# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-08T15:48:05+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n :2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000076","10.2679","0.0005","10.2679","0.0005","18.373","0.002","90","","90","","90","","1937.1","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","Trisodium tetrastrontium 26-fluoropentaaluminate","","- Al5 F26 Na3 Sr4 -","- Al5 F26 Na3 Sr4 -","- Al20 F104 Na12 Sr16 -","4","0.5","","Hemon, A; Le Bail, A; Courbion, G","Crystal Structure of Na~3~ Sr~4~ Al~5~ F~26~","Journal of Solid State Chemistry","1989","81","","299","304","10.1016/0022-4596(89)90018-2","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008320","7.098","0.001","7.098","0.001","58.69","","90","","90","","90","","2956.9","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Samarium iron boride (17/60/60)","","- B60 Fe60 Sm17 -","- B60 Fe60 Sm17 -","- B120 Fe120 Sm34 -","2","0.25","","Bezinge, A; Braun, H F; Muller, J; Yvon, K","Tetragonal rare earth (R) iron borides, R(~1+x~) Fe~4~ B~4~ (x=0.1), with incommensurate rare earth and iron substructures","Solid State Communications","1985","55","","131","135","10.1016/0038-1098(85)90264-9","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008634","7.1226","0.0001","7.1226","0.0001","66.2","0.1","90","","90","","90","","3358.4","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Neodymium iron boride (19/68/68)","","- B68 Fe68 Nd19 -","- B68 Fe68 Nd19 -","- B136 Fe136 Nd38 -","2","0.25","","Bezinge, A; Yvon, K; Braun, H F; Muller, J; Nissen, H U","Nd~1+e~ Fe~4~ B~4~: A composition-modulated compound with incommensurate composite crystal structure.","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","36","","1406","1414","10.1103/PhysRevB.36.1406","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008831","12.676","0.002","12.676","0.002","5.601","0.001","90","","90","","90","","900","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Neodymium rhenium oxide (4/2/11)","","- Nd4 O11 Re2 -","- Nd4 O11 Re2 -","- Nd16 O44 Re8 -","4","0.5","","Wilhelmi, K A; Lagervall, E; Muller, O","On the crystal structure of Nd4 Re2 O11","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3406","3408","10.3891/acta.chem.scand.24-3406","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010153","8.12","","8.12","","7.91","","90","","90","","90","","521.5","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","Silver hexahydroxoantimonate","","- Ag H6 O6 Sb -","- Ag H6 O6 Sb -","- Ag4 H24 O24 Sb4 -","4","0.5","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011004","8.01","","8.01","","7.88","","90","","90","","90","","505.6","","","","","","","","","","","","synthetic from solution","4","P 42/n :2","-P 4bc","86","","Sodium hexahydroxoantimonate","Mopungite","- H6 Na O6 Sb -","- H6 Na O6 Sb -","- H24 Na4 O24 Sb4 -","4","0.5","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)6, Na Sb F6, Na Sb O3 und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501611","17.7781","0.0002","17.7781","0.0002","7.1904","0.0001","90","","90","","90","","2272.6","0.05","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 42/n :2","-P 4bc","86","","","","- C44 H56 N4 O12 Si -","- C44 H56 N4 O12 Si -","- C88 H112 N8 O24 Si2 -","2","0.25","","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","","0.0879","0.0724","","","0.2024","0.216","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501636","13.5519","0.0002","13.5519","0.0002","10.7761","0.0004","90","","90","","90","","1979.07","0.08","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 42/n :2","-P 4bc","86","","","","- C29 H16 Br16 -","- C29 H16 Br16 -","- C58 H32 Br32 -","2","0.25","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0262","0.0262","","","0.0672","0.0672","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502963","23.99","0.005","23.99","0.005","6.922","0.002","90","","90","","90","","3983.8","1.6","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H18 Br2 N2 S2 Si2 -","- C12 H18 Br2 N2 S2 Si2 -","- C96 H144 Br16 N16 S16 Si16 -","8","1","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.1593","0.064","","","0.1397","0.1839","","","","","","0.779","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503307","22.1879","0.0004","22.1879","0.0004","3.8717","0.0001","90","","90","","90","","1906.05","0.07","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C6 H2.5 Br2 N2 O0.25 S2 -","- C6 H2.5 Br2 N2 O0.25 S2 -","- C48 H20 Br16 N16 O2 S16 -","8","1","","Al-Hashimi, Mohammed; Labram, John G.; Watkins, Scott; Motevalli, Majid; Anthopoulos, Thomas D.; Heeney, Martin","Synthesis and characterization of fused pyrrolo[3,2-d:4,5-d']bisthiazole-containing polymers.","Organic letters","2010","12","23","5478","5481","10.1021/ol102344m","","","0.71073","MoKα","","0.0342","0.0273","","","0.059","0.0613","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503308","23.9704","0.001","23.9704","0.001","6.9043","0.0005","90","","90","","90","","3967.1","0.4","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H18 Br2 N2 S2 Si2 -","- C12 H18 Br2 N2 S2 Si2 -","- C96 H144 Br16 N16 S16 Si16 -","8","1","","Al-Hashimi, Mohammed; Labram, John G.; Watkins, Scott; Motevalli, Majid; Anthopoulos, Thomas D.; Heeney, Martin","Synthesis and characterization of fused pyrrolo[3,2-d:4,5-d']bisthiazole-containing polymers.","Organic letters","2010","12","23","5478","5481","10.1021/ol102344m","","","0.71073","MoKα","","0.1538","0.0624","","","0.0994","0.1206","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1504636","13.2927","0.0003","13.2927","0.0003","7.3547","0.0002","90","","90","","90","","1299.55","0.05","113","2","113","2","","","","","","","","4","P 42/n :2","-P 4bc","86","none","OUR CODE NAME = 2c","","- C28 H12 Cl4 O8 -","- C28 H12 Cl4 O8 -","- C56 H24 Cl8 O16 -","2","0.25","","Tanaka, Koichi; Hayashi, Satoshi; Caira, Mino R.","Inclusion and gelation properties of novel tetra- and hexasalicylide derivatives.","Organic letters","2008","10","11","2119","2122","10.1021/ol8004485","","","0.71073","MoKα","","0.0471","0.0332","","","0.0831","0.0888","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:01:21",""
"1507398","21.859","0.002","21.859","0.002","4.215","0.001","90","","90","","90","","2014","0.5","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C7 H9 Br N4 O3 -","- C7 H9 Br N4 O3 -","- C56 H72 Br8 N32 O24 -","8","1","","Garnier, Ethel; Guillard, Jérôme; Pasquinet, Eric; Suzenet, Franck; Poullain, Didier; Jarry, Christian; Léger, Jean-Michel; Lebret, Bruno; Guillaumet, Gérald","Highly diastereoselective synthesis of C6-functionalized dihydroimidazotriazines.","Organic letters","2003","5","24","4595","4598","10.1021/ol035743e","","","1.5418","CuKα","","0.0481","0.0308","","","0.0719","0.0812","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1508388","21.37","0.002","21.37","0.002","7.4607","0.0008","90","","90","","90","","3407.1","0.6","298","","298","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H56 Co2 K N20 O4 -","- C76 H56 Co2 K N20 O4 -","- C152 H112 Co4 K2 N40 O8 -","2","0.25","","Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu","Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K)","Crystals","2012","2","3","946","957","10.3390/cryst2030946","","","0.71075","MoKα","","","0.0467","","","","0.1232","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508389","21.163","0.004","21.163","0.004","7.414","0.0013","90","","90","","90","","3320.5","1.1","273.1","","273.1","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H56 Co2 N20 Na O4 -","- C76 H56 Co2 N20 Na O4 -","- C152 H112 Co4 N40 Na2 O8 -","2","0.25","","Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu","Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K)","Crystals","2012","2","3","946","957","10.3390/cryst2030946","","","0.71075","MoKα","","","0.0511","","","","0.0939","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509889","7.3169","","7.3169","","4.9595","","90","","90","","90","","265.517","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Ag4 (Si O4)","","- Ag4 O4 Si -","- Ag4 O4 Si -","- Ag8 O8 Si2 -","2","0.25","","Klein, W.; Jansen, M.","Synthesis and crystal structure of silver nesosilicate, Ag4 Si O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1077","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511277","8.812","","8.812","","4.375","","90","","90","","90","","339.725","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Fe3 P0.37 B0.63","","- B0.63 Fe3 P0.37 -","- B0.63 Fe3 P0.37 -","- B5.04 Fe24 P2.96 -","8","1","","Rundqvist, S.","X-ray invesigations of the ternary system Fe-B-P.","Acta Chemica Scandinavica (1-27,1973-42,1988)","1962","16","","1","19","10.3891/acta.chem.scand.16-0001","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511492","7.5591","","7.5591","","4.0026","","90","","90","","90","","228.709","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Nd Os4 B4","","- B4 Nd Os4 -","- B4 Nd Os4 -","- B8 Nd2 Os8 -","2","0.25","","Rogl, P.; Hiebl, K.; Sienko, M.J.","Magnetic behaviour and structural chemistry of RE (Os, Ir)4 B4 borides (RE = rare earth)","Journal of the Less-Common Metals","1981","82","","21","28","10.1016/0022-5088(81)90193-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511718","7.07","","7.07","","3.822","","90","","90","","90","","191.042","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Nd Co4 B4","","- B4 Co4 Nd -","- B4 Co4 Nd -","- B8 Co8 Nd2 -","2","0.25","","Kuz'ma, Yu.B.; Bilonizhko, N.S.","Crystal structure of neodymium cobalt boride (Nd Co4 B4) and its analogs","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1978","1978","","275","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511748","7.638","","7.638","","3.9782","","90","","90","","90","","232.084","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","La (Os2 Ir2) B4","","- B4 Ir2 La Os2 -","- B4 Ir2 La Os2 -","- B8 Ir4 La2 Os4 -","2","0.25","","Rogl, P.; Hiebl, K.; Sienko, M.J.","Magnetic behaviour and structural chemistry of RE (Os, Ir)4 B4 borides (RE = rare earth)","Journal of the Less-Common Metals","1981","82","","21","28","10.1016/0022-5088(81)90193-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511751","7.6719","","7.6719","","3.9739","","90","","90","","90","","233.896","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","La Ir4 B4","","- B4 Ir4 La -","- B4 Ir4 La -","- B8 Ir8 La2 -","2","0.25","","Rogl, P.","The crystal structure of La Ir4 B4, Th Os4 B4, Th Ir4 B4 ( Nd Co4 B4 - type ) and U Ru4 B4, U Os4 B4 ( Lu Ru4 B4 - type)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","517","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511752","7.616","","7.616","","3.974","","90","","90","","90","","230.506","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Nd Ir4 B4","","- B4 Ir4 Nd -","- B4 Ir4 Nd -","- B8 Ir8 Nd2 -","2","0.25","","Rogl, P.","Ternary metal borides ((La, Ce, Pr, Nd, Sm)) Os4 B4 and ((Y, La, Ce, Pr, Nd, Sm, Gd, Tb)) Ir4 B4 with NdCo4B4 -type structure","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1979","110","","235","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513253","14.6049","0.0012","14.6049","0.0012","7.5464","0.0012","90","","90","","90","","1609.7","0.3","90","2","90","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","tetrakis((μ~3~-iodo)-piperidine copper(I))","","- C20 H44 Cu4 I4 N4 -","- C20 H44 Cu4 I4 N4 -","- C40 H88 Cu8 I8 N8 -","2","0.25","","Kamiński, Radosław; Graber, Timothy; Benedict, Jason B.; Henning, Robert; Chen, Yu-Sheng; Scheins, Stephan; Messerschmidt, Marc; Coppens, Philip","Optimizing the accuracy and precision of the single-pulse Laue technique for synchrotron photo-crystallography","Journal of Synchrotron Radiation","2010","17","4","479","485","10.1107/S0909049510019710","","x-ray","0.71073","MoKα","","0.031","0.0239","","","0.0549","0.0602","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514961","9.7481","0.0002","9.7481","0.0002","17.6848","0.0005","90","","90","","90","","1680.51","0.07","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.1048","0.0909","","","0.2721","0.2881","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514962","9.8046","0.0005","9.8046","0.0005","17.8869","0.0013","90","","90","","90","","1719.47","0.18","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0952","0.0797","","","0.2612","0.2717","","","","","","2.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515068","22.26","0.003","22.26","0.003","4.77","0.001","90","","90","","90","","2363.6","0.7","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","Butyl-linked bis-thymine propamide","Butyl-linked bis-thymine propamide","","- C20 H30 N6 O7 -","- C20 H30 N6 O7 -","- C80 H120 N24 O28 -","4","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.710702","synchrotron","","0.0844","0.0574","","","0.1452","0.1613","","","","","","1.072","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515789","17.1243","0.001","17.1243","","4.1859","0.0009","90","","90","","90","","1227.5","0.3","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","CuSePh","","","- C6 H5 Cu Se -","- C6 H5 Cu Se -","- C48 H40 Cu8 Se8 -","8","1","","Low, Kam-Hung; Li, Cheng-Hui; Roy, Vellaisamy A. L.; Chui, Stephen Sin-Yin; Chan, Sharon Lai-Fung; Che, Chi-Ming","Homoleptic copper(i) phenylselenolate polymer as a single-source precursor for Cu2Se nanocrystals. Structure, photoluminescence and application in field-effect transistor","Chemical Science","2010","1","4","515","","10.1039/c0sc00212g","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06999","","1.4","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516321","15.7703","0.0005","15.7703","0.0005","7.0717","0.0002","90","","90","","90","","1758.75","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 42/n :2","-P 4bc","86","","","","- C34 H28 N4 O4 -","- C34 H28 N4 O4 -","- C68 H56 N8 O8 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0735","0.0685","","","0.21","0.2148","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520846","21.771","","21.771","","10.285","","90","","90","","90","","4874.85","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","Na2 Zn (P2 O7)","","- Na2 O7 P2 Zn -","- Na2 O7 P2 Zn -","- Na64 O224 P64 Zn32 -","32","4","","Belharouak, I.; Gravereau, P.; Parent, C.; Chaminade, J.P.; Lebraud, E.; le Flem, G.","Crystal structure of Na2 Zn P2 O7: reinvestigation","Journal of Solid State Chemistry","2000","152","","466","473","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523984","10.155","","10.155","","5.0128","","90","","90","","90","","516.94","","","","","","","","","","","","","2","P 42/n :2","-P 4bc","86","","Ta3 P","","- P Ta3 -","- P Ta3 -","- P8 Ta24 -","8","1","","Andersson, Y.; Pramatus, S.; Rundqvist, S.","Crystal structure refinement of alpha-Ta3 P","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","811","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529779","9.7899","","9.7899","","6.1605","","90","","90","","90","","590.436","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I8 Li8 O24 -","8","1","","Crettez, J.M.; Coquet, E.; Pannetier, J.; Bouillot, J.; Durand-Le Floch, M.","Neutron structure refinement of gamma- and beta-lithium: Comparison between alpha, gamma, and beta phases","Journal of Solid State Chemistry","1985","56","","133","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529919","7.328","","7.328","","11.362","","90","","90","","90","","610.135","","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","Pt Cl2 (N H3)2 (O H)2","","- Cl2 H8 N2 O2 Pt -","- Cl2 H10 N2 O2 Pt -","- Cl8 H40 N8 O8 Pt4 -","4","0.5","","Faggiani, R.; Howard-Lock, H.E.; Lock, C.J.L.","Crystalline structure and vibrational spectra of cis-dichlorodiammine-trans-dihydroxoplatinum(IV), Pt Cl2 (N H3)2 (O H)2","Canadian Journal of Chemistry","1982","60","","529","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1530693","14.0529","0.001","14.0529","0.001","18.2643","0.0018","90","","90","","90","","3606.9","0.5","140","2","140","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[Co(IAd)2][BArF4]","","- C78 H76 B Co F24 N4 -","- C78 H76 B Co F24 N4 -","- C156 H152 B2 Co2 F48 N8 -","2","0.25","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0948","0.0656","","","0.1841","0.2084","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531852","13.717","","13.717","","8.73","","90","","90","","90","","1642.6","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Mg15 (Ir5 Si2)","","- Ir5 Mg15 Si2 -","- Ir5 Mg15 Si2 -","- Ir20 Mg60 Si8 -","4","0.5","","Lorenz, P.; Schoolaert, S.; Jung, W.","Mg15 Ir5 Si2, ein Magnesium-Iridiumsilicid mit isolierten (Ir5 Si2)-Baugruppen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1517","1520","","","","","","","","","","","","","","","","","","","","","","has coordinates","157432","2020-10-21","18:00:00",""
"1533560","7.9575","","7.9575","","7.9583","","90","","90","","90","","503.934","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","Sr2 (Mn Mo O6)","","- Mn Mo O6 Sr2 -","- Mn Mo O6 Sr2 -","- Mn4 Mo4 O24 Sr8 -","4","0.5","","Azad, A.K.; Mathieu, R.; Eriksson, S.G.; Ivanov, S.A.; Svedlindh, P.; Eriksen, J.; Rundlof, H.","Synthesis, structural and magnetic characterisation of the double perovskite A2 Mn Mo O6 (A = Ba, Sr)","Journal of Alloys Compd.","2004","364","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535070","12.12","","12.12","","7.587","","90","","90","","90","","1114.49","","","","","","","","","","","","","7","P 42/n :2","-P 4bc","86","","(Na1.96 Ca1.68 K0.18) (Al4 Si8 O24) Cl0.49 (C O3)0.23 (S O4)0.11","","- Al4 Ca1.68 Cl0.49 K0.18 Na1.96 O24 Si8 -","- Al4 Ca1.68 Cl0.49 K0.18 Na1.96 O24 Si8 -","- Al8 Ca3.36 Cl0.98 K0.36 Na3.92 O48 Si16 -","2","0.25","","Belokoneva, E.L.; Dorokhova, G.I.; Sokolova, N.V.","Crystal structure of natural Na, Ca-scapolite - an intermediate member of the maryalite-meyonite family","Kristallografiya","1991","36","","1459","1464","","","","","","","","","","","","","","","","","","","","","","has coordinates","162252","2020-10-21","18:00:00",""
