs2 Ge4 H6 Mn O3 Se10 -","- Cs2 Ge4 Mn O3 Se10 -","- Cs4 Ge8 Mn2 O6 Se20 -","2","0.25","","Loose, Anja; Sheldrick, William S.","Quaternary Selenidogermanates(IV) A3[AgGe4Se10].2H2O and A2[MnGe4Se10].3H2O (A = Rb, Cs) with Open Framework Structures","Zeitschrift fur Naturforschung B","1997","52","","687","602","10.1515/znb-1997-0604","","x-ray","0.71069","MoKα","","","0.045","","","0.113","","","","","","","1.01","","","","has coordinates","197153","2020-10-21","18:00:00",""
"7229370","7.5982","0.0012","7.5982","0.0012","13.294","0.003","90","","90","","90","","767.5","0.2","296","2","296","","","","","","","","","4","I -4","I -4","82","","ABTOX","","- C2 H8 N10 O2 -","- C2 H8 N10 O2 -","- C8 H32 N40 O8 -","4","0.5","","Jia, Jianhui; Liu, Yu; Huang, Shiliang; Xu, Jinjiang; Li, Shichun; Zhang, Haobin; Cao, Xiong","Crystal structure transformation and step-by-step thermal decomposition behavior of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","RSC Adv.","2017","7","77","49105","","10.1039/C7RA08816G","","","0.71073","MoKα","","0.0539","0.0389","","","0.0967","0.1068","","","","","","1.078","","","","has coordinates,has disorder","202243","2020-10-21","18:00:00",""
"7230541","21.287","0.003","21.287","0.003","6.9924","0.001","90","","90","","90","","3168.5","0.8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H8 O27 P4 U4 -","- C12 H8 O27 P4 U4 -","- C48 H32 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0456","0.0399","","","0.0964","0.0988","","","","","","1.062","","","","has coordinates,has disorder","229104","2020-10-21","18:00:00",""
"7230542","21.114","0.006","21.114","0.006","6.941","0.002","90","","90","","90","","3094.3","1.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 O27 P4 U4 -","- C12 H16 O27 P4 U4 -","- C48 H64 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0405","0.0351","","","0.0776","0.0798","","","","","","1.057","","","","has coordinates","229104","2020-10-21","18:00:00",""
"7230906","28.6436","0.0009","28.6436","0.0009","13.5364","0.0005","90","","90","","90","","11106","0.6","100","","100","","","","","","","","","7","I -4","I -4","82","","","","- C53 H44 Cl F6 N4 P3 Ru -","- C53 H44 Cl F6 N4 P3 Ru -","- C424 H352 Cl8 F48 N32 P24 Ru8 -","8","1","","Chakrabarti, Kaushik; Mishra, Anju; Panja, Dibyajyoti; Paul, Bhaskar; Kundu, Sabuj","Selective synthesis of mono- and di-methylated amines using methanol and sodium azide as C1 and N1 sources","Green Chemistry","2018","20","14","3339","","10.1039/C8GC00863A","","","0.71073","MoKα","","0.1039","0.0714","","","0.1913","0.2157","","","","","","1.119","","","","has coordinates","230104","2020-10-21","18:00:00",""
"7230913","30.059","0.002","30.059","0.002","5.9369","0.0006","90","","90","","90","","5364.2","0.7","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C3.29 H2.12 Co0.24 N0.24 O1.18 -","- C3.29412 H2.11765 Co0.235294 N0.235294 O1.17647 -","- C224 H144 Co16 N16 O80 -","68","8.5","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.055","0.0389","","","0.0811","0.086","","","","","","1.009","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230914","30.168","0.003","30.168","0.003","6.0186","0.0008","90","","90","","90","","5477.6","1.1","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C3.2 H2.06 Mn0.23 N0.23 O1.14 -","- C3.2 H2.05714 Mn0.228571 N0.228571 O1.14286 -","- C224 H144 Mn16 N16 O80 -","70","8.75","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0864","0.0623","","","0.161","0.174","","","","","","0.995","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230920","22.6151","0.0005","22.6151","0.0005","6.5646","0.0003","90","","90","","90","","3357.42","0.19","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0576","0.0449","","","0.0793","0.0858","","","","","","1.007","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230921","22.2989","0.0005","22.2989","0.0005","6.6471","0.0002","90","","90","","90","","3305.21","0.14","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0309","0.0275","","","0.0537","0.0554","","","","","","1.017","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230922","22.5083","0.0008","22.5083","0.0008","6.5855","0.0004","90","","90","","90","","3336.4","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0709","0.0532","","","0.0888","0.0982","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230923","22.6482","0.0005","22.6482","0.0005","6.5591","0.0002","90","","90","","90","","3364.43","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0498","0.0453","","","0.1083","0.1121","","","","","","1.053","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230924","22.5635","0.0005","22.5635","0.0005","6.5794","0.0002","90","","90","","90","","3349.65","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0529","0.0428","","","0.0762","0.0824","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230925","22.7194","0.0019","22.7194","0.0019","6.5611","0.0008","90","","90","","90","","3386.7","0.6","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0511","0.043","","","0.0936","0.0975","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230926","22.7012","0.0019","22.7012","0.0019","6.5603","0.0009","90","","90","","90","","3380.8","0.6","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1497","0.0957","","","0.188","0.2319","","","","","","1.054","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230927","22.6722","0.0006","22.6722","0.0006","6.5648","0.0003","90","","90","","90","","3374.5","0.2","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.062","0.0449","","","0.0709","0.0769","","","","","","1.028","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230928","22.738","0.002","22.738","0.002","6.5434","0.0009","90","","90","","90","","3383","0.6","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0774","0.0641","","","0.1559","0.1663","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230929","22.3673","0.0005","22.3673","0.0005","6.6855","0.0002","90","","90","","90","","3344.73","0.15","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.045","0.0376","","","0.0782","0.0808","","","","","","1.064","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230930","22.37","0.0006","22.37","0.0006","6.6942","0.0003","90","","90","","90","","3349.9","0.2","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0476","0.0388","","","0.0745","0.0776","","","","","","1.066","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230931","22.4172","0.0008","22.4172","0.0008","6.6766","0.0005","90","","90","","90","","3355.2","0.3","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0522","0.0394","