"1536507","10.0796","","10.0796","","7.8958","","90","","90","","90","","802.2","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","K (Te O F3)","","- F3 K O Te -","- F3 K O Te -","- F24 K8 O8 Te8 -","8","1","","Kessler, U.; Jansen, M.","Synthese und Kristallstruktur von K Te O F3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1782","1786","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536599","9.3598","","9.3598","","16.938","","90","","90","","90","","1483.87","","","","","","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Ce Se1.9 -","- Ce Se1.9 -","- Ce20 Se38 -","20","2.5","","Plambeck-Fischer, P.; Abriel, W.; Urland, W.","Preparation and crystal structure of RE Se1.9 (RE= Ce, Pr)","Journal of Solid State Chemistry","1989","78","","164","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536601","9.296","","9.296","","16.86","","90","","90","","90","","1456.97","","","","","","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Pr Se1.9 -","- Pr Se1.9 -","- Pr20 Se38 -","20","2.5","","Plambeck-Fischer, P.; Urland, W.; Abriel, W.","Preparation and crystal structure of RE Se1.9 (RE= Ce, Pr)","Journal of Solid State Chemistry","1989","78","","164","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1546592","19.9133","0.0015","19.9133","0.0015","11.122","0.0009","90","","90","","90","","4410.3","0.6","293","","293","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C192 H216 N24 O32 -","8","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","x-ray","0.71073","MoKα","","0.0424","0.0424","","","0.05","0.05","","","","1.03","1.03","1.03","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1551634","11.608","0.002","11.608","0.002","16.717","0.004","90","","90","","90","","2252.5","0.8","90","2","90","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H54 Co4 N10 O12 -","- C36 H54 Co4 N10 O12 -","- C72 H108 Co8 N20 O24 -","2","0.25","","LIM, Jongwan; KIM, Gibeom; DO, Kyungseo; LEE, Seonghyun; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Tetranuclear Nickel(II) and Cobalt(II) Complexes with 3,5-Dimethyl-1-pyrazolylmethanolato and Acetato Bridges Having a Cubane Core","X-ray Structure Analysis Online","2015","31","0","49","","10.2116/xraystruct.31.49","","","0.71073","MoKα","","0.131","0.1046","","","0.2725","0.2786","","","","","","1.217","","","","has coordinates","216245","2020-10-21","18:00:00",""
"1551635","11.5812","0.0011","11.5812","0.0011","16.58","0.002","90","","90","","90","","2223.8","0.4","90","2","90","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H54 N10 Ni4 O12 -","- C36 H54 N10 Ni4 O12 -","- C72 H108 N20 Ni8 O24 -","2","0.25","","LIM, Jongwan; KIM, Gibeom; DO, Kyungseo; LEE, Seonghyun; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Tetranuclear Nickel(II) and Cobalt(II) Complexes with 3,5-Dimethyl-1-pyrazolylmethanolato and Acetato Bridges Having a Cubane Core","X-ray Structure Analysis Online","2015","31","0","49","","10.2116/xraystruct.31.49","","","0.71073","MoKα","","0.0356","0.0288","","","0.0818","0.0842","","","","","","1.057","","","","has coordinates","216246","2020-10-21","18:00:00",""
"1554091","23.1475","0.0013","23.1475","0.0013","12.6145","0.0009","90","","90","","90","","6758.9","0.7","296","2","296","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C42 H36 N2 O2 -","- C42 H36 N2 O2 -","- C336 H288 N16 O16 -","8","1","","Mallia, Ajith R.; Hariharan, Mahesh","Self-Assembled Donor–Acceptor Trefoils: Long-Lived Charge Separated State through Aggregation","The Journal of Physical Chemistry C","2017","121","9","4778","","10.1021/acs.jpcc.6b10765","","","0.71073","MoKα","","0.1729","0.0958","","","0.2612","0.3552","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1555238","12.3523","0.0003","12.3523","0.0003","19.4557","0.001","90","","90","","90","","2968.54","0.18","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C26 H54 N2 O2 Zn2 -","- C26 H54 N2 O2 Zn2 -","- C104 H216 N8 O8 Zn8 -","4","0.5","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.1062","0.0591","","","0.1568","0.2114","","","","","","0.998","","","","has coordinates,has disorder","238417","2020-10-21","18:00:00",""
"1559394","14.789","0.005","14.789","0.005","17.995","0.01","90","","90","","90","","3936","3","","","296","","","","","","","","","4","P 42/n :2","-P 4bc","86","Z,Z,Z-4,4'-Bis(3,5-di-tert-butylstyryl)stilbene","","","- C46.25 H57.5 Cl0.5 O0.5 -","- C46.0625 Cl0.5 O0.5 -","- C184.25 Cl2 O2 -","4","0.5","","Hakansson, Mikael; Jagner, Susan; Sundahl, Mikael; Wennerstrom, Olof","Helical Structures of Z,Z-1,4-Bis(3,5-di-tert-butylstyryl)benzene and Z,Z,Z-4,4'-Bis(3,5-di-tert-butylstyryl)stilbene in the Solid State","Acta Chemica Scandinavica","1992","46","","1160","1165","10.3891/acta.chem.scand.46-1160","","x-ray","0.71069","MoKα","","","0.082","","","0.085","","","","","","","","","","","has coordinates","258537","2020-10-22","11:21:30",""
"1560493","17.645","0.003","17.645","0.002","20.477","0.003","90","","90","","90","","6375.4","1.6","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C64 H74 K2 Mg2 O22 -","- C64 H74 K2 Mg2 O22 -","- C256 H296 K8 Mg8 O88 -","4","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","1.54178","CuKα","","0.0437","0.0403","","","0.1025","0.1048","","","","","","1.063","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1561089","19.5614","0.0014","19.5614","0.0014","6.7125","0.0005","90","","90","","90","","2568.5","0.3","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H32 B4 O6 -","- C28 H32 B4 O6 -","- C112 H128 B16 O24 -","4","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1878","0.1169","","","0.1815","0.214","","","","","","1.265","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1561256","15.2674","0.0005","15.2674","0.0005","19.438","0.0008","90","","90","","90","","4530.9","0.3","150","2","150","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C25.5 H57 Cl2.5 N12 Ni2 O15.5 Re -","- C25.5 H48 Cl2.5 N12 Ni2 O15.5 Re -","- C102 H192 Cl10 N48 Ni8 O62 Re4 -","4","0.5","","Sukhikh, Taisiya S.; Vostrikova, Kira E.","Redetermination of the crystal structure of the 2D heterometallic framework prepared from [Ni(cyclam)]2+ and [Re(CN)7]3-","Journal of Solid State Chemistry","2018","258","","485","487","10.1016/j.jssc.2017.11.016","","","0.71073","MoKα","","0.0542","0.042","","","0.1066","0.1155","","","","","","1.056","","","","has coordinates,has disorder","263319","2021-03-25","10:02:47",""
"1562701","14.3504","0.0002","14.3504","0.0002","29.0183","0.0006","90","","90","","90","","5975.85","0.17","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C25 H47 Mo12 N11 O46 Si -","- C25 H47 Mo12 N11 O46 Si -","- C100 H188 Mo48 N44 O184 Si4 -","4","0.5","","Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun","Crystal structure and catalytic properties of three inorganic–organic hybrid constructed from heteropolymolybdate and aminopyridine","Journal of Solid State Chemistry","2013","200","","60","69","10.1016/j.jssc.2013.01.003","","","0.71073","MoKα","","0.0784","0.0484","","","0.1268","0.1462","","","","","","1.082","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565466","14.212","0.001","14.212","0.001","16.6729","0.0014","90","","90","","90","","3367.6","0.4","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","nasr_1","nasr_1","","- C24 H34 Cu N12 O8 -","- C24 H34 Cu N12 O8 -","- C96 H136 Cu4 N48 O32 -","4","0.5","","Boubakri, Rim; Jelsch, Christian; Lefebvre, Frédéric; Kaminsky, Werner; Nasr, Cherif Ben; Kaabi, Kamel","Crystal structure, Hirshfeld surface analysis and physicochemical studies of two new Cu(II) complexes with the ligand 2-amino-6-methylpyrimidin-4-(1H)-one","Inorganica Chimica Acta","2020","502","","119289","","10.1016/j.ica.2019.119289","","","0.71073","MoKα","","0.0427","0.0329","","","0.0776","0.0811","","","","","","1.033","","","","has coordinates","270955","2021-12-01","09:23:34",""
"1567056","27.0865","0.0002","27.0865","0.0002","12.6873","0.0002","90","","90","","90","","9308.4","0.18","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C19 H29 B11 O -","- C19 H29 B11 O -","- C304 H464 B176 O16 -","16","2","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.1044","0.0964","","","0.2815","0.2922","","","","","","1.066","","","","has coordinates,has disorder","275750","2022-06-02","22:15:12",""
"1567968","21.2092","0.0006","21.2092","0.0006","9.3816","0.0003","90","","90","","90","","4220.1","0.2","120","","120","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C22.4 H17 Cl0.6 F6 N2.4 Pt S0.4 -","- C22.4 H17 Cl0.6 F6 N2.4 Pt S0.4 -","- C179.2 H136 Cl4.8 F48 N19.2 Pt8 S3.2 -","8","1","","Salthouse, Rebecca J.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Near-infrared electroluminescence beyond 940 nm in Pt(N^C^N)X complexes: influencing aggregation with the ancillary ligand X","Chemical Science","2022","","","","","10.1039/D2SC05023D","","x-ray","0.71073","MoKα","","0.1036","0.0622","","","0.1183","0.1311","","","","","","1.175","","","","has coordinates,has disorder","279237","2022-11-11","23:22:56",""
"1568077","19.8473","0.0002","19.8473","0.0002","13.1934","0.0001","90","","90","","90","","5197.08","0.08","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C54 H30 F16 N2 O2 S8 -","- C48 H16 F16 S8 -","- C192 H64 F64 S32 -","4","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0635","0.0529","","","0.1436","0.149","","","","","","1.046","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1569458","18.3186","0.0003","18.3186","0.0003","11.6298","0.0004","90","","90","","90","","3902.62","0.16","290","2","290","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C15 H12 N4 O4 Zn -","- C15 H12 N4 O4 Zn -","- C120 H96 N32 O32 Zn8 -","8","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Ryadun, Alexey A.; Fedin, Vladimir P.; Potapov, Andrei S.","Synthesis, Crystal Structure, and Luminescent Sensing Properties of a Supramolecular 3D Zinc(II) Metal–Organic Framework with Terephthalate and Bis(imidazol-1-yl)methane Linkers","Inorganics","2023","11","7","264","","10.3390/inorganics11070264","","x-ray","0.71073","MoKα","","0.0487","0.0358","","","0.0898","0.0965","","","","","","1.047","","","","has coordinates,has disorder","285003","2023-07-05","22:21:22",""
"1570490","35.1846","0.0004","35.1846","0.0004","15.853","0.0004","90","","90","","90","","19625.3","0.6","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C304 H216 Fe24 In28 N8 O116 -","- C304 H224 Fe24 In28 N8 O116 -","- C608 H448 Fe48 In56 N16 O232 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.1105","0.0644","","","0.1758","0.2001","","","","","","1.013","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570621","22.8051","0.0003","22.8051","0.0003","8.2792","0.0002","90","","90","","90","","4305.78","0.13","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C29 H18 F3 N -","- C29 H18 F3 N -","- C232 H144 F24 N8 -","8","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0997","0.0918","","","0.2877","0.2963","","","","","","1.098","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1573211","14.4907","0.0003","14.4907","0.0003","9.9423","0.0003","90","","90","","90","","2087.69","0.09","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","bis(diethylether)-(meso-tetraphenylporphyrinato)aluminium(III) complex","","- C52 H48 Al N4 O2 -","- C52 H48 Al N4 O2 -","- C104 H96 Al2 N8 O4 -","2","0.25","","Kumar, Nitin; Gastelu, Gabriela; Zábranský, Martin; Kukla, Jaroslav; Uranga, Jorge G.; Hulla, Martin","Aluminium porphyrins catalyse the hydrogenation of CO<sub>2</sub> with H<sub>2</sub>.","Chemical science","2024","15","48","20573","20581","10.1039/d4sc03665d","","","0.71073","MoKα","","0.0406","0.039","","","0.0967","0.0978","","","","","","1.106","","","","has coordinates,has disorder","297101","2025-01-06","11:21:05",""
"2000042","26.752","0.006","26.752","0.006","9.436","0.003","90","","90","","90","","6753.06","","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C54 H78 N6 S8 W6 -","- C108 H156 N12 S16 W12 -","- C432 H624 N48 S64 W48 -","4","0.5","","Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J.","Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes","Inorganic Chemistry","1995","34","17","4454","4459","10.1021/ic00121a025","","","","","","","0.028","","","0.028","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2006176","16.178","0.002","16.178","0.002","12.462","0.003","90","","90","","90","","3261.7","1","160","2","160","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","benzyltrimethylammonium tetramethoxyborate","","- C14 H28 B N O4 -","- C14 H28 B N O4 -","- C112 H224 B8 N8 O32 -","8","1","AB1461","Clegg, William; Errington, R. John; Carmalt, Claire J.","Benzyltrimethylammonium Tetramethoxoborate","Acta Crystallographica Section C","1997","53","6","751","753","10.1107/S0108270197003508","","","0.71073","MoKα","","0.0898","0.0496","","0.1423","0.1125","","","","1.033","1.009","1.009","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2007692","14.489","0.0002","14.489","0.0002","21.5432","0.0003","90","","90","","90","","4522.59","0.11","295","","295","","","","","","","","","5","P 42/n :2","-P 4bc","86","","octakis-tetramethylammonium acetate,docosavanadate hydrate","","- C34 H107.5 N8 O60.25 V22 -","- C34 H48 N8 O60.26 V22 -","- C68 H96 N16 O120.52 V44 -","2","0.25","BK1386","Chirayil, Thomas; Zavalij, Peter Y.; Whittingham, M. Stanley","The Inserting Host‒Guest System in [N(CH~3~)~4~]~8~[(CH~3~COO)V~22~O~54~].4.25H~2~O","Acta Crystallographica Section C","1998","54","10","1441","1444","10.1107/S0108270198006404","","","0.71073","MoKα","","","0.052","","","0.076","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007783","20.674","0.003","20.674","0.003","5.804","0.001","90","","90","","90","","2480.7","0.7","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","Cu(prop)~2~(mpc)~2~.1/4H~2~O","","","- C20 H26.5 Cu N4 O8.25 -","- C20 H26 Cu N4 O8.24 -","- C80 H104 Cu4 N16 O32.96 -","4","0.5","BM1193","Koman, Marian; Melník, Milan; Glowiak, Tadeus","Bis(methyl 3-pyridyl-κ<i>N</i>^1^-carbamate)bis(propionato-κ<i>O</i>)copper(II)‒Water (4/1)","Acta Crystallographica Section C","1998","54","11","1604","1605","10.1107/S0108270198006313","","","1.5418","CuKα","","0.094","0.043","","0.165","0.117","","","","0.789","0.921","0.921","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007817","16.331","0.001","16.331","0.001","7.498","0.001","90","","90","","90","","1999.7","0.3","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","cyclo-tetrakis[μ‒oxo(endo‒isodicylopentadienyl)chlorotitanium(IV)]","","","- C40 H44 Cl4 O4 Ti4 -","- C40 H44 Cl4 O4 Ti4 -","- C80 H88 Cl8 O8 Ti8 -","2","0.25","FR1123","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.","A [{TiCl~2~(isodiCp)}~2~(μ-O)] Dimer and a Twinned Cyclic [TiCl(isodiCp)(μ-O)]~4~ Tetramer","Acta Crystallographica Section C","1998","54","11","1609","1612","10.1107/S0108270198006945","","","0.7093","MoKα","","0.045","0.026","","0.073","0.064","","","","1.176","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008658","20.412","0.003","20.412","0.003","10.482","0.002","90","","90","","90","","4367.3","1.2","120","","120","","","","","","","","","5","P 42/n :2","-P 4bc","86","","{μ-2,6-Bis(N-tert-butyliminomethylene)pyridine}rhodium(I) phenoxide","","- C21 H28 N3 O Rh -","- C21 H28 N3 O Rh -","- C168 H224 N24 O8 Rh8 -","8","1","BM1325","Kooijman, Huub; Kaagman, Jan Willem; Mach, Karel; Spek, Anthony L.; Schreurs, Antoine M.M.; Haarman, Hendrikus F.; Vrieze, Kees; Elsevier, Cornelis J.","[2,6-Bis(<i>N</i>-<i>tert</i>-butyliminomethyl)pyridine-κ^3^<i>N</i>](phenolato-κ<i>O</i>)rhodium(I)","Acta Crystallographica Section C","1999","55","7","1052","1054","10.1107/S0108270199003868","","","0.71073","MoKα","","0.06","0.057","","","","0.123","","","","","","1.454","","","","has coordinates","301791","2025-08-18","23:15:33",""
"2009169","14.9099","0.0013","14.9099","0.0013","8.548","0.002","90","","90","","90","","1900.3","0.5","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","5-Hydroxy-1-phosphabicyclo[3.3.1]nonansulfide","","- C8 H15 O P S -","- C8 H15 O P S -","- C64 H120 O8 P8 S8 -","8","1","QA0182","Ziemer, Burkhard; Krauss, Babett","5-Hydroxy-1-phosphabicyclo[3.3.1]nonane <i>P</i>-sulfide","Acta Crystallographica Section C","1999","55","11","IUC9900143","","10.1107/S0108270199098534","","","0.71073","MoKα","","0.021","0.02","","0.055","0.054","","","","1.079","1.083","1.083","","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2012399","12.44","0.003","12.44","","14.851","0.007","90","","90","","90","","2298.2","1.2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H50 Cl4 Cu4 N12 O20.6 -","- C24 H48 Cl4 Cu4 N12 O20.6 -","- C48 H96 Cl8 Cu8 N24 O41.2 -","2","0.25","TA1319","Tian-Huey Lu; Yung-Jan Lin; Hung Luh; Fen-Ling Liao; Chung-Sun Chung","A linear cyclic oximate-bridged tetracopper(II) complex","Acta Crystallographica Section C","2001","57","12","1398","1399","10.1107/S0108270101016456","","","0.71073","MoKα","","0.1249","0.066","","","0.1653","0.1834","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013408","17.5017","0.0017","17.5017","0.0017","7.7186","0.0008","90","","90","","90","","2364.3","0.4","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","BM1538","Tunc̨, Tuncay; Tezcan, Habibe; Sarı, Musa; Büyükgüngör, Orhan; Yaǵbasan, Rahmi","<i>N</i>-(4-Nitrobenzylidene)-<i>N</i>'-phenylhydrazine","Acta Crystallographica Section C","2003","59","9","o528","o529","10.1107/S0108270103016019","","","0.71073","MoKα","","0.0655","0.0323","","","0.0679","0.0702","","","","","","1","","","","has coordinates,has Fobs","301798","2025-08-19","06:42:14",""
"2014175","9.5785","0.0015","9.5785","0.0015","9.713","0.002","90","","90","","90","","891.1","0.3","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Bis[1,3-bis(2-methyltetrazol-5-yl-κ^2^N^4^)triazenido-κN^2^]nickel(II)","","- C8 H12 N22 Ni -","- C8 H12 N22 Ni -","- C16 H24 N44 Ni2 -","2","0.25","GD1336","Lyakhov, Alexander S.; Gaponik, Pavel N.; Pytleva, Darya S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis[1,3-bis(2-methyltetrazol-5-yl-κ<i>N</i>^4^)triazenido-κ<i>N</i>^2^]nickel(II)","Acta Crystallographica Section C","2004","60","9","m421","m422","10.1107/S0108270104016087","","","0.71073","MoKα","","0.0438","0.0394","","","0.1139","0.1205","","","","","","1.065","","","","has coordinates,has Fobs","301798","2025-08-19","06:42:15",""
"2014392","20.8531","0.0005","20.8531","0.0005","6.0377","0.0002","90","","90","","90","","2625.5","0.12","120","2","120","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Benzyl 3,5-dinitrobenzoate?","","- C14 H10 N2 O6 -","- C14 H10 N2 O6 -","- C112 H80 N16 O48 -","8","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.0581","0.0432","","","0.0958","0.103","","","","","","1.053","","","","has coordinates,has Fobs","301798","2025-08-19","06:42:16",""
"2018673","13.808","0.006","13.808","0.006","9.219","0.004","90","","90","","90","","1757.7","1.3","150","2","150","2","","","","","","","","4","P 42/n :2","-P 4bc","86","ninhydrin dihydrazone","(1<i>Z</i>,3<i>Z</i>)-1,3-dihydrazinylidene-1<i>H</i>-inden-2(3<i>H</i>)-one","","- C9 H8 N4 O -","- C9 H8 N4 O -","- C72 H64 N32 O8 -","8","1","UK3049","Blake, Alexander J.; Chebude, Yonas; Tadesse, Haregewine; Wondimu, Berhanu","1,3-Ninhydrin dihydrazone featuring an <i>R</i>~4~^4^(12) motif with f̱ øverline{4} symmetry and comprising only N and H atoms","Acta Crystallographica Section C","2012","68","9","o362","o364","10.1107/S0108270112034749","","","0.71073","MoKα","","0.0706","0.0388","","","0.088","0.098","","","","","","0.92","","","","has coordinates,has Fobs","301798","2025-08-19","06:44:13",""
"2019827","7.8655","0.0004","7.8655","0.0004","7.7938","0.0006","90","","90","","90","","482.17","0.05","293","2","293","2","","","","","","","Langban, Sweden","4","P 42/n :2","-P 4bc","86","Tetrawickmanite","Manganese(II) tin(IV) hexahydroxide]","Tetrawickmanite","- H6 Mn O6 Sn -","- H6 Mn O6 Sn -","- H24 Mn4 O24 Sn4 -","4","0.5","WM5112","Lafuente, Barbara; Yang, Hexiong; Downs, Robert T.","Crystal structure of tetrawickmanite, Mn2+Sn4+(OH)6","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","234","237","10.1107/S2056989015001632","","","0.71073","MoKα","","0.0516","0.0205","","","0.046","0.0557","","","","","","1.004","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:06",""
"2022889","22.55","0.004","22.55","0.004","6.8267","0.0001","90","","90","","90","","3471.4","0.9","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0839","0.0576","","","0.1209","0.131","","","","","","1.087","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:34",""
"2104894","16.3271","0.0002","16.3271","0.0002","14.8304","0.0002","90","","90","","90","","3953.4","0.09","283","2","283","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-manganese(ii)-di-vanadium","","- C12 H16 Mn N8 O6 V2 -","- C12 H16 Mn N8 O6 V2 -","- C96 H128 Mn8 N64 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0644","0.0478","","","","0.0746","","","2.5912","","","2.5912","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104895","16.3615","0.0002","16.3615","0.0002","14.803","0.0002","90","","90","","90","","3962.74","0.09","295","2","295","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-manganese(ii)-di-vanadium","","- C12 H16 Mn N8 O6 V2 -","- C12 H16 Mn N8 O6 V2 -","- C96 H128 Mn8 N64 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0686","0.04","","","","0.0601","","","2.0553","","","2.0553","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104898","16.2544","0.0002","16.2544","0.0002","14.5532","0.0002","90","","90","","90","","3845.04","0.09","180","2","180","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-cobalt(ii)-di-vanadium","","- C12 H16 Co N8 O6 V2 -","- C12 H16 Co N8 O6 V2 -","- C96 H128 Co8 N64 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0447","0.032","","","","0.0495","","","","","","1.8045","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104899","16.2666","0.0003","16.2666","0.0003","14.6057","0.0002","90","","90","","90","","3864.7","0.11","295","2","295","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-cobalt(ii)-di-vanadium","","- C12 H16 Co N8 O6 V2 -","- C12 H16 Co N8 O6 V2 -","- C96 H128 Co8 N64 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0453","0.0333","","","","0.047","","","","","","1.5614","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104901","16.1988","0.0002","16.1988","0.0002","14.5589","0.0002","90","","90","","90","","3820.27","0.08","295","2","295","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-nickel(ii)-di-vanadium","","- C12 H16 N8 Ni O6 V2 -","- C12 H16 N8 Ni O6 V2 -","- C96 H128 N64 Ni8 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0444","0.0314","","","","0.0481","","","","","","1.6997","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105056","18.6351","0.0001","18.6351","0.0001","6.528","0.001","90","","90","","90","","2267","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C6 H7 Br2 O7 Rb -","- C6 H7 Br2 O7 Rb -","- C48 H56 Br16 O56 Rb8 -","8","1","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0436","","","","0.1363","","","","","","1.205","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:50",""
"2105057","18.9442","0.0001","18.9442","0.0001","6.673","0.0001","90","","90","","90","","2394.82","0.04","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C6 H7 Br2 Cs O7 -","- C6 H7 Br2 Cs O7 -","- C48 H56 Br16 Cs8 O56 -","8","1","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0464","","","","0.139","","","","","","1.153","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:50",""
"2105438","7.541","","7.541","","4.012","","90","","90","","90","","228.149","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","La Ru4 B4","","- B4 La Ru4 -","- B4 La Ru4 -","- B8 La2 Ru8 -","2","0.25","","Gruettner, A.; Yvon, K.","Lanthanum ruthenium boride, La Ru4 B4","Acta Crystallographica B (24,1968-38,1982)","1979","35","","451","453","10.1107/S0567740879003757","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105567","15.83","0.02","15.83","0.02","7.016","0.011","90","","90","","90","","1758","4","295","2","568","2","","","","","","","","3","P 42/n :2","-P 4bc","86","penicillic acid","4-methoxy-5-hydroxy-5-(2'allyl)-2,5-dihydrofuran-2-one","","- C8 H10 O4 -","- C8 H10 O4 -","- C64 H80 O32 -","8","1","FR0001","Valente, E. J.; Fuller, J. F.; Ball, J. D.","Pseudoacids. I. 4- and 5-Oxoacids","Acta Crystallographica Section B","1998","54","2","162","173","10.1107/S010876819701149X","","","0.71073","MoKα","","0.1411","0.0557","","0.1406","0.1144","","","","0.838","1.481","1.481","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106574","14.876","","14.876","","17.218","","90","","90","","90","","3810.26","","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","(N H4)2 (Cu (H2 O)6) (Cu S O3)4","","- Cu5 H20 N2 O18 S4 -","- Cu5 N2 O18 S4 -","- Cu40 N16 O144 S32 -","8","1","","Nyberg, B.","The crystal structure of (N H4)2 (Cu (H2 O)6) (Cu S O3)4","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1418","1421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106741","10.224","","10.224","","5.189","","90","","90","","90","","542.407","","","","","","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Nb3 Si -","- Nb3 Si -","- Nb24 Si8 -","8","1","","Waterstrat, R.M.; Flack, H.D.; Yvon, K.; Parthe, E.","Refinement of Nb3 Si Nb3 As","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2765","2769","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106743","10.294","","10.294","","5.199","","90","","90","","90","","550.92","","","","","","","","","","","","","2","P 42/n :2","-P 4bc","86","","Nb3 As","","- As Nb3 -","- As Nb3 -","- As8 Nb24 -","8","1","","Waterstrat, R.M.; Yvon, K.; Flack, H.D.; Parthe, E.","Refinement of Nb3 Si Nb3 As","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2765","2769","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107173","9.7329","","9.7329","","6.1566","","90","","90","","90","","583.211","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I8 Li8 O24 -","8","1","","Schulz, H.","The structure of beta-Li I O3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2285","2289","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:26",""
"2107246","11.187","","11.187","","6.189","","90","","90","","90","","774.547","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","N4 P4 Br8","","- Br8 N4 P4 -","- Br8 N4 P4 -","- Br16 N8 P8 -","2","0.25","","Zoer, H.; Wagner, A.J.","The crystal structure of compounds with (N-P)n rings. IX. Octabromocyclotetraphosphazene, N4 P4 Br8","Acta Crystallographica B (24,1968-38,1982)","1972","28","","252","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:26",""
"2201908","17.797","0.002","17.797","0.002","20.6","0.002","90","","90","","90","","6524.7","1.2","150","","150","","","","","","","","","5","P 42/n :2","-P 4bc","86","","Tetraaquatetrakis[2-(2-hydroxyethylamino)ethanolato]tetracopper(II) tetranitrate 14/3-hydrate","","- C16 H57.3333 Cu4 N8 O28.6667 -","- C16 H48 Cu4 N8 O28.6667 -","- C96 H288 Cu24 N48 O172 -","6","0.75","CM6031","Vinogradova, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Tetraaquatetrakis[2-(2-hydroxyethylamino)ethanolato]tetracopper(II) tetranitrate 14/3-hydrate","Acta Crystallographica Section E","2003","59","4","m148","m151","10.1107/S1600536803004690","","","0.71073","MoKα","","0.129","0.064","","0.114","","0.087","","","1.018","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2202710","15.285","0.009","15.285","","6.732","0.005","90","","90","","90","","1572.8","1.5","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","trans-Bis(benzylamine)dichloropalladium(II)","","- C14 H18 Cl2 N2 Pd -","- C14 H18 Cl2 N2 Pd -","- C56 H72 Cl8 N8 Pd4 -","4","0.5","LH6113","Sui-Seng, Christine; Zargarian, Davit","<i>trans</i>-Bis(benzylamine)dichloropalladium(II)","Acta Crystallographica Section E","2003","59","10","m957","m958","10.1107/S1600536803020919","","","1.54178","CuKα","","0.052","0.037","","","0.117","0.137","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204210","21.211","0.0009","21.211","0.0009","7.894","0.0004","90","","90","","90","","3551.6","0.3","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","1-(3-Mesityl-3-methylcyclobutyl)-2-(pyrrolidin-1-yl)ethan-1-one","","- C20 H29 N O -","- C20 H29 N O -","- C160 H232 N8 O8 -","8","1","OB6401","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan","1-(3-Mesityl-3-methylcyclobutyl)-2-(pyrrolidin-1-yl)ethan-1-one","Acta Crystallographica Section E","2004","60","9","o1523","o1524","10.1107/S1600536804019002","","","0.71073","MoKα","","0.1224","0.0681","","","0.1789","0.1941","","","","","","1.013","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:48",""
"2204464","16.334","0.002","16.334","0.002","13.975","0.002","90","","90","","90","","3728.5","0.8","294","2","294","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","9-[4-(1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxoacridin- 9-yl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine- 1,8-dione dihydrate","","- C40 H52 N2 O6 -","- C40 H52 N2 O6 -","- C160 H208 N8 O24 -","4","0.5","CI6460","Chang-Sheng Yao; Chen-Xia Yu; Shu-Jiang Tu; Da-Qing Shi; Xiang-Shan Wang","9-[4-(1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxoacridin-9-yl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine-1,8-dione dihydrate","Acta Crystallographica Section E","2004","60","11","o2022","o2024","10.1107/S1600536804025462","","","0.71073","MoKα","","0.1334","0.0591","","","0.1372","0.16","","","","","","0.809","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:48",""
"2204466","18.23","0.003","18.23","0.003","8.531","0.002","90","","90","","90","","2835.1","0.9","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Tetrakis{μ-1-[2-(2-oxidoethylamino)ethyliminomethyl]-2- naphtholato}tetrazinc(II)","","- C60 H64 N8 O8 Zn4 -","- C60 H64 N8 O8 Zn4 -","- C120 H128 N16 O16 Zn8 -","2","0.25","CI6463","You, Zhong-Lu; Ma, Ji-Long; Zhu, Hai-Liang; Liu, Wei-Sheng","Tetrakis{μ-1-[2-(2-oxidoethylamino)ethyliminomethyl]-2-naphtholato}tetrazinc(II)","Acta Crystallographica Section E","2004","60","11","m1599","m1601","10.1107/S1600536804024997","","","0.71073","MoKα","","0.0557","0.0421","","","0.0993","0.1039","","","","","","0.97","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:48",""
"2205157","17.61","0.001","17.61","0.001","17.206","0.001","90","","90","","90","","5335.8","0.5","295","2","295","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^N,N',O]cobalt(III) nitrate","","- C26 H20 Br2 Co N5 O5 -","- C26 H20 Br2 Co N5 O5 -","- C208 H160 Br16 Co8 N40 O40 -","8","1","SU6156","Sun, Yu-Xi","Bis[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(III) nitrate","Acta Crystallographica Section E","2005","61","2","m335","m337","10.1107/S1600536805001182","","","0.71073","MoKα","","0.0667","0.0392","","","0.0902","0.1045","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206125","18.1814","0.0008","18.1814","0.0008","8.546","0.0007","90","","90","","90","","2825","0.3","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","cyclo-Tetrakis{μ-1-[2-(2-oxidoethylamino)ethyliminomethyl]naphthalen-2- olato}tetranickel(II)","","- C60 H64 N8 Ni4 O8 -","- C60 H64 N8 Ni4 O8 -","- C120 H128 N16 Ni8 O16 -","2","0.25","BR6196","Ma, Ji-Long; You, Zhong-Lu; Zhu, Hai-Liang","<i>cyclo</i>-Tetrakis{μ-1-[2-(2-oxidoethylamino)ethyliminomethyl]naphthalen-2-olato}tetranickel(II)","Acta Crystallographica Section E","2005","61","7","m1258","m1260","10.1107/S1600536805017058","","","0.71073","MoKα","","0.0621","0.0486","","","0.1156","0.1233","","","","","","1.056","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:52",""
"2206294","17.608","0.003","17.608","0.003","17.224","0.003","90","","90","","90","","5340.2","1.6","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[4-Bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]manganese(III) nitrate","","- C26 H20 Br2 Mn N5 O5 -","- C26 H20 Br2 Mn N5 O5 -","- C208 H160 Br16 Mn8 N40 O40 -","8","1","SJ6100","Wang, Nong","Bis[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]manganese(III) nitrate","Acta Crystallographica Section E","2005","61","7","m1304","m1306","10.1107/S1600536805017757","","","0.71073","MoKα","","0.0873","0.0463","","","0.1045","0.1252","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","301803","2025-08-19","11:20:52",""
"2207904","23.314","0.0006","23.314","0.0006","7.7925","0.0004","90","","90","","90","","4235.6","0.3","292","2","292","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","5-Benzylamino-6-phenyl-2-propylsulfanylthiazolo[5,4-d]pyrimidin-7(6H)-one","","- C21 H20 N4 O S2 -","- C21 H20 N4 O S2 -","- C168 H160 N32 O8 S16 -","8","1","SU6249","Nian-Yu Huang; Ju-Zhen Yuan; Rui-Jun Xu; Ming-Wu Ding; Hongwu He","5-Benzylamino-6-phenyl-2-propylsulfanylthiazolo[5,4-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2006","62","1","o88","o90","10.1107/S1600536805039929","","","0.71073","MoKα","","0.1213","0.0659","","","0.1543","0.1825","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209189","16.572","0.002","16.572","0.002","7.7879","0.0016","90","","90","","90","","2138.8","0.6","293","2","293","2","","","","","","","","3","P 42/n :2","-P 4bc","86","1-Diamantanol","1-Hydroxydiamantane","","- C14 H20 O -","- C14 H20 O -","- C112 H160 O8 -","8","1","HB2052","Chu-Yi Yu; Qian Li; Li-Ben Wang; Hong-Wei Ma","1-Hydroxydiamantane","Acta Crystallographica Section E","2006","62","6","o2369","o2370","10.1107/S160053680601796X","","","0.71073","MoKα","","0.0598","0.0485","","","0.143","0.1489","","","","","","1.048","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:59",""
"2209409","10.61","0.001","10.61","0.001","13.335","0.001","90","","90","","90","","1501.1","0.2","95","2","95","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","trans-Dichloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride","","- C10 H24 Cl3 Co N4 -","- C10 H24 Cl3 Co N4 -","- C40 H96 Cl12 Co4 N16 -","4","0.5","BT2100","Radoslava Ivaniková; Svoboda, Ingrid; Fuess, Hartmut; Mašlejová, Anna","<i>trans</i>-Dichloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride","Acta Crystallographica Section E","2006","62","7","m1553","m1554","10.1107/S1600536806021830","","","0.71073","MoKα","","0.0324","0.0201","","","0.0542","0.0565","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209968","9.2676","0.0007","9.2676","0.0007","15.55","0.002","90","","90","","90","","1335.6","0.2","291","2","291","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Poly[bis[bis(ethylenediamine)copper(II)]-tetra-μ-cyano- [tetracyanomolybdate(IV)]]","","- C16 H32 Cu2 Mo N16 -","- C16 H32 Cu2 Mo N16 -","- C32 H64 Cu4 Mo2 N32 -","2","0.25","OM2025","Shu-Zhong Zhan; Jian-Ge Wang; Bang-Tun Zhao; Zhi-Yuan Huang; Min-lang Cai","Poly[bis[bis(ethylenediamine)copper(II)]-tetra-μ-cyano-[tetracyanomolybdate(IV)]]","Acta Crystallographica Section E","2006","62","8","m1845","m1846","10.1107/S1600536806026535","","","0.71073","MoKα","","0.0358","0.0265","","","0.056","0.0589","","","","","","0.96","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210812","19.137","0.003","19.137","0.003","9.417","0.0019","90","","90","","90","","3448.7","1","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Methyl 2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carboxylate","","- C21 H16 F N O3 -","- C21 H16 F N O3 -","- C168 H128 F8 N8 O24 -","8","1","WN2061","Guo, Cheng; Tang, Qing-Gang; Ji, Chun-Xiang; Zhang, Dong-Mei; Sun, Hong-Shun","Methyl 2-amino-4-(2-fluorophenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2006","62","10","o4750","o4751","10.1107/S1600536806035975","","","0.71073","MoKα","","0.0883","0.047","","","0.1139","0.134","","","","","","0.986","","","","has coordinates,has Fobs","301804","2025-08-19","12:25:32",""
"2212462","14.145","0.003","14.145","0.003","11.165","0.003","90","","90","","90","","2233.9","0.9","294","2","294","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Aquabis(dichloroacetato-κO)bis(nicotinamide-κN)copper(II)","","- C16 H16 Cl4 Cu N4 O7 -","- C16 H16 Cl4 Cu N4 O7 -","- C64 H64 Cl16 Cu4 N16 O28 -","4","0.5","BI2155","Moncol, Jan; Maroszová, Jaroslava; Múdra, Marcela; Lis, Tadeusz; Koman, Marian","Aquabis(dichloroacetato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2007","63","3","m743","m745","10.1107/S1600536807006423","","","0.71073","MoKα","","0.0902","0.0354","","","0.0702","0.0773","","","","","","1.006","","","","has coordinates,has Fobs","301804","2025-08-19","12:25:35",""