","","0.0567","0.0611","","","","","","0.997","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230932","22.739","0.002","22.739","0.002","6.5506","0.0008","90","","90","","90","","3387.1","0.6","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0555","0.0443","","","0.0919","0.0966","","","","","","1.021","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230933","22.3068","0.0003","22.3068","0.0003","6.6532","0.0002","90","","90","","90","","3310.59","0.12","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0346","0.0283","","","0.0428","0.0448","","","","","","0.996","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230934","22.358","0.002","22.358","0.002","6.6738","0.0014","90","","90","","90","","3336.1","0.8","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0957","0.0786","","","0.1671","0.1811","","","","","","1.053","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230935","22.543","0.002","22.543","0.002","6.6249","0.0012","90","","90","","90","","3366.7","0.7","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1381","0.1062","","","0.2114","0.2401","","","","","","1.046","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230936","22.3926","0.0019","22.3926","0.0019","6.6569","0.0013","90","","90","","90","","3338","0.8","240","2","240","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1158","0.0883","","","0.1673","0.1896","","","","","","1.042","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230937","22.4161","0.0005","22.4161","0.0005","6.6101","0.0003","90","","90","","90","","3321.45","0.18","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0566","0.0456","","","0.0818","0.0881","","","","","","1.038","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230938","22.6358","0.0009","22.6358","0.0009","6.5964","0.0004","90","","90","","90","","3379.9","0.3","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0549","0.0411","","","0.0559","0.0608","","","","","","0.978","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230939","22.5343","0.0009","22.5343","0.0009","6.6415","0.0005","90","","90","","90","","3372.5","0.3","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0543","0.0416","","","0.06","0.0643","","","","","","0.981","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230940","22.7219","0.0011","22.7219","0.0011","6.589","0.0006","90","","90","","90","","3401.8","0.4","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0871","0.0635","","","0.0985","0.1109","","","","","","1.024","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230941","22.581","0.002","22.581","0.002","6.665","0.0014","90","","90","","90","","3398.5","0.8","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1282","0.0934","","","0.1922","0.2233","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7231069","19.8185","0.0005","19.8185","0.0005","26.1867","0.0006","90","","90","","90","","10285.4","0.4","99.96","","99.96","","","","","","","","","5","I -4","I -4","82","","","","- As4 Na5.35 O182.4 U2 W40 -","- As4 Na5.35 O182.4 U2 W40 -","- As8 Na10.7 O364.8 U4 W80 -","2","0.25","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","","0.71073","MoKα","","0.0743","0.0457","","","0.0917","0.1017","","","","","","0.994","","","","has coordinates","208810","2020-10-21","18:00:00",""
"7233732","21.982","0.003","21.982","0.003","7.5974","0.0002","90","","90","","90","","3671.1","0.7","293","2","293","2","","","","","","","","6","I -4","I -4","82","","bis(tetrakis(Pyridine)-silver(I)) octakis(bis(pyridine)-silver(i)) decapermanganate","","- C60 H60 Ag5 Mn5 N12 O20 -","- C60 H60 Ag5 Mn5 N12 O20 -","- C120 H120 Ag10 Mn10 N24 O40 -","2","0.25","","Kovács, Gréta Bettina; May, Nóra V.; Bombicz, Petra Alexandra; Klébert, Szilvia; Németh, Péter; Menyhárd, Alfréd; Novodárszki, Gyula; Petrusevski, Vladimir; Franguelli, Fernanda Paiva; Magyari, József; Béres, Kende; Szilágyi, Imre Miklós; Kótai, László","An unknown component of a selective and mild oxidant: structure and oxidative ability of a double salt-type complex having κ1O-coordinated permanganate anions and three- and four-fold coordinated silver cations","RSC Advances","2019","9","49","28387","","10.1039/C9RA03230D","","","0.71073","MoKα","","0.0441","0.0367","","","0.0655","0.0675","","","","","","1.08","","","","has coordinates","218120","2020-10-21","18:00:00",""
"7234824","18.517","0.003","18.517","0.003","7.2125","0.0014","90","","90","","90","","2473","0.7","153","2","153","2","","","","","","","","4","I -4","I -4","82","","","","- C32 H21 N6 O0.5 -","- C32 H20 N6 O0.5 -","- C128 H80 N24 O2 -","4","0.5","","Jianghong Tan; Bo Wang; Zhi Huang; Xialei Lv; Wei Yi; Shaoqing Zhuang; Lei Wang","Design, synthesis, characterization and application of a novel electron-deficient moiety 1,5-diazacarbazole in high triplet energy host materials","Journal of Materials Chemistry C","2016","4","","5222","5230","10.1039/C6TC01266C","","","0.71073","MoKα","","0.0772","0.0542","","","0.1309","0.142","","","","","","1.02","","","","has coordinates","220360","2020-10-21","18:00:00",""
"7234997","18.247","0.002","18.247","0.002","29.034","0.003","90","","90","","90","","9667","1.8","99.99","","99.99","","","","","","","","","5","I -4","I -4","82","","","","- C88 H28 Cl8 O124 U14 -","- C88 H28 Cl8 O124 U14 -","- C176 H56 Cl16 O248 U28 -","2","0.25","","Dufaye, Maxime; Martin, Nicolas P.; Duval, Sylvain; Volkringer, Christophe; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Time-controlled synthesis of the 3D coordination polymer U(1,2,3-Hbtc)2 followed by the formation of molecular poly-oxo cluster {U14} containing hemimellitate uranium(iv)","RSC Advances","2019","9","40","22795","","10.1039/C9RA03707A","","x-ray","0.71073","MoKα","","0.0835","0.0541","","","0.1327","0.1551","","","","","","1.048","","","","has coordinates","223460","2020-10-21","18:00:00",""
"7235800","12.8897","0.0005","12.8897","0.0005","16.4462","0.0012","90","","90","","90","","2732.4","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H24 O21 S2 Tb2 -","- C14 H24 O21 S2 Tb2 -","- C56 H96 O84 S8 Tb8 -","4","0.5","","Dong, Xi-Yan; Wang, Rui; Wang, Jun-Zhe; Zang, Shuang-Quan; Mak, Thomas C. W.","Highly selective Fe3+ sensing and proton conduction in a water-stable sulfonate‒carboxylate Tb‒organic-framework","Journal of Materials Chemistry A","2015","3","2","641","","10.1039/C4TA04421E","","","0.71073","MoKα","","0.0277","0.0265","","","0.0503","0.0513","","","","","","1.016","","","","has coordinates","233335","2020-10-21","18:00:00",""
"7236132","14.4998","0.0003","14.4998","0.0003","14.6335","0.0006","90","","90","","90","","3076.61","0.15","110","","110","","","","","","","","","4","I -4","I -4","82","","","","- C61 H60 Ge8 O16 -","- C61 H60 Ge8 O16 -","- C122 H120 Ge16 O32 -","2","0.25","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.0235","0.0219","","","0.0458","0.0463","","","","","","1.041","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236417","17.4696","0.0005","17.4696","0.0005","33.7023","0.0009","90","","90","","90","","10285.5","0.5","100","10","100","10","","","","","","","","5","I -4","I -4","82","","","","- C36 H24 Cu3 N9 O6 -","- C36 H24 Cu3 N9 O6 -","- C288 H192 Cu24 N72 O48 -","8","1","","Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang","Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity","Journal of Materials Chemistry A","2017","5","17","7816","","10.1039/C6TA11242K","","x-ray","1.54184","CuKα","","0.1395","0.0813","","","0.2131","0.3106","","","","","","1.127","","","","has coordinates","235493","2020-10-21","18:00:00",""
"7236418","17.2079","0.0003","17.2079","0.0003","34.0361","0.001","90","","90","","90","","10078.5","0.4","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C36 H24 Cu3 N9 O6 -","- C36 H24 Cu3 N9 O6 -","- C288 H192 Cu24 N72 O48 -","8","1","","Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang","Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity","Journal of Materials Chemistry A","2017","5","17","7816","","10.1039/C6TA11242K","","","1.54184","CuKα","","0.1121","0.0561","","","0.1215","0.1427","","","","","","1.013","","","","has coordinates","235493","2020-10-21","18:00:00",""
"7236419","17.3245","0.0003","17.3245","0.0003","33.9396","0.0006","90","","90","","90","","10186.6","0.3","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C38.02 H25.15 Cu3 N9.58 O6.29 -","- C38.0181 H25.1532 Cu3 N9.5766 O6.2883 -","- C304.145 H201.226 Cu24 N76.6128 O50.3064 -","8","1","","Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang","Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity","Journal of Materials Chemistry A","2017","5","17","7816","","10.1039/C6TA11242K","","","1.54184","CuKα","","0.0844","0.0611","","","0.1618","0.179","","","","","","1.033","","","","has coordinates","235493","2020-10-21","18:00:00",""
"7237678","17.2729","0.0004","17.2729","0.0004","16.1689","0.0006","90","","90","","90","","4824","0.2","100","2","100","2","","","","","","","","5","I -4","I -4","82","PCM-66","","","- C28 H16 In O8 P -","- C28 H16 In O8 P -","- C224 H128 In8 O64 P8 -","8","1","","Reynolds, Joseph E.; Bohnsack, Alisha M.; Kristek, David J.; Gutiérrez-Alejandre, Aída; Dunning, Samuel G.; Waggoner, Nolan W.; Sikma, R. Eric; Ibarra, Ilich A.; Humphrey, Simon M.","Phosphonium zwitterions for lighter and chemically-robust MOFs: highly reversible H2S capture and solvent-triggered release","Journal of Materials Chemistry A","2019","7","28","16842","","10.1039/C9TA05444H","","x-ray","1.54184","CuKα","","0.0526","0.0438","","","0.1147","0.1345","","","","","","1.005","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7239596","24.7106","0.0015","24.7106","0.0015","23.2547","0.0014","90","","90","","90","","14199.6","1.5","100","","100","","","","","","","","","7","I -4","I -4","82","","","","- C13.68 H13.68 As4 Ce24 Na2 O214 W36 -","- C13.68 H13.68 As4 Ce24 Na2 O294 W36 -","- C27.36 H27.36 As8 Ce48 Na4 O588 W72 -","2","0.25","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.042","0.0326","","","0.067","0.0712","","","","","","1.019","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239740","7.4239","0.0014","7.4239","0.0014","13.169","0.003","90","","90","","90","","725.8","0.3","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co0.69 Cs1.29 Ge1.81 O5 -","- Co0.691 Cs1.2858 Ge1.809 O5 -","- Co2.764 Cs5.1432 Ge7.236 O20 -","4","0.5","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0217","0.0206","","","0.0514","0.0518","","","","","","1.062","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239743","7.354","0.0006","7.354","0.0006","13.1122","0.0011","90","","90","","90","","709.13","0.1","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co Cs2 Ge4 O10 -","- Co Cs2 Ge4 O10 -","- Co2 Cs4 Ge8 O20 -","2","0.25","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0248","0.0235","","","0.0651","0.0661","","","","","","1.221","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7241349","13.8461","0.0003","13.8461","0.0003","23.381","0.001","90","","90","","90","","4482.5","0.2","273","2","273.15","","","","","","","","","5","I -4","I -4","82","","","","- C13 H12 N13 O3.5 Zn2 -","- C13 H5 N13 O1.5 Zn2 -","- C104 H40 N104 O12 Zn16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0836","0.0829","","","0.2219","0.224","","","","","","1.038","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7244087","19.4398","0.0005","19.4398","0.0005","5.0577","0.0001","90","","90","","90","","1911.33","0.08","200","2","200","2","","","","","","","","5","I -4","I -4","82","","1-(4-fluorophenyl)-3-iodoprop-2-yn-1-one","","- C9 H4 F I O -","- C9 H4 F I O -","- C72 H32 F8 I8 O8 -","8","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0398","0.039","","","0.1007","0.1014","","","","","","1.028","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7248274","23.2834","0.0009","23.2834","0.0009","12.4263","0.0006","90","","90","","90","","6736.5","0.5","296","2","296","2","","","","","","","","4","I -4","I -4","82","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C44 H35.33 Cl0.67 O2 -","- C43.9998 H35.3332 Cl0.6666 O2 -","- C351.998 H282.666 Cl5.3328 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0804","0.0566","","","0.1569","0.1771","","","","","","1.038","","","","has coordinates,has disorder","290884","2024-04-04","23:06:20",""
"7248506","13.4285","0.0002","13.4285","0.0002","9.4154","0.0002","90","","90","","90","","1697.83","0.05","100","0.1","100","0.1","","","","","","","","6","I -4","I -4","82","","","","- C20 H12 Al F36 O4 P -","- C20 H12 Al F36 O4 P -","- C40 H24 Al2 F72 O8 P2 -","2","0.25","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0374","0.037","","","0.0999","0.1003","","","","","","1.0428","","","","has coordinates","291322","2024-04-22","23:07:16",""
"7700394","18.18","0.004","18.18","0.004","16.36","0.004","90","","90","","90","","5407","2","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C64 H76 Fe10 N16 O48 -","- C64 H76 Fe10 N16 O48 -","- C128 H152 Fe20 N32 O96 -","2","0.25","","Mayans, J.; Roc, L.; Font-Bardia, M; Escuer, A.","Decanuclear Fe<sup>III</sup> clusters with hemiacetal ligands: a new {M<sub>10</sub>(μ<sub>3</sub>-O)<sub>8</sub>} cluster core.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13139","13142","10.1039/c9dt01568j","","","0.71073","MoKα","","0.1127","0.0782","","","0.1964","0.2309","","","","","","1.169","","","","has coordinates","224499","2020-10-21","18:00:00",""