"2214134","10.394","0.0008","10.394","0.0008","8.9094","0.001","90","","90","","90","","962.53","0.15","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Poly[ethylenediammonium di-μ~4~-phosphatodizincate(II)]","","- C2 H10 N2 O8 P2 Zn2 -","- C2 H10 N2 O8 P2 Zn2 -","- C8 H40 N8 O32 P8 Zn8 -","4","0.5","CV2252","Pan, Jian-Xin; Yang, Guo-Yu","Poly[ethylenediammonium di-μ~4~-phosphatodizincate(II)]","Acta Crystallographica Section E","2007","63","7","m1925","m1925","10.1107/S1600536807028140","","","0.71073","MoKα","","","0.0469","","","0.1097","0.1277","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216080","16.968","0.006","16.968","0.006","5.8668","0.0017","90","","90","","90","","1689.1","1","103","2","103","2","","","","","","","","4","P 42/n :2","-P 4bc","86","diferrocenylethene","<i>trans</i>-1,2-Diferrocenyl-1,2-difluoroethene","","- C22 H18 F2 Fe2 -","- C22 H18 F2 Fe2 -","- C88 H72 F8 Fe8 -","4","0.5","OM2164","Noriyoshi Nagahora; Akihiro Yuasa; Takahiro Sasamori; Norihiro Tokitoh","<i>trans</i>-1,2-Diferrocenyl-1,2-difluoroethene","Acta Crystallographica Section E","2007","63","11","m2702","m2702","10.1107/S1600536807048842","","","0.7107","MoKα","","0.0407","0.0349","","","0.0652","0.0672","","","","","","1.216","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217371","19.604","0.004","19.604","0.004","7.542","0.003","90","","90","","90","","2898.5","1.4","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","2-Anilino-4,6-dimethylpyrimidinium chloroacetate","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C112 H128 Cl8 N24 O16 -","8","1","XU2368","Jia-cheng Li; Xue-qing Qiu; Yu-hong Feng; Qiang Lin","2-Anilino-4,6-dimethylpyrimidinium chloroacetate","Acta Crystallographica Section E","2008","64","1","o318","o318","10.1107/S1600536807064422","","","0.71073","MoKα","","0.0607","0.0473","","","0.1284","0.1409","","","","","","1.034","","","","has coordinates,has Fobs","301804","2025-08-19","12:26:31",""
"2218649","18.1324","0.0003","18.1324","0.0003","13.3813","0.0003","90","","90","","90","","4399.56","0.14","100","0.1","100","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","","tetraaquatetrakis{μ~3~-6,6'-dioxido-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}octazinc(II) dimethyl sulfoxide tetrasolvate dihydrate","","- C88 H84 N8 O26 S4 Zn8 -","- C88 H84 N8 O26 S4 Zn8 -","- C176 H168 N16 O52 S8 Zn16 -","2","0.25","CI2611","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana","An octanuclear zinc(II) complex with 6,6'-dihydroxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2008","64","7","m912","m913","10.1107/S1600536808017340","","","0.71073","MoKα","","0.0936","0.0498","","","0.1159","0.1379","","","","","","1.02","","","","has coordinates,has Fobs","301804","2025-08-19","12:26:40",""
"2219392","21.635","0.009","21.635","0.009","8.262","0.002","90","","90","","90","","3867","2","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","(2<i>R</i>,3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>,9<i>R</i>,10a<i>R</i>, 11<i>S</i>,14<i>R</i>,14a<i>S</i>)-<i>rel</i>-3a,4,7,7a,10a,11,14,14a- Octahydro-4,14:7,11-diepoxy-2,9-propanonaphtho[1,2-f:5,6-f']diisoindole- 1,3,8,10-tetrone","","- C25 H18 N2 O6 -","- C25 H18 N2 O6 -","- C200 H144 N16 O48 -","8","1","LH2675","Thibault, Michelle E.; Parvez, Masood; Dibble, Peter W.","(2<i>R</i>,3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>,9<i>R</i>,10a<i>R</i>,11<i>S</i>,14<i>R</i>,14a<i>S</i>)-<i>rel</i>-3a,4,7,7a,10a,11,14,14a-Octahydro-4,14:7,11-diepoxy-2,9-propanonaphtho[1,2-<i>f</i>:5,6-<i>f</i>']diisoindole-1,3,8,10-tetrone (9CI): a cyclophane derived from naphtho[1,2-<i>c</i>:5,6-<i>c</i>]difuran","Acta Crystallographica Section E","2008","64","9","o1837","","10.1107/S1600536808025397","","","0.71073","MoKα","","0.069","0.041","","","0.095","0.107","","","","","","1.02","","","","has coordinates,has Fobs","301804","2025-08-19","12:26:42",""
"2219472","17.179","0.002","17.179","0.002","7.0929","0.0015","90","","90","","90","","2093.2","0.6","298","2","298","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Ethylenediammonium bis(5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazol-1-ide)","","- C22 H28 N6 O2 -","- C22 H28 N6 O2 -","- C88 H112 N24 O8 -","4","0.5","ZL2127","Xu, Ruibo; Xu, Xingyou; Wang, Daqi; Yang, Xujie; Wang, Xin","Ethylenediammonium bis(5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazol-1-ide): a hydrogen-bond-supported supramolecular ionic assembly","Acta Crystallographica Section E","2008","64","9","o1808","o1809","10.1107/S1600536808026378","","","0.71073","MoKα","","0.0754","0.0426","","","0.1087","0.1406","","","","","","1.044","","","","has coordinates,has Fobs","301804","2025-08-19","12:26:42",""
"2220599","26.6517","0.0003","26.6517","0.0003","4.4238","0.0001","90","","90","","90","","3142.28","0.09","100","0.1","100","0.1","","","","","","","","4","P 42/n :2","-P 4bc","86","","(<i>E</i>)-1-(4-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 Br O4 -","- C18 H17 Br O4 -","- C144 H136 Br8 O32 -","8","1","PK2134","Suwunwong, Thitipone; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-1-(4-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","1","o120","","10.1107/S1600536808041780","","","0.71073","MoKα","","0.0662","0.0331","","","0.0827","0.0966","","","","","","1.073","","","","has coordinates,has Fobs","301805","2025-08-19","13:55:05",""
"2222274","14.4118","0.0002","14.4118","0.0002","12.0995","0.0002","90","","90","","90","","2513.07","0.06","100","","100","0.1","","","","","","","","4","P 42/n :2","-P 4bc","86","","2-Methoxy-6-(6-methyl-1<i>H</i>-benzimidazol-2-yl)phenol","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","CI2825","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Quah, Ching Kheng; Fun, Hoong-Kun; Adnan, Rohana","2-Methoxy-6-(6-methyl-1<i>H</i>-benzimidazol-2-yl)phenol","Acta Crystallographica Section E","2009","65","7","o1613","o1614","10.1107/S1600536809022478","","","0.71073","MoKα","","0.0703","0.054","","","0.144","0.1564","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","301805","2025-08-19","13:57:08",""
"2223252","14.4412","0.0016","14.4412","0.0016","9.094","0.002","90","","90","","90","","1896.5","0.5","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Tetra-μ-oxido-tetrakis{dioxido[3-(2-pyridyl)-1<i>H</i>-pyrazole]molybdenum(VI)}","","- C32 H28 Mo4 N12 O12 -","- C32 H28 Mo4 N12 O12 -","- C64 H56 Mo8 N24 O24 -","2","0.25","ZQ2001","Li, Dacheng; Liu, Ying; Wei, Peihai; Hu, Bo; Zhang, Xiutang","Tetra-μ-oxido-tetrakis{dioxido[3-(2-pyridyl)-1<i>H</i>-pyrazole]molybdenum(VI)}","Acta Crystallographica Section E","2009","65","9","m1074","","10.1107/S1600536809031717","","","0.71073","MoKα","","0.036","0.024","","","0.056","0.064","","","","","","1","","","","has coordinates,has Fobs","301805","2025-08-19","13:57:12",""
"2223656","15.1932","0.0002","15.1932","0.0002","17.718","0.0003","90","","90","","90","","4089.9","0.1","100","0.1","100","0.1","","","","","","","","5","P 42/n :2","-P 4bc","86","","4,4-Dimethyl-2-tosyl-1,2,3,3a,4,11b-hexahydro-11<i>H</i>- pyrrolo[3,4-<i>c</i>]pyrano[5,6-<i>c</i>]chromen-11-one 0.125-hydrate","","- C23 H23.25 N O5.125 S -","- C23 H23.25 N O5.125 S -","- C184 H186 N8 O41 S8 -","8","1","BT5116","Chinnakali, K.; Sudha, D.; Jayagobi, M.; Raghunathan, R.; Fun, Hoong-Kun","4,4-Dimethyl-2-tosyl-1,2,3,3a,4,11b-hexahydro-11<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrano[5,6-<i>c</i>]chromen-11-one 0.125-hydrate","Acta Crystallographica Section E","2009","65","11","o2943","o2944","10.1107/S1600536809044730","","","0.71073","MoKα","","0.0478","0.0394","","","0.1041","0.109","","","","","","1.047","","","","has coordinates,has Fobs","301805","2025-08-19","13:57:12",""
"2223864","11.1621","0.0005","11.1621","0.0005","9.588","0.0009","90","","90","","90","","1194.59","0.14","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Tetrakis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)palladium(IV) dihydrate","","- C24 H20 N4 O10 Pd -","- C24 H20 N4 O10 Pd -","- C48 H40 N8 O20 Pd2 -","2","0.25","IS2464","Kim, Nam-Ho; Ha, Kwang","Tetrakis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)palladium(IV) dihydrate","Acta Crystallographica Section E","2009","65","11","m1274","","10.1107/S1600536809039270","","","0.71073","MoKα","","0.0597","0.0337","","","0.0763","0.1035","","","","","","1.205","","","","has coordinates,has Fobs","301805","2025-08-19","13:57:13",""
"2225189","19.125","0.002","19.125","0.002","7.9993","0.0019","90","","90","","90","","2925.9","0.8","294","2","294","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","(<i>Z</i>)-3-(2-Methoxyanilino)-1-phenylbut-2-en-1-one","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","BV2137","Zhang, Li-Ping; Qi, Li-Yun; Fang, Yun","(<i>Z</i>)-3-(2-Methoxyanilino)-1-phenylbut-2-en-1-one","Acta Crystallographica Section E","2010","66","3","o576","","10.1107/S1600536810004460","","","0.71073","MoKα","","0.1197","0.0417","","","0.0875","0.1151","","","","","","1.016","","","","has coordinates,has Fobs","301805","2025-08-19","13:58:05",""
"2226804","16.8418","0.001","16.8418","0.001","7.8372","0.0006","90","","90","","90","","2223","0.3","200","2","200","2","","","","","","","","4","P 42/n :2","-P 4bc","86","guanidinium phenylacetate","Guanidinium 2-phenylacetate","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C72 H104 N24 O16 -","8","1","BV2147","Smith, Graham; Wermuth, Urs D.","Guanidinium 2-phenylacetate","Acta Crystallographica Section E","2010","66","8","o1947","","10.1107/S1600536810025821","","","0.71073","MoKα","","0.0696","0.0395","","","0.0945","0.101","","","","","","0.925","","","","has coordinates,has Fobs","301805","2025-08-19","13:58:09",""
"2227178","13.4746","0.0008","13.4746","0.0008","18.1073","0.001","90","","90","","90","","3287.6","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","1-(2-Oxoindolin-3-ylidene)-4-[2-(trifluoromethoxy)phenyl]thiosemicarbazide","","- C16 H11 F3 N4 O2 S -","- C16 H11 F3 N4 O2 S -","- C128 H88 F24 N32 O16 S8 -","8","1","BQ2229","Ramzan, Muhammad; Pervez, Humayun; Tahir, M. Nawaz; Yaqub, Muhammad; Iqbal, Mohammad S.","1-(2-Oxoindolin-3-ylidene)-4-[2-(trifluoromethoxy)phenyl]thiosemicarbazide","Acta Crystallographica Section E","2010","66","9","o2447","","10.1107/S1600536810034148","","","0.71073","MoKα","","0.1223","0.069","","","0.1672","0.2019","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","301805","2025-08-19","13:58:10",""
"2227357","15.5402","0.0008","15.5402","0.0008","6.5074","0.0007","90","","90","","90","","1571.5","0.2","150","2","150","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","1,3,5-Triazaadamantan-7-amine","","- C7 H14 N4 -","- C7 H14 N4 -","- C56 H112 N32 -","8","1","CV2767","Thomson, Jaclyn; Chisholm, Danielle M.; Oliver, Allen G.; McIndoe, J. Scott","1,3,5-Triazaadamantan-7-amine","Acta Crystallographica Section E","2010","66","10","o2637","","10.1107/S1600536810037657","","","0.71073","MoKα","","0.0457","0.0385","","","0.118","0.1219","","","","","","1.518","","","","has coordinates,has Fobs","301805","2025-08-19","13:58:11",""
"2228011","17.394","0.002","17.394","0.002","6.3613","0.0006","90","","90","","90","","1924.6","0.4","295","2","295","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","Tetrakis(4-<i>tert</i>-butylbenzyl)silane","","- C44 H60 Si -","- C44 H60 Si -","- C88 H120 Si2 -","2","0.25","SU2206","Burnham, Lauren E.; Kachlan, Rulla M.; Thomas, Andy A.; Ogle, Craig A.; Jones, Daniel S.","Tetrakis(4-<i>tert</i>-butylbenzyl)silane","Acta Crystallographica Section E","2010","66","9","o2442","","10.1107/S1600536810034173","","","1.54184","CuKα","","","0.0409","","","","0.1351","","","","","","1.015","","","","has coordinates,has Fobs","301805","2025-08-19","13:58:12",""
"2228989","23.6897","0.0005","23.6897","0.0005","14.9876","0.0007","90","","90","","90","","8411.1","0.5","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","<i>cyclo</i>-tetrakis(μ-5,10,15,20-tetra-4-pyridylporphyrinato)tetrazinc(II) dimethylformamide octasolvate","","- C184 H158 N40 O11 Zn4 -","- C160 H96 N32 Zn4 -","- C320 H192 N64 Zn8 -","2","0.25","BV2170","Seidel, Rüdiger W.; Graf, Jürgen; Goddard, Richard; Oppel, Iris M.","Redetermination of <i>cyclo</i>-tetrakis(μ-5,10,15,20-tetra-4-pyridylporphyrinato)tetrazinc(II) dimethylformamide octasolvate trihydrate at 100K","Acta Crystallographica Section E","2011","67","2","m236","m237","10.1107/S1600536811002054","","","1.54178","CuKα","","0.047","0.0416","","","0.1046","0.1075","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229234","11.6862","0.0004","11.6862","0.0004","17.1665","0.0013","90","","90","","90","","2344.4","0.2","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","4-<i>tert</i>-Butylpyridinium triiodide‒4-<i>tert</i>-butylpyridine (1/1)","","- C18 H27 I3 N2 -","- C17.94 H26.82 I3 N2 -","- C71.76 H107.28 I12 N8 -","4","0.5","SJ5091","He, Hongshan; Sykes, Andrew G.","4-<i>tert</i>-Butylpyridinium triiodide‒4-<i>tert</i>-butylpyridine (1/1)","Acta Crystallographica Section E","2011","67","2","o434","","10.1107/S1600536811001371","","","0.71073","MoKα","","0.0491","0.037","","","0.0819","0.0903","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229252","17.8881","0.0007","17.8881","0.0007","7.2129","0.0003","90","","90","","90","","2308.01","0.16","200","2","200","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","2-[(4-Methylphenyl)sulfanyl]aniline","","- C13 H13 N S -","- C13 H13 N S -","- C104 H104 N8 S8 -","8","1","TK2711","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","2-[(4-Methylphenyl)sulfanyl]aniline","Acta Crystallographica Section E","2011","67","2","o489","","10.1107/S1600536811002820","","","0.71073","MoKα","","0.0962","0.0751","","","0.1404","0.1472","","","","","","1.195","","","","has coordinates,has Fobs","301805","2025-08-19","13:58:36",""
"2231784","11.083","0.005","11.083","0.005","9.548","0.005","90","","90","","90","","1172.8","1","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Tetrakis(picolinato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dihydrate","","- C24 H20 N4 O10 Zr -","- C24 H20 N4 O10 Zr -","- C48 H40 N8 O20 Zr2 -","2","0.25","ZQ2119","Steyn, Maryke; Visser, Hendrik G.; Roodt, Andreas; Muller, T. J.","Tetrakis(picolinato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dihydrate","Acta Crystallographica Section E","2011","67","9","m1240","m1241","10.1107/S1600536811031710","","","0.71073","MoKα","","0.0447","0.0374","","","","0.1002","","","","","","1.098","","","","has coordinates,has Fobs","301806","2025-08-19","15:27:07",""
"2233080","19.7122","0.0004","19.7122","0.0004","7.1738","0.0002","90","","90","","90","","2787.53","0.11","294","2","294","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","<i>N</i>-[2-(4-Bromobenzoyl)ethyl]isopropylaminium chloride","","- C12 H17 Br Cl N O -","- C12 H17 Br Cl N O -","- C96 H136 Br8 Cl8 N8 O8 -","8","1","BH2400","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Mete, Ebru; Sahin, Ertan","<i>N</i>-[2-(4-Bromobenzoyl)ethyl]isopropylaminium chloride","Acta Crystallographica Section E","2012","68","1","o71","","10.1107/S1600536811052640","","","0.71073","MoKα","","0.1359","0.0761","","","0.1539","0.1805","","","","","","1.068","","","","has coordinates","301806","2025-08-19","15:27:12",""
"2234265","16.0822","0.0001","16.0822","0.0001","9.0114","0.0002","90","","90","","90","","2330.68","0.06","153","2","153","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","<i>catena</i>-Poly[(chloridozinc)-μ-5-(1-methyl-1<i>H</i>-benzimidazol- 2-yl-κ<i>N</i>^3^)-1,2,3-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]","","- C10 H8 Cl N5 Zn -","- C10 H8 Cl N5 Zn -","- C80 H64 Cl8 N40 Zn8 -","8","1","HY2526","Sun, Chen-Guang; Song, Ji-Rong","<i>catena</i>-Poly[(chloridozinc)-μ-5-(1-methyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)-1,2,3-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2012","68","4","m520","","10.1107/S1600536812012706","","","0.71073","MoKα","","0.0284","0.0237","","","0.0579","0.0608","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235180","15.141","0.002","15.141","0.002","6.422","0.0013","90","","90","","90","","1472.2","0.4","95","2","95","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[<i>trans</i>-dichloridobis(propane-1,3-diamine- κ^2^<i>N</i>,<i>N</i>')chromium(III)] tetrachloridozincate","","- C12 H40 Cl8 Cr2 N8 Zn -","- C12 H40 Cl8 Cr2 N8 Zn -","- C24 H80 Cl16 Cr4 N16 Zn2 -","2","0.25","NK2158","Moon, Dohyun; Subhan, Md Abdus; Choi, Jong-Ha","Bis[<i>trans</i>-dichloridobis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III)] tetrachloridozincate determined using synchrotron radiation","Acta Crystallographica Section E","2012","68","6","m832","","10.1107/S1600536812023355","","","0.9","synchrotron","","0.0678","0.0656","","","0.1952","0.1977","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2244091","10.1072","0.0003","10.1072","0.0003","18.2874","0.0006","90","","90","","90","","1868.16","0.1","100","1","100","1","","","","","","","","2","P 42/n :2","-P 4bc","86","","Lanthanum telluride (1/1.9)","","- La Te1.9 -","- La Te1.9 -","- La20 Te38 -","20","2.5","WM5644","Poddig, Hagen; Doert, Thomas","LaTe~1.9~: a tenfold superstructure of the ZrSSi type","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004844","","x-ray","0.71073","MoKα","","0.0417","0.0271","","","0.0564","0.0606","","","","","","1.122","","","","has coordinates,has Fobs","275428","2022-05-14","01:43:39",""