"7700886","7.429","0.004","7.429","0.004","10.149","0.008","90","","90","","90","","560.1","0.6","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- K2 O12 P4 Sr -","- K2 O12 P4 Sr -","- K4 O24 P8 Sr2 -","2","0.25","","Sun, Jun; Wu, Hongping; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie","Structural insights into three phosphates with distinct polyanionic configurations.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13406","13412","10.1039/c9dt02842k","","","0.71073","MoKα","","0.0224","0.0219","","","0.0508","0.051","","","","","","0.905","","","","has coordinates","224494","2020-10-21","18:00:00",""
"7701194","18.1592","0.0016","18.1592","0.0016","13.5259","0.0012","90","","90","","90","","4460.3","0.7","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H21 Cl N2 Pt -","- C28 H21 Cl N2 Pt -","- C224 H168 Cl8 N16 Pt8 -","8","1","","Vivancos, Ángela; Poveda, Dionisio; Muñoz, Alonso; Moreno, Julia; Bautista, Delia; González-Herrero, Pablo","Selective synthesis, reactivity and luminescence of unsymmetrical bis-cyclometalated Pt(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14367","14382","10.1039/c9dt02431j","","","0.71073","MoKα","","0.0128","0.0115","","","0.0241","0.0243","","","","","","1.078","","","","has coordinates","224566","2020-10-21","18:00:00",""
"7702652","15.379","0.008","15.379","0.008","14.41","0.003","90","","90","","90","","3408","3","233","","233","","","","","","","","?","6","I -4","I -4","82","","","","- C32 H100 Al4 Cl4 O32 P4 -","- C32 H80 Al4 Cl4 O32 P4 -","- C64 H160 Al8 Cl8 O64 P8 -","2","0.25","","Azaïs, Thierry; Bonhomme, Christian; Bonhomme-Coury, Laure; Vaissermann, Jacqueline; Millot, Yannick; Man, Pascal P.; Bertani, Philippe; Hirschinger, Jérôme; Livage, Jacques","Cubane shaped clusters, precursors for aluminophosphate frameworks: a solid state multinuclear NMR study, in time and frequency domains","Journal of the Chemical Society, Dalton Transactions","2002","","4","609","","10.1039/b104774b","","","0.71069","MoKα","","","0.0623","","","0.0749","","","","","1.1","1.1","","","","","has coordinates","255783","2020-10-21","18:00:00",""
"7702653","15.425","0.004","15.425","0.006","14.712","0.004","90","","90","","90","","3500.4","1.9","163","","163","","","","","","","","?","6","I -4","I -4","82","","","","- C32 H100 Al4 Br4 O32 P4 -","- C32 H80 Al4 Br4 O32 P4 -","- C64 H160 Al8 Br8 O64 P8 -","2","0.25","","Azaïs, Thierry; Bonhomme, Christian; Bonhomme-Coury, Laure; Vaissermann, Jacqueline; Millot, Yannick; Man, Pascal P.; Bertani, Philippe; Hirschinger, Jérôme; Livage, Jacques","Cubane shaped clusters, precursors for aluminophosphate frameworks: a solid state multinuclear NMR study, in time and frequency domains","Journal of the Chemical Society, Dalton Transactions","2002","","4","609","","10.1039/b104774b","","","0.71069","MoKα","","","0.0589","","","0.0726","","","","","1.0369","1.0369","","","","","has coordinates","255783","2020-10-21","18:00:00",""
"7702949","16.4495","0.0007","16.4495","0.0007","12.68","0.0005","90","","90","","90","","3431","0.2","173","","173","","","","","","","","","7","I -4","I -4","82","","tetra-(μ^3^-iodo)-tetrakis(10-(p-fluorophenyl)phenoxarsine)copper(I)","","- C72 H48 As4 Cu4 F4 I4 O4 -","- C72 H48 As4 Cu4 F4 I4 O4 -","- C144 H96 As8 Cu8 F8 I8 O8 -","2","0.25","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0519","0.0458","","","0.0982","0.1002","","","","","","1.202","","","","has coordinates,has disorder","247730","2020-10-21","18:00:00",""
"7703565","33.394","0.003","33.394","0.003","12.337","0.0009","90","","90","","90","","13758","2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C79 H88 B2 K2 N4 O2 -","- C79 H88 B2 K2 N4 O2 -","- C632 H704 B16 K16 N32 O16 -","8","1","","Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Kozlova, Ekaterina A.; Fedushkin, Igor L.","Alkali metal reduction of 1,3,2-diazaborol and 1,3,2-diazagermol derivatives based on 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2941","2946","10.1039/c9dt04652f","","","0.71073","MoKα","","0.0959","0.0658","","","0.1604","0.1753","","","","","","1.018","","","","has coordinates,has disorder","248982","2020-10-21","18:00:00",""
"7704043","28.638","0.001","28.638","0.001","13.096","0.001","90","","90","","90","","10740.5","1","293","2","293","2","","","","","","","synthesis as described","7","I -4","I -4","82","cisdppeLAP","","","- C53 H50 F6 N2 O3.5 P3 Ru -","- C53 H50 F6 N2 O3.5 P3 Ru -","- C424 H400 F48 N16 O28 P24 Ru8 -","8","1","","Oliveira, Katia M.; Peterson, Erica J.; Carroccia, Murilo C.; Cominetti, Marcia R.; Deflon, Victor M.; Farrell, Nicholas P.; Batista, Alzir A.; Correa, Rodrigo S.","Ru(II)-Naphthoquinone complexes with high selectivity for triple-negative breast cancer.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16193","16203","10.1039/d0dt01091j","","x-ray","0.71073","MoKα","","0.0701","0.0449","","","0.1071","0.1142","","","","","","0.935","","","","has coordinates","260785","2021-01-07","06:30:17",""
"7704730","18.1602","0.0006","18.1602","0.0006","10.5963","0.0011","90","","90","","90","","3494.6","0.4","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- B20 Cu4 H8 O54 Rb4 -","- B20 Cu4 H8 O54 Rb4 -","- B40 Cu8 H16 O108 Rb8 -","2","0.25","","Liu, Wen-Fang; Qiu, Qi-Ming; Zhang, Mo; Su, Zhao-Min; An, Qingqing; Lv, Hongjin; Jia, Zhiyu; Yang, Guo-Yu","Two new Cu-based borate catalysts with cubic supramolecular cages for efficient catalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10156","10161","10.1039/d0dt01994a","","","0.71073","MoKα","","0.0842","0.0739","","","0.2063","0.2213","","","","","","1.051","","","","has coordinates,has disorder","254951","2020-10-21","18:00:00",""
"7704731","18.1973","0.0011","18.1973","0.0011","10.6676","0.0008","90","","90","","90","","3532.5","0.4","299","2","299.15","","","","","","","","","6","I -4","I -4","82","","","","- B5 Cu H12.5 K0.54 Na0.47 O15.5 -","- B5 Cu H8 K0.54 Na0.46 O13.25 -","- B40 Cu8 H64 K4.32 Na3.68 O106 -","8","1","","Liu, Wen-Fang; Qiu, Qi-Ming; Zhang, Mo; Su, Zhao-Min; An, Qingqing; Lv, Hongjin; Jia, Zhiyu; Yang, Guo-Yu","Two new Cu-based borate catalysts with cubic supramolecular cages for efficient catalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10156","10161","10.1039/d0dt01994a","","","0.71073","MoKα","","0.0602","0.054","","","0.1496","0.1559","","","","","","1.034","","","","has coordinates,has disorder","254951","2020-10-21","18:00:00",""
"7704937","25.8626","0.0005","25.8626","0.0005","10.8856","0.0002","90","","90","","90","","7281.1","0.2","123","","123","","","","","","","","","6","I -4","I -4","82","","","","- C32 H39 Cl5 N2 O Ru -","- C32 H39 Cl5 N2 O Ru -","- C256 H312 Cl40 N16 O8 Ru8 -","8","1","","Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi","Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11618","11627","10.1039/d0dt02353a","","","0.71075","MoKα","","0.0181","0.018","","","0.0483","0.0483","","","","","","1.111","","","","has coordinates","256076","2020-10-21","18:00:00",""
"7704972","27.1903","0.0005","27.1903","","15.5907","0.0007","90","","90","","90","","11526.4","0.6","150","","150","","","","","","","","synthesis as described","6","I -4","I -4","82","","","","- C62 H78 Ca I N3 O -","- C62 H78 Ca I N3 O -","- C496 H624 Ca8 I8 N24 O8 -","8","1","","Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","A versatile nitrogen ligand for alkaline-earth chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11878","11889","10.1039/d0dt02236e","","x-ray","0.71073","MoKα","","0.0434","0.0346","","","0.0808","0.0855","","","","","","1.008","","","","has coordinates,has disorder","256118","2020-10-21","18:00:00",""
"7706842","18.1058","0.0004","18.1058","0.0004","27.619","0.0006","90","","90","","90","","9054.1","0.3","170","2","170","","","","","","","","","5","I -4","I -4","82","","","","- C118 H184 N34 O38 U4 -","- C118 H184 N34 O38 U4 -","- C236 H368 N68 O76 U8 -","2","0.25","","Zeng, Li-Wen; Hu, Kong-Qiu; Huang, Zhi-Wei; Mei, Lei; Kong, Xiang-He; Liu, Kang; Zhang, Xiao-Lin; Zhang, Zhi-Hui; Chai, Zhi-Fang; Shi, Wei-Qun","Controlling the secondary assembly of porous anionic uranyl-organic polyhedra through organic cationic templates.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4499","4503","10.1039/d1dt00289a","","","1.54178","CuKα","","0.0392","0.0383","","","0.0995","0.1004","","","","","","0.995","","","","has coordinates,has disorder","266050","2021-06-05","18:43:44",""
"7708090","19.7922","0.0004","19.7922","0.0004","26.1324","0.0006","90","","90","","90","","10236.9","0.4","150","2","150","","","","","","","","","9","I -4","I -4","82","","","","- C6 H122 As4 K4 N4 Na9 O212 Ru3.2 W40 -","- C6 H6 As4 K4 N4 Na9 O158 Ru3.2 W40 -","- C12 H12 As8 K8 N8 Na18 O316 Ru6.4 W80 -","2","0.25","","Zou, Yan; Li, Huafeng; Zhao, Xue; Song, Junpeng; Wang, Yaqiong; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Ru(iii) -based polyoxometalate tetramers as highly efficient heterogeneous catalysts for alcohol oxidation reactions at room temperature","Dalton Transactions","2021","","","","","10.1039/D1DT01819A","","","0.71073","MoKα","","0.0441","0.0409","","","0.0946","0.0959","","","","","","1.079","","","","has coordinates","268145","2021-08-19","22:58:24",""
"7708793","18.1333","0.0011","18.1333","0.0011","12.593","0.0013","90","","90","","90","","4140.8","0.6","296","2","296","2","","","","","","","","4","I -4","I -4","82","","SQNU-55","","- C30 H16 Mn2 O10 -","- C30 H16 Mn2 O10 -","- C120 H64 Mn8 O40 -","4","0.5","","Zhang, Jian-Wei; Li, Hui; Li, Jieqiong; Chen, Ya; Qu, Peng; Zhai, Quan-Guo","Enhancement of the fluorescence properties via introducing the tetraphenylethylene chromophores into a novel Mn–organic framework with a rare [Mn4(μ3-OH)2] cluster","Dalton Transactions","2021","","","","","10.1039/D1DT03349B","","","0.71073","MoKα","","0.2286","0.1493","","","0.31","0.3491","","","","","","1.067","","","","has coordinates,has disorder","270606","2021-11-12","00:01:13",""
"7708998","21.0767","0.0001","21.0767","0.0001","16.3798","0.0001","90","","90","","90","","7276.35","0.07","150","0.1","150","0.1","","","","","","","","5","I -4","I -4","82","","Aluminium hydrido bis-2,6-diisopropylphenylamidoenoate","","- C36 H53 Al N2 O4 -","- C36 H53 Al N2 O4 -","- C288 H424 Al8 N16 O32 -","8","1","","Mears, Kristian L.; Bhide, Malavika A.; Knapp, Caroline E.; Carmalt, Claire J.","Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","156","167","10.1039/d1dt03365d","","x-ray","1.54184","CuKα","","0.0365","0.0352","","","0.0946","0.0961","","","","","","1.028","","","","has coordinates,has disorder","272657","2022-02-04","19:33:40",""
"7709488","15.2721","0.0002","15.2721","0.0002","15.8807","0.0003","90","","90","","90","","3703.97","0.1","172.99","0.1","172.99","0.1","","","","","","","","5","I -4","I -4","82","","","","- C60 H60 N12 O28 Ti6 -","- C60 H60 N12 O28 Ti6 -","- C120 H120 N24 O56 Ti12 -","2","0.25","","Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate","Dalton Transactions","2022","","","","","10.1039/D1DT04170C","","x-ray","1.54184","CuKα","","0.0312","0.0301","","","0.0753","0.0757","","","","","","1.013","","","","has coordinates","272980","2022-02-15","23:53:36",""
"7711580","19.5073","0.0004","19.5073","0.0004","8.9948","0.0002","90","","90","","90","","3422.83","0.13","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H92 Cu4 N8 O16 S8 -","- C52 H92 Cu4 N8 O16 S8 -","- C104 H184 Cu8 N16 O32 S16 -","2","0.25","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.019","0.0178","","","0.0414","0.0417","","","","","","1.046","","","","has coordinates","278839","2022-10-27","22:54:22",""
"7711587","14.675","0.006","14.675","0.006","20.768","0.008","90","","90","","90","","4473","3","","","298","","","","","","","","see text","6","I -4","I -4","82","","","","- C24 H26 N2 O26 Re2 Zr3 -","- C24 H26 N2 O26 Re2 Zr3 -","- C96 H104 N8 O104 Re8 Zr12 -","4","0.5","","Pournara, Anastasia; Evangelou, Dimitrios; Roukounaki, Christina; Andreou, Evangelos K.; Armatas, Gerasimos S.; Lazarides, Theodore; Manos, Manolis J.","Highly efficient sorption and luminescence sensing of oxoanionic species by 8-connected alkyl-amino functionalized Zr4+ MOFs","Dalton Transactions","2022","","","","","10.1039/D2DT02848D","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","278840","2022-10-27","22:55:55",""
"7715182","12.1035","0.0015","12.1035","0.0015","10.1522","0.0015","90","","90","","90","","1487.2","0.3","210","","210","","","","","","","","","3","I -4","I -4","82","","","","- Cl20 Te4 Ti -","- Cl20 Te4 Ti -","- Cl40 Te8 Ti2 -","2","0.25","","Bonnin, Maxime A.; Beier, Klaus; Bayarjargal, Lkhamsuren; Winkler, Björn; Feldmann, Claus","(TeCl)4(TiCl4) with isolated Te4Cl16 and TiCl4 molecules and second-harmonic-generation","Dalton Transactions","2024","53","11","4962","4967","10.1039/D4DT00284A","","x-ray","0.71073","MoKα","","0.0211","0.0191","","","0.0435","0.0438","","","","","","0.997","","","","has coordinates","290972","2024-04-04","23:33:25",""