"2300483","24.5663","0.0003","24.5663","0.0003","6.38601","0.00012","90","","90","","90","","3853.98","0.1","298","2","298","","","","100","","","","FIOCRUZ (Brazil)","6","P 42/n :2","-P 4bc","86","0234","R,S erythro-alpha-2-piperidyl 2,8bis(trifluoromethyl)-4quinolinemethanol hydrochloride","","- C34 H34 Cl2 F12 N4 O3 -","- C34 H34 Cl2 F12 N4 O3 -","- C136 H136 Cl8 F48 N16 O12 -","4","0.5","KK5170","Mendes do Prado, Vânia; Cardoso Seiceira, Rafael; Pitaluga Jr, Altivo; Andrade-Filho, Tarciso; Andrade Alves, Wendel; Reily Rocha, Alexandre; Furlan Ferreira, Fabio","Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species","Journal of Applied Crystallography","2014","47","4","1380","1386","10.1107/S160057671401303X","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0143","2.15","","","","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2310496","7.55","","7.55","","7.47","","90","","90","","90","","425.809","","","","","","","","","","","","Ongopolo mine, Namibia, Africa","4","P 42/n :2","-P 4bc","86","","Fe (Ge (O H)6)","Stottite","- Fe Ge H6 O6 -","- Fe Ge O6 -","- Fe4 Ge4 O24 -","4","0.5","","Strunz, H.; Giglio, M.","Die Kristallstruktur von Stottit: Fe Ge (O H)6","Acta Crystallographica (1,1948-23,1967)","1961","14","","205","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"4000427","12.8441","0.0012","12.8441","0.0012","10.4873","0.0019","90","","90","","90","","1730.1","0.4","168","2","168","2","","","","","","","","4","P 42/n :2","-P 4bc","86","(2) Zn2(OtBu)2(Et)2(py)2","","","- C28 H64 O4 Zn4 -","- C28 H64 O4 Zn4 -","- C56 H128 O8 Zn8 -","2","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0395","0.0293","","","0.0649","0.0688","","","","","","1.059","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002886","12.9065","0.0006","12.9065","0.0006","5.6194","0.0005","90","","90","","90","","936.07","0.1","294","2","294","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- Ce4 Mo2 O11 -","- Ce4 Mo2 O11 -","- Ce16 Mo8 O44 -","4","0.5","","Abeysinghe, Dileka; Huq, Ashfia; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","In Situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La4Mo2O11 and Ce4Mo2O11: Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events during Crystal Growth","Chemistry of Materials","2018","","","","","10.1021/acs.chemmater.8b00072","","","0.71073","MoKα","","0.0445","0.0365","","","0.0875","0.0924","","","","","","1.106","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4003241","14.352","0.009","14.352","0.009","9.142","0.006","90","","90","","90","","1883","2","223","2","223","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H22 N4 O8 S2 Zn -","- C12 H22 N4 O8 S2 Zn -","- C48 H88 N16 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0904","0.0646","","","0.1475","0.1595","","","","","","1.095","","","","has coordinates","231457","2020-10-21","18:00:00",""
"4003242","14.489","0.008","14.489","0.008","9.173","0.005","90","","90","","90","","1925.7","1.8","433","2","433","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H22 N4 O8 S2 Zn -","- C12 H22 N4 O8 S2 Zn -","- C48 H88 N16 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0715","0.0472","","","0.1084","0.1164","","","","","","1.145","","","","has coordinates","231458","2020-10-21","18:00:00",""
"4003501","8.7489","0.0002","8.7489","0.0002","18.9924","0.0009","90","","90","","90","","1453.74","0.08","173","2","173.15","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C30 H22 Co I2 N6 -","- C30 H22 Co I2 N6 -","- C60 H44 Co2 I4 N12 -","2","0.25","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.083","0.0472","","","0.0737","0.0821","","","","","","1.08","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003502","8.8299","0.0009","8.8299","0.0009","19.151","0.003","90","","90","","90","","1493.1","0.3","400","2","400","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C30 H22 Co I2 N6 -","- C30 H22 Co I2 N6 -","- C60 H44 Co2 I4 N12 -","2","0.25","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1488","0.0686","","","0.1019","0.1244","","","","","","1.061","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003685","25.1726","0.0018","25.1726","0.0018","36.76","0.003","90","","90","","90","","23293","3","250","","250","","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Ce38 O33.33 -","- Ce38 O33.3332 -","- Ce76 O66.6664 -","2","0.25","","Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.","Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02740","","x-ray","1.54178","CuKα","","0.4172","0.3723","","","0.7872","0.8067","","","","","","3.644","","","","has coordinates","256461","2020-10-21","18:00:00",""
"4004086","8.7147","0.0002","8.7147","0.0002","15.8569","0.0005","90","","90","","90","","1204.27","0.05","293","2","293","3","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Gd10 S19 -","- Gd9.481 S19.1866 -","- Gd18.962 S38.3732 -","2","0.25","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","10.0431","","","","","","","","has coordinates","281156","2023-02-27","11:00:59",""
"4020564","19.956","0.003","19.956","0.003","6.9569","0.001","90","","90","","90","","2770.6","0.7","203","2","203","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","301812","2025-08-19","20:48:08",""
"4021986","20.0396","0.0009","20.0396","0.0009","6.5949","0.0004","90","","90","","90","","2648.4","0.2","298","","298","","","","","","","","","4","P 42/n :2","-P 4bc","86","","(Z)-2-benzo[1,4]dioxin-2-ylidene-N,N-diethylacetamide","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","1","","Bartolo Gabriele; Giuseppe Salerno; Lucia Veltri; Raffaella Mancuso; Zhiyu Li; Alessandra Crispini; Anna Bellusci","A New Synthesis of 2,3-Dihydrobenzo[1,4]dioxine and 3,4-Dihydro-2H-benzo[1,4]oxazine Derivatives by Tandem Palladium-Catalyzed Oxidative Aminocarbonylation-Cyclization of 2-Prop-2-ynyloxyphenols and 2-Prop-2-ynyloxyanilines","Journal of Organic Chemistry","2006","71","","7895","7898","10.1021/jo061229l","","","0.71073","MoKα","","0.0795","0.0551","","","0.1668","0.1989","","","","","","1.069","","","","has coordinates","301812","2025-08-19","20:48:12",""
"4022603","20.05","0.001","20.05","0.001","7.09","0.002","90","","90","","90","","2850.1","0.8","198","2","198","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C16 H23 N O -","- C16 H23 N O -","- C128 H184 N8 O8 -","8","1","","Guillaume Bélanger; Myriam April; Étienne Dauphin; Stéphanie Roy","Effect of Substitution on the Intramolecular 1,3-Dipolar Cycloaddition of Alkene Tethered Münchnones","Journal of Organic Chemistry","2007","72","","1104","1111","10.1021/jo061556t","","x-ray","1.54176","cukα","","0.1763","0.0907","","","0.2324","0.2793","","","","","","0.969","","","","has coordinates,has disorder","301812","2025-08-19","20:48:15",""
"4022898","33.335","0.005","33.343","0.004","6.1898","0.0008","90","","90","","90","","6879.9","1.6","100","","100","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C20 H23 B O2 -","- C20 H23 B O2 -","- C320 H368 B16 O32 -","16","2","","Alexander Oehlke; Alexander A. Auer; Ina Jahre; Bernhard Walfort; Tobias Rüffer; Petra Zoufalá; Heinrich Lang; Stefan Spange","Nitro-Substituted Stilbeneboronate Pinacol Esters and Their Fluoro-Adducts. Fluoride Ion Induced Polarity Enhancement of Arylboronate Esters","Journal of Organic Chemistry","2007","72","","4328","4339","10.1021/jo070084v","","","1.54184","CuKα","","0.0596","0.041","","","0.099","0.1133","","","","","","1.051","","","","has coordinates,has disorder","301812","2025-08-19","20:48:15",""
"4023471","17.2667","0.0008","17.2667","0.0008","10.1391","0.0004","90","","90","","90","","3022.9","0.2","113.2","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C42 H44 O2 -","- C42 H44 O2 -","- C168 H176 O8 -","4","0.5","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Taisuke Matsumoto; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Three- and Four-Layered [3.3]Paracyclophanes","Journal of Organic Chemistry","2008","73","","4433","4442","10.1021/jo8003309","","","0.7107","MoKα","","","0.0462","","","","0.1234","","","","","","0.889","","","","has coordinates","301812","2025-08-19","20:48:17",""
"4026510","22.688","0.0005","22.688","0.0005","8.4809","0.0003","90","","90","","90","","4365.5","0.2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H21 Cl N2 O2 S -","- C24 H21 Cl N2 O2 S -","- C192 H168 Cl8 N16 O16 S8 -","8","1","","Yizhe Yan; Kun Xu; Yang Fang; Zhiyong Wang","A Catalyst-Free Benzylic C-H Bond Olefination of Azaarenes for Direct Mannich-like Reactions","Journal of Organic Chemistry","2011","76","","6849","6855","10.1021/jo2008934","","","0.71073","MoKα","","0.0824","0.0541","","","0.1708","0.1838","","","","","","1.069","","","","has coordinates","301812","2025-08-19","20:48:25",""
"4027593","14.6652","0.0005","14.6652","0.0005","7.5699","0.0003","90","","90","","90","","1628.04","0.1","173.1","","173.1","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H44 Cu4 I4 N4 -","- C20 H44 Cu4 I4 N4 -","- C40 H88 Cu8 I8 N8 -","2","0.25","","Mingwen Zhu; Ken-ichi Fujita; Ryohei Yamaguchi","Aerobic Oxidative Amidation of Aromatic and Cinnamic Aldehydes with Secondary Amines by CuI/2-Pyridonate Catalytic System","Journal of Organic Chemistry","2012","77","","9102","9109","10.1021/jo301553v","","","0.71075","MoKα","","","0.032","","","","0.0337","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030335","25.5426","0.0004","25.5426","0.0004","4.6785","0.0001","90","","90","","90","","3052.37","0.09","291","2","291","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","","Li, Dan-Dan; Li, Zhong-Yuan; Wang, Guan-Wu","Catalyst-Free Approach to Construct C-C Bond Initiated by N-O Bond Cleavage under Thermal Conditions.","The Journal of organic chemistry","2014","80","1","190","","10.1021/jo502287y","","","1.54184","CuKα","","0.065","0.0515","","","0.14","0.1534","","","","","","1.04","","","","has coordinates,has disorder","301828","2025-08-20","10:28:58",""
"4030681","13.702","0.001","13.702","0.001","14.192","0.001","90","","90","","90","","2664.5","0.3","","","295","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C40 H48 Cr4 N8 O22 S4 -","- C40 H48 Cr4 N8 O22 S4 -","- C80 H96 Cr8 N16 O44 S8 -","2","0.25","","Cotton, F. A.; Daniels, L. M.; Murillo, C. A.; Zuniga, L. A.","The aqueous chromium sulfate-pyridine system: X-ray structural characterization of chain- and tetranuclear compounds","European Journal of Solid State and Inorganic Chemistry","1994","31","","535","544","","","x-ray","1.54184","CuKα","","","0.038","","","0.047","","","","","","","","","","","has coordinates","301828","2025-08-20","10:28:59",""
"4034110","23.5783","0.0005","23.5783","0.0005","8.8815","0.0004","90","","90","","90","","4937.5","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23.38 H26.75 Cl0.75 I N O7 -","- C23.373 H26.746 Cl0.747 I N O7 -","- C186.984 H213.968 Cl5.976 I8 N8 O56 -","8","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.1086","0.0463","","","0.0884","0.1111","","","","","","1.019","","","","has coordinates","222667","2020-10-21","18:00:00",""
"4038416","14.6097","0.0005","14.6097","0.0005","15.4733","0.0005","90","","90","","90","","3302.67","0.19","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","[2,7,12,17-tetraethyl-3,8,13,18-tetraisopropyl-5,10,15,20-tetraphenylporphyrinato] nickel(II) DCM solvate","","- C65 H70 Cl2 N4 Ni -","- C65 H70 Cl2 N4 Ni -","- C130 H140 Cl4 N8 Ni2 -","2","0.25","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","1.54178","CuKα","","0.0777","0.077","","","0.2202","0.2208","","","","","","1.09","","","","has coordinates","252400","2020-10-21","18:00:00",""
"4060697","19.445","0.002","19.445","0.002","10.489","0.003","90","","90","","90","","3966","1.3","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C19 H19 F6 Fe N2 P -","- C19 H19 F6 Fe N2 P -","- C152 H152 F48 Fe8 N16 P8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4061019","14.558","0.003","14.558","0.003","11.723","0.004","90","","90","","90","","2484.7","1.1","296","2","296","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C65 H48 N12 -","- C65 H48 N12 -","- C130 H96 N24 -","2","0.25","","Bai, Dong-Ren; Wang, Suning","Comparative Study on Tetrahedral and Tripodal Luminescent Silane and Methane Compounds with a 2,2'-Dipyridylamino Group","Organometallics","2004","23","25","5958","5966","10.1021/om049382y","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:34",""
"4061428","15.227","0.006","15.227","0.006","17.212","0.015","90","","90","","90","","3991","4","203","2","203","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C26 H58 O2 Si4 Yb -","- C26 H58 O2 Si4 Yb -","- C104 H232 O8 Si16 Yb4 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061429","14.82","0.004","14.82","0.004","16.579","0.006","90","","90","","90","","3641.1","1.8","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C37.5 H37.5 Eu O Si8 -","- C26 H44 Eu O2 Si4 -","- C104 H176 Eu4 O8 Si16 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061432","14.911","0.002","14.911","0.002","16.907","0.005","90","","90","","90","","3759.1","1.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C26 H58 O2 Si4 Sm -","- C26 H58 O2 Si4 Sm -","- C104 H232 O8 Si16 Sm4 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates","178511","2020-10-21","18:00:00",""
"4061765","25.584","0.001","25.584","0.001","8.459","0.001","90","","90","","90","","5536","0.9","175","","175","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23 H39 Cl N4 Si2 Zr -","- C23 H39 Cl N4 Si2 Zr -","- C184 H312 Cl8 N32 Si16 Zr8 -","8","1","","Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.","New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands","Organometallics","2005","24","23","5586","5603","10.1021/om0506365","","","","","","","0.0692","","","0.0647","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4062000","13.3049","0.0007","13.3049","0.0007","6.2891","0.0005","90","","90","","90","","1113.3","0.12","150","2","150","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C3 H9 Tl -","- C3 H9 Tl -","- C24 H72 Tl8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063441","23.7985","0.0014","23.7985","0.0014","5.9808","0.0003","90","","90","","90","","3387.3","0.3","150","2","150","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C17 H29 O P -","- C17 H29 O P -","- C136 H232 O8 P8 -","8","1","","Chapp, Timothy W.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Platinum-Catalyzed Asymmetric Alkylation of Bis(isitylphosphino)ethane: Stereoselectivity Reversal in Successive Formation of Two P−C Bonds","Organometallics","2010","29","2","378","","10.1021/om900800z","","","0.71073","MoKα","","0.0458","0.0412","","","0.0976","0.1012","","","","","","1.025","","","","has coordinates","301829","2025-08-20","12:17:35",""
"4064330","27.8688","0.0004","27.8688","0.0004","23.52","0.0007","90","","90","","90","","18267.3","0.7","173","2","273","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C96 H136 K N4 O6 Si2 Sm -","- C96 H134 K N4 O6 Si2 Sm -","- C768 H1072 K8 N32 O48 Si16 Sm8 -","8","1","","Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng","Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations","Organometallics","2011","30","8","2252","","10.1021/om200044j","","","0.71073","MoKα","","0.0978","0.0506","","","0.1389","0.1735","","","","","","1.026","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4067327","33.7896","0.0014","33.7896","0.0014","11.2009","0.0006","90","","90","","90","","12788.5","1","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C35 H35 Cl2 N3 O0.5 Ru -","- C35 H35 Cl2 N3 O0.5 Ru -","- C560 H560 Cl32 N48 O8 Ru16 -","16","2","","Szadkowska, Anna; Gstrein, Xaver; Burtscher, Daniel; Jarzembska, Katarzyna; Woźniak, Krzysztof; Slugovc, Christian; Grela, Karol","Latent Thermo-Switchable Olefin Metathesis Initiators Bearing a Pyridyl-Functionalized Chelating Carbene: Influence of the Leaving Group’s Rigidity on the Catalyst’s Performance","Organometallics","2010","29","1","117","","10.1021/om900857w","","","0.71073","MoKα","","0.1199","0.0468","","","0.0791","0.0985","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067460","18.0816","0.0011","18.0816","0.0011","7.3449","0.0007","90","","90","","90","","2401.4","0.3","110","2","110","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C5 H10 B7 Fe O4.5 -","- C5 H10 B7 Fe O4.5 -","- C40 H80 B56 Fe8 O36 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Toward Supramolecular Assembly of 10-Vertex {closo-2,1,10-FeC2B7} Clusters: Intramolecular Imidate Formation and Polymetallic, Polycluster Species","Organometallics","2010","29","10","2234","","10.1021/om900970x","","","0.71073","MoKα","","0.0624","0.0374","","","0.0783","0.0903","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067558","14.7385","0.0002","14.7385","0.0002","14.8789","0.0005","90","","90","","90","","3232.04","0.13","103","2","103","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H48 Fe O4 P2 -","- C32 H48 Fe O4 P2 -","- C128 H192 Fe4 O16 P8 -","4","0.5","","Escobar, Aholibama; Mathey, François","Synthesis of 2,5-Difunctional Phosphaferrocenes","Organometallics","2010","29","4","1053","","10.1021/om9010164","","","0.71073","MoKα","","0.0835","0.0695","","","0.1751","0.1875","","","","","","1.059","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067587","25.6226","0.0007","25.6226","0.0007","9.6058","0.0005","90","","90","","90","","6306.4","0.4","299","2","299","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C38 H78 Cl2 O4 P6 Ru2 -","- C38 H78 Cl2 O4 P6 Ru2 -","- C152 H312 Cl8 O16 P24 Ru8 -","4","0.5","","Wu, Xiang-Hua; Liang, Jin Hua; Xia, Jian-Long; Jin, Shan; Yu, Guang-Ao; Liu, Sheng Hua","Bimetallic Ruthenium Complexes: Synthesis, Characterization, and the Effect of Appending Long Carbon Chains to Their Bridges","Organometallics","2010","29","5","1150","","10.1021/om901025q","","","0.71073","MoKα","","0.1199","0.0715","","","0.164","0.1806","","","","","","1","","","","has coordinates,has disorder","178566","2020-10-21","18:00:00",""
"4067588","25.1492","0.0007","25.1492","0.0007","9.6436","0.0006","90","","90","","90","","6099.4","0.4","200","2","200","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C46 H94 Cl2 O4 P6 Ru2 -","- C46 H94 Cl2 O4 P6 Ru2 -","- C184 H376 Cl8 O16 P24 Ru8 -","4","0.5","","Wu, Xiang-Hua; Liang, Jin Hua; Xia, Jian-Long; Jin, Shan; Yu, Guang-Ao; Liu, Sheng Hua","Bimetallic Ruthenium Complexes: Synthesis, Characterization, and the Effect of Appending Long Carbon Chains to Their Bridges","Organometallics","2010","29","5","1150","","10.1021/om901025q","","","0.71073","MoKα","","0.0614","0.0514","","","0.1355","0.1435","","","","","","1.109","","","","has coordinates,has disorder","178566","2020-10-21","18:00:00",""