"8100502","9.0487","0.0013","9.0487","0.0013","4.4646","0.0009","90","","90","","90","","365.56","0.1","293","2","293","2","","","","","","","","3","I -4","I -4","82","Schreibersite","","","- Fe13.6 Ni10.4 P8 -","- Fe13.6 Ni10.4 P8 -","- Fe13.6 Ni10.4 P8 -","1","0.125","","Moretzki, Olaf; Doering, Thomas; Geist, Volker; Morgenroth, Wolfgang; Wendschuh, Michael","Crystal structure of iron nickel phosphide, Fe~1.7~Ni~1.3~P, a Schreibersite extracted from Canyon Diablo meteorite","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","391","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100503","9.059","0.002","9.059","0.002","4.4793","0.0012","90","","90","","90","","367.62","0.16","293","2","293","2","","","","","","","","3","I -4","I -4","82","Rhabdite","","","- Fe13.2 Ni10.8 P8 -","- Fe13.2 Ni10.8 P8 -","- Fe13.2 Ni10.8 P8 -","1","0.125","","Moretzki, Olaf; Doering, Thomas; Geist, Volker; Morgenroth, Wolfgang; Wendschuh, Michael","Crystal structure of iron nickel phosphide, Fe~1.65~Ni~1.35~P, a Rhabdite extracted from Morasko meteorite","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","393","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100504","9.085","0.005","9.085","0.005","4.481","0.003","90","","90","","90","","369.9","0.4","293","2","293","2","","","","","","","","3","I -4","I -4","82","Schreibersite","","","- Fe14.4 Ni9.6 P8 -","- Fe14.4 Ni9.6 P8 -","- Fe14.4 Ni9.6 P8 -","1","0.125","","Moretzki, Olaf; Doering, Thomas; Geist, Volker; Morgenroth, Wolfgang; Wendschuh, Michael","Crystal structure of iron nickel phosphide, Fe~1.8~Ni~1.2~P, a Schreibersite extracted from Orange River meteorite","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","395","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101371","17.2576","0.0016","17.2576","0.0016","4.2647","0.0007","90","","90","","90","","1270.1","0.3","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C8 H16 Cd N12 S8 Zn -","- C8 H16 Cd N12 S8 Zn -","- C16 H32 Cd2 N24 S16 Zn2 -","2","0.25","","Jiang, Xue Ning; Yu, Wen Tao; Xu, Dong; Yuan, Duo Rong; Lu, Meng Kai; Guo, Shi Yi; Meng, Fan Qing; Zhang, Guang Hui; Wang, Xin Qiang; Jiang, Min Hua","Crystal structure of crystal structure of tetrakis(thiourea)cadmium tetrakis(thiocyanato)zincate, [Cd(NH~2~CSNH~2~)~4~][Zn(SCN)~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","501","502","","","","","","","","0.0688","","","0.1782","","","","","","","","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101570","11.829","0.003","11.829","0.003","7.33","0.002","90","","90","","90","","1025.5","0.4","293","2","293","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium-thiocyanate","","","- C25 H20 N P S -","- C25 H20 N P S -","- C50 H40 N2 P2 S2 -","2","0.25","","Köckerling, Martin; Willems, Johannes B.","Crystal structure of tetraphenylphosphonium thiocyanate, (C~6~H~5~)~4~P(SCN)","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","460","460","","","","","","","","0.0356","","","0.0988","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103037","5.4174","0.0008","5.4174","0.0008","7.6426","0.0015","90","","90","","90","","224.3","0.06","298","","298","","","","","","","","synthetic","6","I -4","I -4","82","Samarium-Strontium-Calcium orthoaluminotantalate","Guanidinium tetrabromomercurate(II)","","- Al2.9 Ca0.45 O12 Sm1.59 Sr2 Ta1.1 -","- Al2.898 Ca0.454 O12 Sm1.592 Sr1.998 Ta1.102 -","- Al2.898 Ca0.454 O12 Sm1.592 Sr1.998 Ta1.102 -","1","0.125","","Thorsten M. Gesing; Reinhard Uecker; Wei Zheng; J.-Christian Buhl","Crystal structure of samarium-strontium-calcium orthoaluminotantalate, (Sm0.40Sr0.50Ca0.10)(Al0.70Ta0.30)O3","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","5","","","","","0.71073","MoKα","","0.0536","0.0392","","0.1387","0.1258","","","","1.076","","","1.171","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103734","10.043","","10.043","","10.043","","90","","90","","90","","1012.96","","","","","","","","","","","","","4","I -4","I -4","82","","Na6 (Al6 Si10 O32) (H2 O)12","","- Al6 Na5.92 O43.28 Si10 -","- Al6 Na5.92 O43.28 Si10 -","- Al6 Na5.92 O43.28 Si10 -","1","0.125","","Baerlocher, C.; Meier, W.M.","The crystal structure of synthetic zeolite Na-P1, an isotype of gismondine","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","339","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","156432","2020-10-21","18:00:00",""
"8103933","5.4682","","5.4682","","7.729","","90","","90","","90","","231.106","","","","","","","","","","","","","5","I -4","I -4","82","","(La0.272 Sr0.728) (Al0.648 Ta0.352) O3","","- Al0.648 La0.272 O3 Sr0.728 Ta0.352 -","- Al0.649 La0.27 O3 Sr0.73 Ta0.351 -","- Al2.596 La1.08 O12 Sr2.92 Ta1.404 -","4","0.5","","Steins, M.; Doerschel, J.; Reiche, P.","Aluminium lanthanum strontium tantalum oxide","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","77","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","162330","2020-10-21","18:00:00",""
"8104009","6.1226","","6.1226","","11.497","","90","","90","","90","","430.979","","","","","","","","","","","","","3","I -4","I -4","82","","Cu (Ga I4)","","- Cu Ga I4 -","- Cu Ga I4 -","- Cu2 Ga2 I8 -","2","0.25","","Burnus, R.; Zajonc, A.; Meyer, G.","Crystal structure of copper(I) tetraiodogallate(III), Cu Ga I4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","62","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104216","11.48","","11.48","","4.33","","90","","90","","90","","570.652","","","","","","","","","","","","","3","I -4","I -4","82","","Cd Hg (S C N)4","","- Cd Hg S4 -","- Cd Hg S4 -","- Cd2 Hg2 S8 -","2","0.25","","Iizuka, M.; Sudo, T.","Crystal structure of cadmium mercuric thiocyanate, Cd Hg (S V N)4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1968","126","","376","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104319","5.5106","","5.5106","","10.2392","","90","","90","","90","","310.931","","","","","","","","","","","","","3","I -4","I -4","82","","Hg Ga2 S4","","- Ga2 Hg S4 -","- Ga2 Hg S4 -","- Ga4 Hg2 S8 -","2","0.25","","Schwer, H.; Kraemer, V.","The crystal structures of Cd Al2S4, Hg Al2S4, and Hg Ga2S4","Zeitschrift fuer Kristallographie (149,1979-)","1990","190","","103","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8105000","13.1152","0.0004","13.1152","0.0004","14.2497","0.0006","90","","90","","90","","2451.07","0.15","293.2","0.3","293.2","0.3","","","","","","","","6","I -4","I -4","82","","","","- C19 H10 Cl6 Co N3 O6 -","- C19 H10 Cl6 Co N3 O6 -","- C76 H40 Cl24 Co4 N12 O24 -","4","0.5","","Du, Zhong-Xiang; Li, Jun-Xia; Bai, Ruo-Fei","Crystal structure of catena-poly[μ2-4,4′-bipyridine-κ2N:N′)-tetrakis(μ2-2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κ2O:O′)dicobalt(II)], C19H10Cl6CoN3O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","15","17","10.1515/ncrs-2019-0434","","x-ray","0.71073","MoKα","","0.0396","0.0359","","","0.082","0.0843","","","","","","1.048","","","","has coordinates","274300","2022-04-04","07:35:03",""
"8105014","13.1205","0.0004","13.1205","0.0004","14.2717","0.0006","90","","90","","90","","2456.84","0.15","293.2","0.3","293.2","0.3","","","","","","","","6","I -4","I -4","82","","","","- C19 H10 Cl6 N3 Ni O6 -","- C19 H10 Cl6 N3 Ni O6 -","- C76 H40 Cl24 N12 Ni4 O24 -","4","0.5","","Du, Zhong-Xiang; Li, Jun-Xia; Bai, Ruo-Fei","The crystal structure of catena-poly(μ2-4,4′-bipyridine-κ2N:N′)-tetrakis(μ2-2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κ2O:O′)dinickel(II)], C19H10Cl6N3NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","55","56","10.1515/ncrs-2019-0470","","x-ray","0.71073","MoKα","","0.0452","0.0384","","","0.0701","0.0756","","","","","","1.048","","","","has coordinates","274316","2022-04-04","09:13:43",""
"8106071","23.28","0.006","23.28","0.006","4.7191","0.0015","90","","90","","90","","2557.6","1.2","296","2","296.33","","","","","","","","","6","I -4","I -4","82","","","","- C12 H8 Cl F3 N2 O -","- C12 H8 Cl F3 N2 O -","- C96 H64 Cl8 F24 N16 O8 -","8","1","","Bertrand, Jean-Luc; Salas, Cristian O.; Brito, Iván","Crystal structure of 4-chloro-2-methyl-6-(4-(trifluoromethoxy)phenyl)pyrimidine, C12H8ClF3N2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","127","128","10.1515/ncrs-2017-0215","","","1.54178","CuKα","","0.1204","0.07","","","0.1647","0.1933","","","","","","1.024","","","","has coordinates","279245","2022-11-14","08:44:37",""
"8107637","12.2013","0.0003","12.2013","0.0003","7.1016","0.0002","90","","90","","90","","1057.23","0.05","","","200","","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium perrhenate(VII)","","","- C24 H20 O4 P Re -","- C24 H20 O4 P Re -","- C48 H40 O8 P2 Re2 -","2","0.25","","Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","Crystal structure of a second polymorph of tetraphenylphosphonium perrhenate(VII), at 200 K, C24H20O4PRe","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","15","16","10.1515/ncrs-2014-0224","","x-ray","0.71073","MoKα","","","0.017","","","0.0416","","","","","","","","","","","has coordinates","287142","2023-10-27","08:38:35",""
"9000094","7.11","","7.11","","6.2","","90","","90","","90","","313.423","","","","","","","","","","","","Franklin, New Jersey, USA","5","I -4","I -4","82","","","Cahnite","- As B Ca2 H4 O8 -","- As B Ca2 H4 O8 -","- As2 B2 Ca4 H8 O16 -","2","0.25","","Prewitt, C. T.; Buerger, M. J.","The crystal structure of cahnite, Ca2BAsO4(OH)4","American Mineralogist","1961","46","","1077","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9003361","8.64","","8.64","","8.873","","90","","90","","90","","662.366","","","","293.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 20 C, data from Hassan and Grundy (1991)","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003362","8.62597","","8.62597","","8.8564","","90","","90","","90","","658.981","","","","306.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 33 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003363","8.62591","","8.62591","","8.8562","","90","","90","","90","","658.957","","","","338.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 65 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003364","8.63144","","8.63144","","8.8598","","90","","90","","90","","660.071","","","","386.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 113 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003365","8.63812","","8.63812","","8.8644","","90","","90","","90","","661.436","","","","483.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 210 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003366","8.64804","","8.64804","","8.8715","","90","","90","","90","","663.487","","","","579.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 306 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003367","8.65669","","8.65669","","8.8778","","90","","90","","90","","665.287","","","","692.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 419 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003368","8.6671","","8.6671","","8.8857","","90","","90","","90","","667.482","","","","789.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 516 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003369","8.67339","","8.67339","","8.8904","","90","","90","","90","","668.804","","","","869.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 596 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003370","8.67908","","8.67908","","8.895","","90","","90","","90","","670.029","","","","917.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 644 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003371","8.68613","","8.68613","","8.9006","","90","","90","","90","","671.54","","","","982.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 709 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003372","8.69349","","8.69349","","8.9064","","90","","90","","90","","673.117","","","","1046.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 773 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003373","8.69872","","8.69872","","8.9107","","90","","90","","90","","674.252","","","","1094.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 821 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003374","8.70359","","8.70359","","8.9147","","90","","90","","90","","675.311","","","","1142.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 869 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003375","8.70633","","8.70633","","8.9169","","90","","90","","90","","675.903","","","","1175.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 902 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003376","8.71168","","8.71168","","8.9214","","90","","90","","90","","677.075","","","","1207.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 934 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003377","8.71853","","8.71853","","8.9269","","90","","90","","90","","678.558","","","","1255.