"4068790","20.545","0.0001","20.545","0.0001","18.9151","0.0002","90","","90","","90","","7984.01","0.1","150","2","150","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C29.5 H61.5 B N5 O2 Si2 Sr -","- C29.5 H61.5 B N5 O2 Si2 Sr -","- C236 H492 B8 N40 O16 Si16 Sr8 -","8","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Bis(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Studies of Catalytic Hydroamination","Organometallics","2009","28","6","1730","","10.1021/om8010933","","","0.71073","MoKα","","0.0928","0.0566","","","0.1267","0.1493","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068793","12.0986","0.0001","12.0986","0.0001","26.0609","0.0001","90","","90","","90","","3814.69","0.05","200","2","200","2","","","","","","","","5","P 42/n :2","-P 4bc","86","in paper 4b","","","- C34.5 H62 B2 Li2 N8 -","- C34.5 H62 B2 Li2 N8 -","- C138 H248 B8 Li8 N32 -","4","0.5","","Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter","New Structural Motifs of Lithium N-Heterocyclic Carbene Complexes with Bis(3-tert-butylimidazol-2-ylidene)dialkylborate Ligands†","Organometallics","2009","28","12","3532","","10.1021/om801097f","","","0.71073","MoKα","","0.0739","0.0419","","","0.1019","0.1184","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069689","23.6976","0.0018","23.6976","0.0018","9.7412","0.001","90","","90","","90","","5470.4","0.8","173","2","173","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C23 H34 Cl F6 N4 P Ru -","- C23 H34 Cl F6 N4 P Ru -","- C184 H272 Cl8 F48 N32 P8 Ru8 -","8","1","","Gandolfi, Claudio; Heckenroth, Marion; Neels, Antonia; Laurenczy, Gábor; Albrecht, Martin","Chelating NHC Ruthenium(II) Complexes as Robust Homogeneous Hydrogenation Catalysts","Organometallics","2009","28","17","5112","","10.1021/om900356w","","","0.71073","MoKα","","0.0532","0.0363","","","0.0847","0.0885","","","","","","0.903","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4070394","30.2269","0.0019","30.2269","0.0019","15.294","0.002","90","","90","","90","","13974","2","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C143 H178 Cl4 N10 Ni4 O4 S2 -","- C143 H178 Cl4 N10 Ni4 O4 S2 -","- C572 H712 Cl16 N40 Ni16 O16 S8 -","4","0.5","","Laskowski, Carl A.; Hillhouse, Gregory L.","Group-Transfer Reactions of Ni(II)−Ni(II) Bridging Imido Complexes. Catalytic Formation of Carbodiimides and Isocyanates via Nitrene Transfer from Organoazides","Organometallics","2009","28","20","6114","","10.1021/om900783u","","","0.71073","MoKα","","0.097","0.0744","","","0.1613","0.1703","","","","","","1","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070591","25.7113","0.0007","25.7113","0.0007","9.8977","0.0006","90","","90","","90","","6543.1","0.5","187","2","187","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C28 H26 Cl2 F8 N2 O2 Ti -","- C28 H26 Cl2 F8 N2 O2 Ti -","- C224 H208 Cl16 F64 N16 O16 Ti8 -","8","1","","Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization","Organometallics","2008","27","15","3642","","10.1021/om700803u","","","0.71073","MoKα","","0.0682","0.056","","","0.1833","0.1935","","","","","","1.138","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070863","21.1522","0.0007","21.1522","0.0007","8.4509","0.0005","90","","90","","90","","3781.1","0.3","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","[(eta6-benzene)Ru(eta5-C5Me4CH2OCH3)]Cl","","- C17 H26 Cl2 O2 Ru -","- C17 H26 Cl2 O2 Ru -","- C136 H208 Cl16 O16 Ru8 -","8","1","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0533","0.0283","","","0.0616","0.0676","","","","","","1.083","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4071733","19.1907","0.0004","19.1907","0.0004","16.3113","0.0004","90","","90","","90","","6007.2","0.2","173.1","","","","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C25 H40 Cl2 F3 O3 P Ru2 S -","- C25 H40 Cl2 F3 O3 P Ru2 S -","- C200 H320 Cl16 F24 O24 P8 Ru16 S8 -","8","1","","Miyake, Yoshihiro; Endo, Satoshi; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki","Novel Monophosphido-Bridged Diruthenium Complexes: Efficient Preparative Method and Catalytic Activity toward Reactions of Propargylic Alcohols with Aromatic Compounds","Organometallics","2008","27","15","4017","","10.1021/om8003465","","","0.71075","MoKα","","","0.0223","","","","0.0497","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075155","27.3564","0.0006","27.3564","0.0006","9.1519","0.0004","90","","90","","90","","6849","0.4","120","2","120","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C20 H53 I La N O2 Si5 -","- C20 H53 I La N O2 Si5 -","- C160 H424 I8 La8 N8 O16 Si40 -","8","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.6768","synchrotron","","0.056","0.0343","","","0.0741","0.0812","","","","","","1.045","","","","has coordinates,has disorder","301830","2025-08-20","13:17:22",""
"4075974","13.0454","0.0002","13.0454","0.0002","6.2778","0.0001","90","","90","","90","","1068.37","0.03","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","Trimethylindum","","- C3 H9 In -","- C3 H9 In -","- C24 H72 In8 -","8","1","","Lewiński, Janusz; Zachara, Janusz; Starowieyski, Kazimierz B.; Justyniak, Iwona; Lipkowski, Janusz; Bury, Wojciech; Kruk, Przemysław; Woźniak, Robert","A Second Polymorphic Form of Trimethylindium: Topology of Supramolecular Architectures of Group 13 Trimethyls","Organometallics","2005","24","20","4832","","10.1021/om050386s","","","0.71073","MoKα","","0.0316","0.0299","","","0.0718","0.0725","","","","","","1.301","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4076255","19.2108","0.0008","19.2108","0.0008","13.0532","0.0007","90","","90","","90","","4817.3","0.4","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C80 H172 O8 P4 Sn4 -","- C80 H172 O8 P4 Sn4 -","- C160 H344 O16 P8 Sn8 -","2","0.25","","Chandrasekhar, Vadapalli; Baskar, Viswanathan; Steiner, Alexander; Zacchini, Stefano","Reactions ofn-Bu2SnO and (n-Bu3Sn)2O with 1,1,2,3,3-Pentamethyltrimethylene Phosphinic Acid: Synthesis and X-ray Crystal Structures of a Novel Spirocyclic Coordination Polymer and a 16-Membered Inorganic Macrocycle","Organometallics","2004","23","6","1390","","10.1021/om034262w","","","0.71073","MoKα","","0.0627","0.0449","","","0.1133","0.1296","","","","","","1.02","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076648","20.133","0.005","20.139","0.005","6.002","0.005","90","0.005","90","0.005","90","0.005","2434","2","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H28 O4 Rh2 -","- C28 H28 O4 Rh2 -","- C112 H112 O16 Rh8 -","4","0.5","","Busetto, Luigi; Cassani, M. Cristina; Albano, Vincenzo G.; Sabatino, Piera","Coordination Chemistry of Ester-Functionalized Cp Ligands. The Atom-Economy Synthesis of Na[C5H4CO2(CH2)2OH] and Solid State Structures of [Rh{C5H4CO2(CH2)2OH}(CO)2] and [Rh2{μ-(C5H4CO2CH2)2}(NBD)2]","Organometallics","2002","21","9","1849","","10.1021/om0108393","","","0.71069","MoKα","","0.0543","0.0478","","","0.1288","0.1324","","","","","","1.078","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4077647","14.443","0.001","14.443","0.001","12.267","0.002","90","","90","","90","","2558.9","0.5","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C56 H76 Li4 N4 O4 -","- C56 H76 Li4 N4 O4 -","- C112 H152 Li8 N8 O8 -","2","0.25","","Guan, Jingwen; Dubé, Tiffany; Gambarotta, Sandro; Yap, Glenn P. A.","Dinitrogen Labile Coordination versus Four-Electron Reduction, THF Cleavage, and Fragmentation Promoted by a (calix-tetrapyrrole)Sm(II) Complex","Organometallics","2000","19","23","4820","4827","10.1021/om000698p","","","0.71073","MoKα","","0.1027","0.0751","","","0.2179","0.2399","","","","","","1.057","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4079297","27.15","0.004","27.15","0.004","9.967","0.002","90","","90","","90","","7347","2","293","2","293","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","compound 3","","","- C43 H42 P2 Ru -","- C43 H42 P2 Ru -","- C344 H336 P16 Ru8 -","8","1","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.107","0.0533","","","0.1169","0.1372","","","","","","1.014","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4080074","14.447","0.003","14.447","0.003","22.606","0.005","90","","90","","90","","4718.2","1.7","113","","113","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C54 H48 P2 Pd Si4 -","- C54 H48 P2 Pd Si4 -","- C216 H192 P8 Pd4 Si16 -","4","0.5","","Tanabe, Makoto; Takahashi, Atsushi; Fukuta, Tomoko; Osakada, Kohtaro","Nickel-Catalyzed Cyclopolymerization of Hexyl- and Phenylsilanes","Organometallics","2013","32","4","1037","","10.1021/om301052f","","","0.7107","MoKα","","","0.0439","","","","0.1097","","","","","","1.122","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080184","17.8105","0.0018","17.8105","0.0018","9.7851","0.001","90","","90","","90","","3104","0.5","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C26 H54 La2 N8 -","- C26 H54 La2 N8 -","- C104 H216 La8 N32 -","4","0.5","","Cui, Peng; Spaniol, Thomas P.; Okuda, Jun","Heterometallic Potassium Rare-Earth-Metal Allyl and Hydrido Complexes Stabilized by a Dianionic (NNNN)-Type Macrocyclic Ancillary Ligand","Organometallics","2013","32","5","1176","","10.1021/om300986w","","","0.71073","MoKα","","0.048","0.0355","","","0.1021","0.1089","","","","","","1.01","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080414","28.3108","0.0013","28.3108","0.0013","8.6035","0.0005","90","","90","","90","","6895.7","0.6","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H37 Au2 Cl5 N4 -","- C32 H37 Au2 Cl5 N4 -","- C256 H296 Au16 Cl40 N32 -","8","1","","Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.","Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds","Organometallics","2013","32","6","1807","","10.1021/om301226b","","","0.71073","MoKα","","0.0801","0.0463","","","0.11","0.1379","","","","","","1.154","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4081906","16.734","0.0007","16.734","0.0007","28.8823","0.0012","90","","90","","90","","8087.8","0.6","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C86 H138 Ir4 N2 O10 -","- C86 H130 Ir4 N2 O10 -","- C344 H520 Ir16 N8 O40 -","4","0.5","","Nguyen, Duc Hanh; Greger, Ingo; Pérez-Torrente, Jesús J.; Jiménez, M. Victoria; Modrego, F. Javier; Lahoz, Fernando J.; Oro, Luis A.","ONO Dianionic Pincer-Type Ligand Precursors for the Synthesis of σ,π-Cyclooctenyl Iridium(III) Complexes: Formation Mechanism and Coordination Chemistry","Organometallics","2013","32","23","6903","","10.1021/om400767d","","","0.71073","MoKα","","0.0407","0.0256","","","0.0639","0.0713","","","","","","1.069","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082027","19.538","0.0018","19.538","0.0018","9.734","0.002","90","","90","","90","","3715.8","0.9","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H25 Cu F2 N2 -","- C20 H25 Cu F2 N2 -","- C160 H200 Cu8 F16 N16 -","8","1","","Liu, Yanpin; Chen, Chaohuang; Li, Huaifeng; Huang, Kuo-Wei; Tan, Jianwei; Weng, Zhiqiang","Efficient SN2 Fluorination of Primary and Secondary Alkyl Bromides by Copper(I) Fluoride Complexes","Organometallics","2013","32","21","6587","","10.1021/om4008967","","","0.71073","MoKα","","0.146","0.0813","","","0.1918","0.2238","","","","","","1.049","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4083023","24.9574","0.0015","24.9574","0.0015","13.8473","0.0009","90","","90","","90","","8625.1","0.9","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C46 H60 N4 Zn2 -","- C46 H60 N4 Zn2 -","- C368 H480 N32 Zn16 -","8","1","","Rit, Arnab; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Mixed Alkyl Hydrido Complexes of Zinc: Synthesis, Structure, and Reactivity","Organometallics","2014","33","8","2039","","10.1021/om500190c","","","0.71073","MoKα","","0.0672","0.0444","","","0.0903","0.0996","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083475","24.238","0.003","24.238","0.003","9.759","0.003","90","","90","","90","","5733","2","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C21 H29 I3 N4 Pt2 Si -","- C21 H29 I3 N4 Pt2 Si -","- C168 H232 I24 N32 Pt16 Si8 -","8","1","","Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning","Reactivity of SiMe3- and SnR3-Functionalized Bis(7-azaindol-1-yl)methane with [PtR2(μ-SMe2)]n(R = Me, Ph) and the Resulting Pt(II) and Pt(IV) Complexes","Organometallics","2009","28","8","2572","","10.1021/om900022n","","","0.71073","MoKα","","0.0912","0.0408","","","0.0855","0.1012","","","","","","1.017","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4084256","13.163","0.0013","13.163","0.0013","8.3583","0.0012","90","","90","","90","","1448.2","0.3","298","2","298","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C32 H36 O4 Ru -","- C32 H36 O4 Ru -","- C64 H72 O8 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","","","0.71073","MoKα","","0.0493","0.0383","","","0.0922","0.0974","","","","","","1.038","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084417","11.831","0.0003","11.831","0.0003","9.8294","0.0003","90","","90","","90","","1375.85","0.06","298","2","298","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","0.5","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0611","0.0543","","","0.1356","0.1402","","","","","","1.13","","","","has coordinates","301831","2025-08-20","13:52:26",""
"4085040","15.3704","0.0016","15.3704","0.0016","21.593","0.002","90","","90","","90","","5101.3","0.9","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C54 H66 Si2 Sn -","- C54 H66 Si2 Sn -","- C216 H264 Si8 Sn4 -","4","0.5","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.0569","0.0388","","","0.089","0.0965","","","","","","1.067","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085041","15.4042","0.0004","15.4042","0.0004","21.604","0.0008","90","","90","","90","","5126.4","0.3","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C54 H66 Pb Si2 -","- C54 H66 Pb Si2 -","- C216 H264 Pb4 Si8 -","4","0.5","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.04","0.0209","","","0.0414","0.0536","","","","","","1.195","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4086197","25.159","0.002","25.159","0.002","11.9874","0.0016","90","","90","","90","","7587.7","1.3","298","2","298","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C90 H86 P4 Ru2 -","- C90 H86 P4 Ru2 -","- C360 H344 P16 Ru8 -","4","0.5","","Zhang, Jing; Zhang, Ming-Xing; Sun, Chao-Fang; Xu, Meng; Hartl, František; Yin, Jun; Yu, Guang-Ao; Rao, Li; Liu, Sheng Hua","Diruthenium Complexes with Bridging Diethynyl Polyaromatic Ligands: Synthesis, Spectroelectrochemistry, and Theoretical Calculations","Organometallics","2015","34","16","3967","","10.1021/acs.organomet.5b00276","","","0.71073","MoKα","","0.0984","0.0848","","","0.1843","0.1915","","","","","","1.244","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086198","25.38","0.003","25.38","0.003","11.8756","0.0013","90","","90","","90","","7649.6","1.5","297","2","297","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C93 H90 O P4 Ru2 -","- C93 H90 O P4 Ru2 -","- C372 H360 O4 P16 Ru8 -","4","0.5","","Zhang, Jing; Zhang, Ming-Xing; Sun, Chao-Fang; Xu, Meng; Hartl, František; Yin, Jun; Yu, Guang-Ao; Rao, Li; Liu, Sheng Hua","Diruthenium Complexes with Bridging Diethynyl Polyaromatic Ligands: Synthesis, Spectroelectrochemistry, and Theoretical Calculations","Organometallics","2015","34","16","3967","","10.1021/acs.organomet.5b00276","","","0.71073","MoKα","","0.0744","0.0503","","","0.1264","0.1474","","","","","","1.092","","","","has coordinates,has disorder","301831","2025-08-20","13:52:30",""
"4087611","25.1557","0.0003","25.1557","0.0003","14.7095","0.0004","90","","90","","90","","9308.3","0.3","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C21 H30 Br12 Ga4 O12 -","- C21 H30 Br12 Ga4 O12 -","- C168 H240 Br96 Ga32 O96 -","8","1","","Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.","Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes","Organometallics","2015","34","17","4238","","10.1021/acs.organomet.5b00399","","","0.71073","MoKα","","0.0969","0.0468","","","0.08","0.095","","","","","","1.012","","","","has coordinates","236874","2020-10-21","18:00:00",""
"4087681","15.4856","0.0004","15.4856","0.0004","11.8338","0.0004","90","","90","","90","","2837.79","0.14","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C60 H48 Ag4 F20 -","- C60 H48 Ag4 F20 -","- C120 H96 Ag8 F40 -","2","0.25","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0773","0.0316","","","0.0575","0.0736","","","","","","1.035","","","","has coordinates,has disorder","301831","2025-08-20","13:52:31",""
"4088360","21.609","0.004","21.609","0.004","9.5009","0.0019","90","","90","","90","","4436.4","1.5","200","2","200","2","","","","","","","","6","P 42/n :2","-P 4bc","86","6l in manuscript","","","- C20 H32 Au Cl N2 O -","- C20 H32 Au Cl N2 O -","- C160 H256 Au8 Cl8 N16 O8 -","8","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0611","0.0456","","","0.0782","0.0828","","","","","","1.119","","","","has coordinates,has disorder","237503","2020-10-21","18:00:00",""
"4089720","27.42","0.001","27.42","0.0009","9.259","0.0003","90","","90","","90","","6961.4","0.4","173","2","173","2","","","","","","","synthesis as described","6","P 42/n :2","-P 4bc","86","aug2300","","","- C22.5 H58 Cl I Si6 Sn -","- C22.5 H58 Cl I Si6 Sn -","- C180 H464 Cl8 I8 Si48 Sn8 -","8","1","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.71073","MoKα","","0.0897","0.0578","","","0.1452","0.1632","","","","","","1.028","","","","has coordinates","247258","2020-10-21","18:00:00",""
"4100303","22.2372","0.0005","22.2372","0.0005","12.7232","0.0007","90","","90","","90","","6291.5","0.4","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C36 H52 N2 Zr2 -","- C36 H52 N2 Zr2 -","- C288 H416 N16 Zr16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4102232","33.311","0.006","33.311","0.006","7.6091","0.0018","90","","90","","90","","8443","3","93","2","93","0.2","","","","","","","","6","P 42/n :2","-P 4bc","86","","2-[2-(4,5-Dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]- 4,4,5,5-tetramethyl imidazoline-3-oxide-1-oxyl","","- C17 H15 Br2 N2 O2 S4 -","- C17 H15 Br2 N2 O2 S4 -","- C272 H240 Br32 N32 O32 S64 -","16","2","","Hideji Komatsu; Michio M. Matsushita; Shigefumi Yamamura; Yoko Sugawara; Kentaro Suzuki; Tadashi Sugawara","Influence of Magnetic Field upon the Conductance of a Unicomponent Crystal of a Tetrathiafulvalene-Based Nitronyl Nitroxide","Journal of the American Chemical Society","2010","132","","4528","4529","10.1021/ja9109538","","","0.71073","MoKα","","0.201","0.135","","","0.3503","0.3838","","","","","","1.118","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4103739","15.6466","0.0002","15.6466","0.0002","7.6593","0.0001","90","","90","","90","","1875.12","0.04","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H40 N4 O12 Si -","- C32 H40 N4 O12 Si0.25 -","- C64 H80 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.129","0.0939","","","0.2593","0.2864","","","","","","1.127","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103740","15.4599","0.0008","15.4599","0.0008","8.7993","0.0005","90","","90","","90","","2103.11","0.19","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H48 N4 O12 Si -","- C36 H48 N4 O12 Si0.25 -","- C72 H96 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.1147","0.0708","","","0.1777","0.1956","","","","","","1.074","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103741","15.413","0.002","15.413","0.002","9.5845","0.0019","90","","90","","90","","2276.9","0.6","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C40 H56 N4 O12 Si -","- C40 H56 N4 O12 Si -","- C80 H112 N8 O24 Si2 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.233","0.0954","","","0.2116","0.2514","","","","","","1.087","","","","has coordinates","301832","2025-08-20","14:35:18",""