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 982 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9004128","5.427","","5.427","","10.871","","90","","90","","90","","320.176","","","","","","","","","","","","","6","I -4","I -4","82","","","Kesterite","- Cd0.01 Cu2 Fe0.28 S4 Sn Zn0.71 -","- Cd0.01 Cu2 Fe0.28 S4 Sn Zn0.71 -","- Cd0.02 Cu4 Fe0.56 S8 Sn2 Zn1.42 -","2","0.25","","Hall, S. R.; Szymanski, J. T.; Stewart, J. M.","Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4, structurally similar but distinct minerals","The Canadian Mineralogist","1978","16","","131","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004242","8.64","","8.64","","8.873","","90","","90","","90","","662.366","","","","","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Hassan, I.; Grundy, H. D.","The crystal structure and thermal expansion of tugtupite, Na8[Al2Be2Si8O24]Cl2","The Canadian Mineralogist","1991","29","","385","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004686","10.5257","","10.5257","","9.8868","","90","","90","","90","","1095.36","","","","","","","","","","","","","7","I -4","I -4","82","","","Meliphanite","- Al Be4 Ca4 F4 Na4 O24 Si7 -","- Al Be4 Ca4 F4 Na4 O24 Si7 -","- Al2 Be8 Ca8 F8 Na8 O48 Si14 -","2","0.25","","Grice, J. D.; Hawthorne, F. C.","New data on meliphanite, Ca4(Na,Ca)4Be4AlSi7O24(F,O)4","The Canadian Mineralogist","2002","40","","971","980","10.2113/gscanmin.40.3.971","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005575","7.727","","7.727","","4.648","","90","","90","","90","","277.516","","","","","","","","","","","","","5","I -4","I -4","82","","","Tillmannsite","- Ag3.01 As0.36 Hg0.99 O4 V0.68 -","- Ag3.01 As0.36 Hg0.99 O4 V0.68 -","- Ag6.02 As0.72 Hg1.98 O8 V1.36 -","2","0.25","","Sarp, H.; Pushcharovsky, D. Y.; MacLean, E. J.; Teat, S. J.; Zubkova, N. V.","Tillmannsite, (Ag3Hg)(V,As)O4, a new mineral: its description and crystal structure","European Journal of Mineralogy","2003","15","","177","180","10.1127/0935-1221/2003/0015-0177","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006284","8.6557","","8.6557","","4.7702","","90","","90","","90","","357.389","","","","","","","","","","","","","2","I -4","I -4","82","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 1","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007331","9.068","","9.068","","4.461","","90","","90","","90","","366.822","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe2.26 Ni0.74 P -","- Fe2.26 Ni0.74 P -","- Fe18.08 Ni5.92 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Acuna","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007332","9.0575","","9.0575","","4.4622","","90","","90","","90","","366.071","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe2.07 Ni0.93 P -","- Fe2.07 Ni0.93 P -","- Fe16.56 Ni7.44 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Carlton","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007333","9.047","","9.047","","4.46","","90","","90","","90","","365.043","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe1.88 Ni1.12 P -","- Fe1.88 Ni1.12 P -","- Fe15.04 Ni8.96 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Hex River Mts cl#1","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007334","9.051","","9.051","","4.462","","90","","90","","90","","365.53","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe1.98 Ni1.02 P -","- Fe1.98 Ni1.02 P -","- Fe15.84 Ni8.16 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Hex River Mts cl#2","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007335","9.04","","9.04","","4.462","","90","","90","","90","","364.642","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe1.79 Ni1.21 P -","- Fe1.79 Ni1.21 P -","- Fe14.32 Ni9.68 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Hex River Mts cl#3","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007336","9.06","","9.06","","4.4598","","90","","90","","90","","366.076","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe2.1 Ni0.9 P -","- Fe2.1 Ni0.9 P -","- Fe16.8 Ni7.2 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Odessa cl#1","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007337","9.0375","","9.0375","","4.4601","","90","","90","","90","","364.285","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe1.75 Ni1.25 P -","- Fe1.75 Ni1.25 P -","- Fe14 Ni10 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Odessa cl#2","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007338","9.075","","9.075","","4.464","","90","","90","","90","","367.636","","","","","","","","","","","","","3","I -4","I -4","82","","","Schreibersite","- Fe2.43 Ni0.57 P -","- Fe2.43 Ni0.57 P -","- Fe19.44 Ni4.56 P8 -","8","1","","Skala, R.; Cisarova, I.","Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Sikhote-Alin","Physics and Chemistry of Minerals","2005","31","","721","732","10.1007/s00269-004-0435-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008194","9.04","","9.04","","4.462","","90","","90","","90","","364.642","","","","","","","","","","","","meteorite of Buei Muerto, Tocopilla, Chile","3","I -4","I -4","82","","","Schreibersite","- Fe2 Ni P -","- Fe2 Ni P -","- Fe16 Ni8 P8 -","8","1","","Doenitz, F. D.","Die kristallstruktur des meteoritischen rhabdits (Fe,Ni)3P","Zeitschrift fur Kristallographie","1970","131","","222","236","10.1524/zkri.1970.131.1-6.222","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9011822","9.0127","","9.0127","","4.4473","","90","","90","","90","","361.249","","","","","","","","","","","","Synthetic","3","I -4","I -4","82","","","Nickelphosphide","- Fe1.33 Ni1.67 P -","- Fe1.33 Ni1.67 P -","- Fe10.64 Ni13.36 P8 -","8","1","","Skala, R.; Drabek, M.","Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure refinement of synthetic analogue Sample: P-44","Mineralogical Magazine","2003","67","","783","792","10.1180/0026461036740134","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011823","8.9499","","8.9499","","4.385","","90","","90","","90","","351.242","","","","","","","","","","","","Synthetic","2","I -4","I -4","82","","","Nickelphosphide","- Ni3 P -","- Ni3 P -","- Ni24 P8 -","8","1","","Skala, R.; Drabek, M.","Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure refinement of synthetic analogue Sample: P-33/3","Mineralogical Magazine","2003","67","","783","792","10.1180/0026461036740134","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011928","11.644","","11.644","","5.396","","90","","90","","90","","731.604","","","","","","","","","","","","","5","I -4","I -4","82","","","Nefedovite","- Ca4 F Na5 O16 P4 -","- Ca4 F Na5 O16 P4 -","- Ca8 F2 Na10 O32 P8 -","2","0.25","","Sebals, M.; Dorokhova, G. I.; Pobedimskaya, E. A.; Khomyakov, A. P.","The crystal structure of nefedovite and its typomorphism","Doklady Akademii Nauk SSSR","1984","278","","353","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""