"4103742","15.465","0.009","15.465","0.009","9.578","0.006","90","","90","","90","","2291","2","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H48 N4 O12 Si -","- C36 H44 N4 O12 Si0.25 -","- C72 H88 N8 O24 Si0.5 -","2","0.25","","Okba Saied; Thierry Maris; James D. Wuest","Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals","Journal of the American Chemical Society","2003","125","","14956","14957","10.1021/ja037465k","","","1.54178","CuKα","","0.2416","0.2023","","","0.5229","0.5535","","","","","","2.024","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103815","16.9812","0.0004","16.9812","0.0004","5.8607","0.0001","90","","90","","90","","1690","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C22 H18 F2 Fe2 -","- C22 H18 F2 Fe2 -","- C88 H72 F8 Fe8 -","4","0.5","","Louis J. Farrugia; Cameron Evans; Dieter Lentz; Max Roemer","The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2","Journal of the American Chemical Society","2009","131","","1251","1268","10.1021/ja808303j","","x-ray","0.71073","MoKα","","0.0228","0.0178","","","","0.0226","","","","","","1.401","","","","has coordinates,has Fobs","264764","2021-05-03","08:11:05",""
"4104437","14.141","0.004","14.141","0.004","11.289","0.004","90","","90","","90","","2257.4","1.2","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C88 H160 O24 -","8","1","","Giuditta Guazzelli; Sara De Grazia; Karl D. Collins; Hiroshi Matsubara; Malcolm Spain; David J. Procter","Selective Reductions of Cyclic 1,3-Diesters Using SmI2 and H2O","Journal of the American Chemical Society","2009","131","","7214","7215","10.1021/ja901715d","","","0.71073","MoKα","","0.1013","0.0701","","","0.1745","0.1895","","","","","","1.056","","","","has coordinates","301832","2025-08-20","14:35:18",""
"4108659","22.778","0.0008","22.778","","13.855","0.0003","90","","90","","90","","7188.5","0.3","153","2","153","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","C60CH2SiMe2OiPrH","","- C66 H16 O Si -","- C66 H16 O Si -","- C528 H128 O8 Si8 -","8","1","","Yutaka Matsuo; Akihiko Iwashita; Yoko Abe; Chang-Zhi Li; Keiko Matsuo; Masahiko Hashiguchi; Eiichi Nakamura","Regioselective Synthesis of 1,4-Di(organo)[60]fullerenes through DMF-assisted Monoaddition of Silylmethyl Grignard Reagents and Subsequent Alkylation Reaction","Journal of the American Chemical Society","2008","130","","15429","15436","10.1021/ja8041299","","x-ray","0.71073","MoKα","","0.0858","0.0794","","","0.2253","0.2319","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110317","33.9416","0.0013","33.9416","0.0013","14.7839","0.0012","90","","90","","90","","17031.5","1.7","90","2","90","2","","","","","","","","3","P 42/n :2","-P 4bc","86","Compound 16","","","- C87 H131 Sn2 -","- C87 H129 Sn2 -","- C696 H1032 Sn16 -","8","1","","Eric Rivard; Roland C. Fischer; Robert Wolf; Yang Peng; W. Alexander Merrill; Nathan D. Schley; Zhongliang Zhu; Lihung Pu; James C. Fettinger; Simon J. Teat; Isreal Nowik; Rolfe H. Herber; Nozomi Takagi; Shigeru Nagase; Philip P. Power","Isomeric Forms of Heavier Main Group Hydrides: Experimental and Theoretical Studies of the [Sn(Ar)H]2 (Ar = Terphenyl) System","Journal of the American Chemical Society","2007","129","","16197","16208","10.1021/ja076453m","","","0.7749","","","0.0748","0.0679","","","0.192","0.1956","","","","","","1.141","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4113196","24.9766","0.0011","24.9766","0.0011","7.8479","0.0004","90","","90","","90","","4895.8","0.4","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23 H32 Cl2 N2 O2 Zr -","- C23 H32 Cl2 N2 O2 Zr -","- C184 H256 Cl16 N16 O16 Zr8 -","8","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0365","0.0248","","","0.0708","0.0755","","","","","","0.997","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113898","27.824","0.004","27.824","0.004","18.108","0.004","90","","90","","90","","14019","4","173","2","173","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C68 H65 Ag3 B3 F12 N13 O -","- C68 H60 Ag3 B3 F12 N13 O -","- C544 H480 Ag24 B24 F96 N104 O8 -","8","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.145","0.0801","","","0.1859","0.2331","","","","","","1.017","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113899","28.108","0.003","28.108","0.003","18.335","0.003","90","","90","","90","","14486","3","294","2","294","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C68.5 H65.5 Ag3 Cl3 N13 O12.75 -","- C68.5 H65 Ag3 Cl3 N13 O12.75 -","- C548 H520 Ag24 Cl24 N104 O102 -","8","1","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye","Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms","Journal of the American Chemical Society","2003","125","","8595","8613","10.1021/ja034267k","","","0.71073","MoKα","","0.2278","0.0643","","","0.1573","0.2091","","","","","","0.928","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114114","15.588","0.002","15.588","0.002","16.268","0.003","90","","90","","90","","3952.9","1","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","polyoxovanadogermanate","","","- C8 H28 Ge4 N4 O28 V7 -","- C8 H28 Ge4 N4 O28 V7 -","- C32 H112 Ge16 N16 O112 V28 -","4","0.5","","Akhilesh Tripathi; Timothy Hughbanks; Abraham Clearfield","The First Framework Solid Composed of Vanadosilicate Clusters","Journal of the American Chemical Society","2003","125","","10528","10529","10.1021/ja0365173","","","0.71073","MoKα","","0.0677","0.0453","","","0.1265","0.1358","","","","","","1.079","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4115523","13.139","0.006","13.139","0.006","23.087","0.013","90","","90","","90","","3986","3","294","2","294","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C39.5 H28 N6 O13 -","- C39.5 H28 N6 O13 -","- C158 H112 N24 O52 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2288","0.1463","","","0.4051","0.4464","","","","","","1.335","","","","has coordinates","301833","2025-08-20","15:22:58",""
"4115524","13.055","0.0018","13.055","0.0018","22.754","0.005","90","","90","","90","","3878","1.1","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C29 H19.33 N4.67 O9.33 -","- C29 H19.3333 N4.66667 O9.33333 -","- C174 H116 N28 O56 -","6","0.75","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1339","0.0565","","","0.1046","0.1451","","","","","","1.047","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4116966","21.183","0.002","21.18","0.003","8.324","0.002","90","","90","","90","","3734.6","1.1","25","","293","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C17 H27 B F4 Rh -","- C16.8 H16 B F4 N0.9 Rh -","- C134.4 H128 B8 F32 N7.2 Rh8 -","8","1","","Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead","Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis","Journal of the American Chemical Society","1997","119","","4305","4306","10.1021/ja9639271","","","0.71073","MoKα","","","0.0473","","","0.0526","","","","","1.0947","1.0947","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4125160","24.642","0.003","24.642","0.003","16.016","0.002","90","","90","","90","","9725","2","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C45.5 H68 Cl N2 Os P -","- C45.5 H68 Cl N2 Os P -","- C364 H544 Cl8 N16 Os8 P8 -","8","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique","Square-Planar Alkylidyne-Osmium and Five-Coordinate Alkylidene-Osmium Complexes: Controlling the Transformation from Hydride-Alkylidyne to Alkylidene.","Journal of the American Chemical Society","2016","138","30","9720","9728","10.1021/jacs.6b05825","","","0.71073","MoKα","","0.1129","0.0499","","","0.1238","0.1621","","","","","","1.096","","","","has coordinates,has disorder","187896","2020-10-21","18:00:00",""
"4127261","33.412","0.005","33.412","0.005","14.63","0.003","90","","90","","90","","16332","5","100","2","100","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C152 H224 F72 N52 O28 P12 Pd8 S4 -","- C152 H224 F72 N52 O28 P12 Pd8 S4 -","- C304 H448 F144 N104 O56 P24 Pd16 S8 -","2","0.25","","Saha, Rupak; Devaraj, Anthonisamy; Bhattacharyya, Soumalya; Das, Soumik; Zangrando, Ennio; Mukherjee, Partha Sarathi","Unusual Behaviour of Donor-Acceptor Stenhouse Adducts (DASA) in Confined Space of a Water Soluble PdII8 Molecular Vessel.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b03924","","","0.7","synchrotron","","0.1122","0.0751","","","0.2217","0.2452","","","","","","0.941","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4129252","19.837","0.003","19.837","0.003","21.423","0.003","90","","90","","90","","8430","2","100","0.5","100","0.5","","","","","","","","4","P 42/n :2","-P 4bc","86","neima07","","","- C80 H110 Fe P2 -","- C80 H110 Fe P2 -","- C320 H440 Fe4 P8 -","4","0.5","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0828","0.0613","","","0.1666","0.1845","","","","","","1.044","","","","has coordinates,has disorder","240020","2020-10-21","18:00:00",""
"4131876","34.8679","0.0016","34.8679","0.0016","14.1884","0.0009","90","","90","","90","","17249.8","1.6","150","2","150","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C46 H248 N23 Na9 O254 P4 Se4 W64 -","- C24 N12 Na5 O249.4 P4 Se4 W64 -","- C48 N24 Na10 O498.8 P8 Se8 W128 -","2","0.25","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.0788","0.0588","","","0.1309","0.1488","","","","","","1.196","","","","has coordinates","241970","2020-10-21","18:00:00",""
"4131878","34.7924","0.0017","34.7924","0.0017","14.1405","0.0009","90","","90","","90","","17117.2","1.6","150","2","150","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C30 H188 N15 Na17 O254 P8 W64 -","- C19.2 N9.6 O241.2 P8 W64 -","- C38.4 N19.2 O482.4 P16 W128 -","2","0.25","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1571","0.0855","","","0.181","0.2189","","","","","","1.12","","","","has coordinates","241972","2020-10-21","18:00:00",""
"4132832","15.3269","0.0018","15.3269","0.0018","6.7369","0.0008","90","","90","","90","","1582.6","0.3","123","","123","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H8 Br8 -","- C32 H8 Br8 -","- C64 H16 Br16 -","2","0.25","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0627","0.0499","","","0.1206","0.1269","","","","","","1.04","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4133700","16.2082","0.0007","16.2082","0.0007","5.791","0.0005","90","","90","","90","","1521.33","0.16","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C64 H64 O16 -","2","0.25","","Joo, Wontae; Wang, Wade; Mesch, Ryan; Matsuzawa, Kensuke; Liu, Di; Willson, C. Grant","Synthesis of Unzipping Polyester and a Study of its Photochemistry.","Journal of the American Chemical Society","2019","141","37","14736","14741","10.1021/jacs.9b06285","","","0.71073","MoKα","","0.157","0.111","","","0.2121","0.2314","","","","","","1.213","","","","has coordinates","301835","2025-08-20","18:54:28",""
"4134082","20.9667","0.0003","20.9667","0.0003","7.7032","0.0003","90","","90","","90","","3386.35","0.15","179.99","0.1","179.99","0.1","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C20 H30 O -","- C20 H30 O -","- C160 H240 O8 -","8","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0736","0.0516","","","0.1133","0.122","","","","","","1.066","","","","has coordinates","301835","2025-08-20","18:54:29",""
"4135153","31.712","0.005","31.712","0.005","10.0698","0.0014","90","","90","","90","","10127","3","93","","93","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C33 H19 Cd F6 N3 O7 S2 -","- C33 H19 Cd F6 N3 O7 S2 -","- C264 H152 Cd8 F48 N24 O56 S16 -","8","1","","Sato, Hiroshi; Matsui, Toshiya; Chen, Zhiyi; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","Photochemically Crushable and Regenerative Metal‒Organic Framework","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06615","","","0.71075","MoKα","","0.0691","0.0676","","","0.183","0.184","","","","","","1.178","","","","has coordinates","255186","2020-10-21","18:00:00",""
"4301211","12.6325","0.0003","12.6325","0.0003","9.5575","0.0003","90","","90","","90","","1525.19","0.07","153","2","153","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C20 H52 Al4 N8 -","- C20 H52 Al4 N8 -","- C40 H104 Al8 N16 -","2","0.25","","Werner Uhl; Thomas Abel; Alexander Hepp; Tom Nilges; Friedhelm Rogel; Ernst-Ulrich Würthwein; Nugzar Ghavtadze","The Unique Decomposition Behavior of the Dimeric Dialkylaluminum Hydrazide [(Me3C)2Al-N(H)-N(H)-Me]2-Butane versus Ammonia Elimination","Inorganic Chemistry","2009","48","","752","759","10.1021/ic8016134","","","0.71073","MoKα","","0.0479","0.0448","","","0.1199","0.1214","","","","","","1.014","","","","has coordinates","179050","2020-10-21","18:00:00",""
"4301439","13.49","0.0014","13.49","0.0014","10.684","0.001","90","","90","","90","","1944.3","0.3","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C16 H16 Br2 Cu2 N6 -","- C16 H16 Br2 Cu2 N6 -","- C64 H64 Br8 Cu8 N24 -","4","0.5","","Man-Cheng Hu; Yan Wang; Quan-Guo Zhai; Shu-Ni Li; Yu-Cheng Jiang; Yong Zhang","Synthesis, Crystal Structures, and Photoluminescent Properties of the Cu(I)/X/α,ω-Bis(benzotriazole)alkane Hybrid Family (X = Cl, Br, I, and CN)","Inorganic Chemistry","2009","48","","1449","1468","10.1021/ic801574k","","","0.71073","MoKα","","0.0493","0.0272","","","0.0582","0.0651","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4301793","30.337","0.005","30.337","0.005","7.423","0.0005","90","","90","","90","","6831.6","1.7","223","","223","","","","","","","","Synthesized by the authors. See text","5","P 42/n :2","-P 4bc","86","","","","- C69 H72 Cu4 N4 O20 -","- C69 H72 Cu4 N4 O20 -","- C138 H144 Cu8 N8 O40 -","2","0.25","","Patrick E. Ryan; Christophe Lescop; Dominic Laliberté; Tamara Hamilton; Thierry Maris; James D. Wuest","Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)","Inorganic Chemistry","2009","48","","2793","2807","10.1021/ic8019809","","","1.54178","CuKα","","0.0793","0.0616","","","0.1628","0.1688","","","","","","1.056","","","","has coordinates,has disorder","179055","2020-10-21","18:00:00",""
"4301852","25.5156","0.0004","25.5156","0.0004","12.5936","0.0002","90","","90","","90","","8199","0.2","183","2","183","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C33 H32 F12 N7 O0.5 P2 Ru -","- C33 H32 F12 N7 O0.5 P2 Ru -","- C264 H256 F96 N56 O4 P16 Ru8 -","8","1","","Michael Jäger; Rohan J. Kumar; Helmar Görls; Jonas Bergquist; Olof Johansson","Facile Synthesis of Bistridentate RuII Complexes Based on 2,6-Di(quinolin-8-yl)pyridyl Ligands: Sensitizers with Microsecond 3MLCT Excited State Lifetimes","Inorganic Chemistry","2009","48","","3228","3238","10.1021/ic802342t","","","0.71073","MoKα","","0.1252","0.0823","","","0.2337","0.2687","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4301907","23.579","0.003","23.579","0.003","22.196","0.002","90","","90","","90","","12340","2","138","2","138","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C140 H101.6 Cu16 F36 N96 O54.8 S12 -","- C136 H96 Cu16 F24 N96 O40 S8 -","- C272 H192 Cu32 F48 N192 O80 S16 -","2","0.25","","Louise N. Dawe; Konstantin V. Shuvaev; Laurence K. Thompson","Magnetic [nxn] (n= 2-5) Grids by Directed Self-Assembly","Inorganic Chemistry","2009","48","","3323","3341","10.1021/ic801078h","","","0.7107","MoKα","","0.1334","0.1133","","","0.319","0.34","","","","","","1.245","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302215","12.6389","0.0004","12.6389","0.0004","20.7995","0.0016","90","","90","","90","","3322.5","0.3","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C72 H68 Eu F12 N O8 -","- C72 H68 Eu F12 N O8 -","- C144 H136 Eu2 F24 N2 O16 -","2","0.25","","Sofia M. Bruno; Rute A. S. Ferreira; Luís D. Carlos; Filipe A. Almeida Paz; Martyn Pillinger; Paulo Ribeiro-Claro; Isabel S. Gonçalves","Structural and Photoluminescence Studies of a Europium(III) Tetrakis(β-diketonate) Complex with Tetrabutylammonium, Imidazolium, Pyridinium and Silica-Supported Imidazolium Counterions","Inorganic Chemistry","2009","48","","4882","4895","10.1021/ic900274a","","","0.71073","MoKα","","0.1338","0.0807","","","0.1615","0.1726","","","","","","1.369","","","","has coordinates","301836","2025-08-20","19:34:55",""
"4302650","19.723","0.006","19.723","0.006","9.562","0.004","90","","90","","90","","3720","2","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H60 Ca2 Cl2 N6 O6 Ti -","- C24 H60 Ca2 Cl2 N6 O6 Ti -","- C96 H240 Ca8 Cl8 N24 O24 Ti4 -","4","0.5","","Piotr Sobota; Anna Drąg-Jarząbek; Łukasz John; Józef Utko; Lucjan B. Jerzykiewicz; Marek Duczmal","Cyclopentadienyl/Alkoxo Ligand Exchange in Group 4 Metallocenes: A Convenient Route to Heterometallic Species","Inorganic Chemistry","2009","48","","6584","6593","10.1021/ic900498x","","","0.71073","MoKα","","0.0999","0.0501","","","0.1093","0.1266","","","","","","1.089","","","","has coordinates","301836","2025-08-20","19:34:55",""
"4302708","13.7675","0.0008","13.7675","0.0008","14.5426","0.0017","90","","90","","90","","2756.5","0.4","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C25.5 H25.5 Mn N10.5 O3.5 -","- C25.5 H25.5 Mn N10.5 O3.5 -","- C102 H102 Mn4 N42 O14 -","4","0.5","","Jian-Bin Lin; Jie-Peng Zhang; Wei-Xiong Zhang; Wei Xue; Dong-Xu Xue; Xiao-Ming Chen","Porous Manganese(II) 3-(2-Pyridyl)-5-(4-Pyridyl)-1,2,4-Triazolate Frameworks: Rational Self-Assembly, Supramolecular Isomerism, Solid-State Transformation, and Sorption Properties","Inorganic Chemistry","2009","48","","6652","6660","10.1021/ic900621c","","","0.71073","MoKα","","0.1205","0.0813","","","0.2008","0.225","","","","","","1.065","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4303578","29.076","0.003","29.076","0.003","11.43","0.001","90","","90","","90","","9663.1","1.6","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Mu-(1,2,4,5-tetrathiolatobenzenebis((1,2-bis(dicyclohexyl phosphino)ethane)palladium(II)) Chlorobenzene solvate 1,2-Dichloroethane solvate","","- C86 H126 Cl8 P4 Pd2 S4 -","- C86 H126 Cl8 P4 Pd2 S4 -","- C344 H504 Cl32 P16 Pd8 S16 -","4","0.5","","Kuppuswamy Arumugam; Mohamed C. Shaw; P. Chandrasekaran; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue","Synthesis, Structures, and Properties of 1,2,4,5-Benzenetetrathiolate Linked Group 10 Metal Complexes","Inorganic Chemistry","2009","48","","10591","10607","10.1021/ic901257s","","","0.71073","MoKα","","0.0771","0.0587","","","0.1391","0.1495","","","","","","1.092","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4304078","24.1547","0.0008","24.1547","0.0008","18.6783","0.0008","90","","90","","90","","10897.8","0.7","293","2","293","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C52 H100 Cl Cu2 N8 O62 P W12 -","- C52 H56 Cl Cu2 N8 O45.21 P W12 -","- C208 H224 Cl4 Cu8 N32 O180.84 P4 W48 -","4","0.5","","Xiuli Wang; Yanfeng Bi; Baokuan Chen; Hongyan Lin; Guocheng Liu","Self-Assembly of Organic-Inorganic Hybrid Materials Constructed from Eight-Connected Coordination Polymer Hosts with Nanotube Channels and Polyoxometalate Guests As Templates","Inorganic Chemistry","2008","47","","2442","2448","10.1021/ic7014513","","","0.71073","MoKα","","0.1493","0.0584","","","0.1367","0.1749","","","","","","1.108","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304079","24.2146","0.0012","24.2146","0.0012","18.6339","0.0012","90","","90","","90","","10925.9","1","293","2","293","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C52 H95.5 Cl Cu2 Mo12 N8 O62 P -","- C52 H56 Cl Cu2 Mo12 N8 O46 P -","- C208 H224 Cl4 Cu8 Mo48 N32 O184 P4 -","4","0.5","","Xiuli Wang; Yanfeng Bi; Baokuan Chen; Hongyan Lin; Guocheng Liu","Self-Assembly of Organic-Inorganic Hybrid Materials Constructed from Eight-Connected Coordination Polymer Hosts with Nanotube Channels and Polyoxometalate Guests As Templates","Inorganic Chemistry","2008","47","","2442","2448","10.1021/ic7014513","","","0.71073","MoKα","","0.1247","0.072","","","0.1804","0.2161","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304979","12.7367","0.0006","12.7367","0.0006","23.485","0.002","90","","90","","90","","3809.8","0.4","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C56 H72 Ce Mn8 N O38 -","- C54 H74 Ce Mn8 N4 O37 -","- C108 H148 Ce2 Mn16 N8 O74 -","2","0.25","","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","","0.0773","0.0497","","","0.1165","0.1267","","","","","","1.077","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305178","15.4644","0.001","15.4644","0.001","11.42","0.0004","90","","90","","90","","2731.1","0.3","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C11 H13 Cu N4 O4.5 -","- C11 H13 Cu N4 O4.5 -","- C88 H104 Cu8 N32 O36 -","8","1","","Yurii S. Moroz; Kinga Kulon; Matti Haukka; Elżbieta Gumienna-Kontecka; Henryk Kozłowski; Franc Meyer; Igor O. Fritsky","Synthesis and Structure of [2 x 2] Molecular Grid Copper(II) and Nickel(II) Complexes with a New Polydentate Oxime-Containing Schiff Base Ligand","Inorganic Chemistry","2008","47","","5656","5665","10.1021/ic702375h","","","0.71073","MoKα","","0.0737","0.0436","","","0.0919","0.1034","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305295","21.166","0.004","21.166","0.004","14.369","0.003","90","","90","","90","","6437","2","298","2","298","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C32 H34 F6 N4 O2 P Ru -","- C32 H34 F6 N4 O2 P Ru -","- C256 H272 F48 N32 O16 P8 Ru8 -","8","1","","Wai-Lun Man; Hoi-Ki Kwong; William W. Y. Lam; Jing Xiang; Tsz-Wing Wong; Wing-Hong Lam; Wing-Tak Wong; Shie-Ming Peng; Tai-Chu Lau","General Synthesis of (Salen)ruthenium(III) Complexes via N...N Coupling of (Salen)ruthenium(VI) Nitrides","Inorganic Chemistry","2008","47","","5936","5944","10.1021/ic800263n","","","0.7107","MoKα","","","0.051","","","","0.0523","","","","","","1.197","","","","has coordinates","301836","2025-08-20","19:34:57",""
"4305297","21.166","0.003","21.166","0.003","14.369","0.003","90","","90","","90","","6437.3","1.9","300","2","300","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C32 H34 F6 N4 O2 P Ru -","- C32 H34 F6 N4 O2 P Ru -","- C256 H272 F48 N32 O16 P8 Ru8 -","8","1","","Wai-Lun Man; Hoi-Ki Kwong; William W. Y. Lam; Jing Xiang; Tsz-Wing Wong; Wing-Hong Lam; Wing-Tak Wong; Shie-Ming Peng; Tai-Chu Lau","General Synthesis of (Salen)ruthenium(III) Complexes via N...N Coupling of (Salen)ruthenium(VI) Nitrides","Inorganic Chemistry","2008","47","","5936","5944","10.1021/ic800263n","","","0.71073","MoKα","","0.1298","0.0762","","","0.2047","0.2439","","","","","","1.043","","","","has coordinates,has disorder","301836","2025-08-20","19:34:57",""
"4306769","13.4542","0.0001","13.4542","0.0001","8.4337","0.0001","90","","90","","90","","1526.63","0.02","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H52 N4 O4 Zn4 -","- C20 H52 N4 O4 Zn4 -","- C40 H104 N8 O8 Zn8 -","2","0.25","","Andrew L. Johnson; Nathan Hollingsworth; Gabriele Kociok-Köhn; Kieran C. Molloy","Organozinc Aminoalcoholates: Synthesis, Structure, and Materials Chemistry","Inorganic Chemistry","2008","47","","12040","12048","10.1021/ic801591d","","","0.71073","MoKα","","0.0315","0.0255","","","0.0613","0.0651","","","","","","1.049","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4307472","12.2294","0.0005","12.2294","0.0005","5.9852","0.0005","90","","90","","90","","895.14","0.09","273","2","273","2","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Sb Tm3 -","- Sb Tm3 -","- Sb8 Tm24 -","8","1","","Shalabh Gupta; Ling Chen; Ashok K. Ganguli; John D. Corbett","Rare-Earth Metal-Rich Antimonides: Syntheses, Structures, and Properties of Tm3Sb and Lu7Sb3","Inorganic Chemistry","2007","46","","2187","2192","10.1021/ic0619409","","","0.71073","MoKα","","0.0323","0.0274","","","0.0506","0.0518","","","","","","1.182","","","","has coordinates","179112","2020-10-21","18:00:00",""
"4308168","9.879","0.0005","9.879","0.0005","5.3063","0.0004","90","","90","","90","","517.87","0.05","193","2","193","2","","","","","","","","3","P 42/n :2","-P 4bc","86","Neptunium(IV) iodate","","","- I4 Np O12 -","- I4 Np O12 -","- I8 Np2 O24 -","2","0.25","","Travis H. Bray; Jie Ling; Eun Sang Choi; James S. Brooks; James V. Beitz; Richard E. Sykora; Richard G. Haire; David M. Stanbury; Thomas E. Albrecht-Schmitt","Critical Role of Water Content in the Formation and Reactivity of Uranium, Neptunium, and Plutonium Iodates under Hydrothermal Conditions: Implications for the Oxidative Dissolution of Spent Nuclear Fuel","Inorganic Chemistry","2007","46","","3663","3668","10.1021/ic070170d","","","0.71073","MoKα","","0.0252","0.025","","","0.0653","0.0654","","","","","","1.328","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308170","9.8687","0.001","9.8687","0.001","5.2861","0.0007","90","","90","","90","","514.82","0.1","193","2","193","2","","","","","","","","3","P 42/n :2","-P 4bc","86","Plutonium(IV) Iodate","","","- I4 O12 Pu -","- I4 O12 Pu -","- I8 O24 Pu2 -","2","0.25","","Travis H. Bray; Jie Ling; Eun Sang Choi; James S. Brooks; James V. Beitz; Richard E. Sykora; Richard G. Haire; David M. Stanbury; Thomas E. Albrecht-Schmitt","Critical Role of Water Content in the Formation and Reactivity of Uranium, Neptunium, and Plutonium Iodates under Hydrothermal Conditions: Implications for the Oxidative Dissolution of Spent Nuclear Fuel","Inorganic Chemistry","2007","46","","3663","3668","10.1021/ic070170d","","","0.71073","MoKα","","0.0338","0.0266","","","0.0453","0.0467","","","","","","1.137","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308383","14.3865","0.0004","14.3865","0.0004","8.8462","0.0005","90","","90","","90","","1830.91","0.13","213","2","213","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C28 H52 N4 O8 Zn4 -","- C28 H52 N4 O8 Zn4 -","- C56 H104 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","","0.0303","0.0256","","","0.066","0.0685","","","","","","1.007","","","","has coordinates","210271","2020-10-21","18:00:00",""
"4309170","16.4592","0.0002","16.4592","0.0002","8.8506","0.0002","90","","90","","90","","2397.67","0.07","150","2","150","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C104 H104 Cl8 N16 -","8","1","","Nadezhda A. Bokach; Tatyana V. Kuznetsova; Svetlana A. Simanova; Matti Haukka; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Nitrile-Amidine Coupling at Pt(IV) and Pt(II) Centers. An Easy Entry to Imidoylamidine Complexes","Inorganic Chemistry","2005","44","","5152","5160","10.1021/ic050037q","","","0.71073","MoKα","","0.0448","0.0338","","","0.0824","0.0885","","","","","","1.074","","","","has coordinates","301836","2025-08-20","19:35:01",""
"4309591","13.425","0.002","13.425","0.002","8.224","0.002","90","","90","","90","","1482.2","0.5","296.2","","296.2","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H28 Co N4 O8 Ru2 -","- C28 H28 Co N16 O16 Ru2 -","- C56 H56 Co2 N32 O32 Ru4 -","2","0.25","","Wai-Fun Yeung; Pui-Ha Lau; Tai-Chu Lau; Hai-Yan Wei; Hao-Ling Sun; Song Gao; Zhi-Da Chen; Wing-Tak Wong","Heterometallic MIIRuIII2 Compounds Constructed from trans-[Ru(Salen)(CN)2]- and trans-[Ru(Acac)2(CN)2]-. Synthesis, Structures, Magnetic Properties, and Density Functional Theoretical Study","Inorganic Chemistry","2005","44","","6579","6590","10.1021/ic0506456","","","0.7107","MoKalpha","","","0.0312","","","0.0444","","","","","1.431","1.431","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309704","12.0544","0.001","12.0544","0.001","9.2802","0.0015","90","","90","","90","","1348.5","0.3","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C5.5 H5 Cl0.5 N2 O2.02 Zn0.25 -","- C5.5 H5 Cl0.5 N2 O2.03 Zn0.25 -","- C44 H40 Cl4 N16 O16.24 Zn2 -","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","","0.0605","0.058","","","0.1776","0.1813","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311139","21.5678","0.0011","21.5678","0.0011","16.2749","0.0012","90","","90","","90","","7570.6","0.8","193","2","193","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C122 H134 Mn9 N66 O32 -","- C122 H134 Mn9 N66 O32 -","- C244 H268 Mn18 N132 O64 -","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","","0.1221","0.0956","","","0.2445","0.2619","","","","","","1.126","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4313723","14.9692","0.0002","14.9692","0.0002","8.6265","0.0002","90","","90","","90","","1933","0.06","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","trans-[PtCl4{Z-NH=C(Et)NHC(Me)=O}2]","","","- C10 H20 Cl4 N4 O2 Pt -","- C10 H20 Cl4 N4 O2 Pt -","- C40 H80 Cl16 N16 O8 Pt4 -","4","0.5","","Nadezhda A. Bokach; Vadim Yu. Kukushkin; Matti Haukka; João J. R. Fraústo da Silva; Armando J. L. Pombeiro","Pop-the-Cork Strategy in Synthetic Utilization of Imines: Stabilization by Complexation and Activation via Liberation of the Ligated Species","Inorganic Chemistry","2003","42","","3602","3608","10.1021/ic034086j","","","0.71073","MoKα","","0.0537","0.03","","","0.0519","0.058","","","","","","1.157","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4314061","13.332","0.001","13.332","0.001","25.418","0.002","90","","90","","90","","4517.9","0.6","123","2","123","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[Ni(TINM)Cl2](TINM)0.25(H2O)4","","- C18.13 H15 Cl N2.5 Ni0.5 O7 -","- C18.125 H15 Cl N2.5 Ni0.5 O7 -","- C145 H120 Cl8 N20 Ni4 O56 -","8","1","","Kalle I. Nättinen; Kari Rissanen","Ligand Entrapment in Twofold Interpenetrating PtS Matrixes by Metallo-Organic Frameworks","Inorganic Chemistry","2003","42","","5126","5134","10.1021/ic034246r","","","0.71069","MoKα","","0.1349","0.0807","","","0.1941","0.2242","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4314062","13.4495","0.0003","13.4495","0.0003","25.413","0.0006","90","","90","","90","","4596.93","0.18","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[Co(TINM)Cl2](TINM)0.5","","- C21.75 H18 Cl Co0.5 N3 O6 -","- C21.75 H18 Cl Co0.5 N3 O6 -","- C174 H144 Cl8 Co4 N24 O48 -","8","1","","Kalle I. Nättinen; Kari Rissanen","Ligand Entrapment in Twofold Interpenetrating PtS Matrixes by Metallo-Organic Frameworks","Inorganic Chemistry","2003","42","","5126","5134","10.1021/ic034246r","","","0.71069","MoKα","","0.1356","0.0725","","","0.1832","0.2222","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4314084","22.756","0.003","22.756","0.003","13.686","0.003","90","","90","","90","","7087","2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C20 H32.75 Cl2 N13 O14.88 Pt2 -","- C20 H27 Cl2 N13 O14.875 Pt2 -","- C160 H216 Cl16 N104 O119 Pt16 -","8","1","","Jens Müller; Eva Freisinger; Pablo J. Sanz Miguel; Bernhard Lippert","Diplatinum(III) Complexes with Four Bridging 1-Methylcytosinato Nucleobases Derived from a Mononuclear trans-(NH3)2PtII Complex and CuII","Inorganic Chemistry","2003","42","","5117","5125","10.1021/ic0343152","","","0.71069","MoKα","","0.0921","0.0366","","0.1103","0.0699","","","","0.857","1.05","1.05","","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314631","24.1435","0.0002","24.1435","0.0002","13.8299","0.0002","90","","90","","90","","8061.57","0.15","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C30.5 H63 B9 Cl Mo4 -","- C30.5 H63 B9 Cl Mo4 -","- C244 H504 B72 Cl8 Mo32 -","8","1","","Rajendra S. Dhayal; Satyanarayan Sahoo; K. Hari Krishna Reddy; Shaikh M. Mobin; Eluvathingal D. Jemmis; Sundargopal Ghosh","Vertex-Fused Metallaborane Clusters: Synthesis, Characterization and Electronic Structure of [(η5-C5Me5Mo)3MoB9H18]","Inorganic Chemistry","2010","49","","900","904","10.1021/ic901481q","","","0.71073","MoKα","","0.0497","0.0316","","","0.0712","0.0742","","","","","","0.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314986","19.715","0.012","19.715","0.012","12.65","0.011","90","","90","","90","","4917","6","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C80 H92 F12 Ir4 N4 O20 S4 -","- C80 H92 F12 Ir4 N4 O20 S4 -","- C160 H184 F24 Ir8 N8 O40 S8 -","2","0.25","","Guo-Liang Wang; Yue-Jian Lin; Heinz Berke; Guo-Xin Jin","Two-Step Assembly of Multinuclear Metallacycles with Half-Sandwich Ir, Rh, and Ru Fragments for Counteranion Encapsulation","Inorganic Chemistry","2010","49","","2193","2201","10.1021/ic902011v","","","0.71073","MoKα","","0.1389","0.0483","","","0.1041","0.1255","","","","","","0.803","","","","has coordinates","179229","2020-10-21","18:00:00",""
"4315227","16.8876","0.0003","16.8876","0.0003","5.3414","0.0002","90","","90","","90","","1523.32","0.07","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","Xe F5 Os O3 F3","","","- F8 O3 Os Xe -","- F8 O3 Os Xe -","- F64 O24 Os8 Xe8 -","8","1","","Michael J. Hughes; Hélène P. A. Mercier; Gary J. Schrobilgen","Syntheses, Raman Spectra, and X-ray Crystal Structures of [XeF5][μ-F(OsO3F2)2] and [M][OsO3F3] (M = XeF5+, Xe2F11+)","Inorganic Chemistry","2010","49","","3501","3515","10.1021/ic100062x","","","0.71073","MoKα","","0.0472","0.0356","","","0.0703","0.0729","","","","","","1.356","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4316224","29.3244","0.0002","29.3244","0.0002","17.9383","0.0002","90","","90","","90","","15425.5","0.2","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C62.75 H80.5 B1.25 F30 O P6.25 Ru1.25 -","- C55 H61 B1.25 F30 P5 Ru -","- C440 H488 B10 F240 P40 Ru8 -","8","1","","Araminta E. W. Ledger; Aitor Moreno; Charles E. Ellul; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","Pincer Phosphine Complexes of Ruthenium: Formation of Ru(P-O-P)(PPh3)HCl (P-O-P = xantphos, DPEphos, (Ph2PCH2CH2)2O) and Ru(dppf)(PPh3)HCl and Characterization of Cationic Dioxygen, Dihydrogen, Dinitrogen, and Arene Coordinated Phosphine Products","Inorganic Chemistry","2010","49","","7244","7256","10.1021/ic100438d","","","0.7107","MoKα","","0.0875","0.0675","","","0.2011","0.2115","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4316330","12.2731","0.0008","12.2731","0.0008","25.135","0.003","90","","90","","90","","3786.1","0.6","291","2","291","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C25 H34 Cd N4 O8 S2 -","- C25 H34 Cd N4 O8 S2 -","- C100 H136 Cd4 N16 O32 S8 -","4","0.5","","Jun Zhang; Yun-Shan Xue; Li-Li Liang; Shi-Bin Ren; Yi-Zhi Li; Hong-Bin Du; Xiao-Zeng You","Porous Coordination Polymers of Transition Metal Sulfides with PtS Topology Built on a Semirigid Tetrahedral Linker","Inorganic Chemistry","2010","49","","7685","7691","10.1021/ic100212q","","","0.71073","MoKα","","0.0843","0.0544","","","0.1223","0.1284","","","","","","1.031","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316331","12.175","0.0007","12.175","0.0007","24.924","0.003","90","","90","","90","","3694.5","0.5","291","2","291","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C25 H30 Mn N4 O6 S2 -","- C25 H30 Mn N4 O6 S2 -","- C100 H120 Mn4 N16 O24 S8 -","4","0.5","","Jun Zhang; Yun-Shan Xue; Li-Li Liang; Shi-Bin Ren; Yi-Zhi Li; Hong-Bin Du; Xiao-Zeng You","Porous Coordination Polymers of Transition Metal Sulfides with PtS Topology Built on a Semirigid Tetrahedral Linker","Inorganic Chemistry","2010","49","","7685","7691","10.1021/ic100212q","","","0.71073","MoKα","","0.0941","0.054","","","0.1509","0.1747","","","","","","1.073","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316332","12.147","0.0004","12.147","0.0004","24.744","0.002","90","","90","","90","","3651","0.3","291","2","291","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C25 H29.46 Fe N4 O6 S2 -","- C25 H29.46 Fe N4 O6 S2 -","- C100 H117.84 Fe4 N16 O24 S8 -","4","0.5","","Jun Zhang; Yun-Shan Xue; Li-Li Liang; Shi-Bin Ren; Yi-Zhi Li; Hong-Bin Du; Xiao-Zeng You","Porous Coordination Polymers of Transition Metal Sulfides with PtS Topology Built on a Semirigid Tetrahedral Linker","Inorganic Chemistry","2010","49","","7685","7691","10.1021/ic100212q","","","0.71073","MoKα","","0.0852","0.0521","","","0.1441","0.1722","","","","","","1.068","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316333","12.079","0.0009","12.079","0.0009","24.539","0.004","90","","90","","90","","3580.3","0.7","291","2","291","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C25 H30 Co N4 O6 S2 -","- C25 H30 Co N4 O6 S2 -","- C100 H120 Co4 N16 O24 S8 -","4","0.5","","Jun Zhang; Yun-Shan Xue; Li-Li Liang; Shi-Bin Ren; Yi-Zhi Li; Hong-Bin Du; Xiao-Zeng You","Porous Coordination Polymers of Transition Metal Sulfides with PtS Topology Built on a Semirigid Tetrahedral Linker","Inorganic Chemistry","2010","49","","7685","7691","10.1021/ic100212q","","","0.71073","MoKα","","0.083","0.049","","","0.1049","0.1151","","","","","","1.035","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316421","12.9677","0.0006","12.9677","0.0006","13.545","0.0013","90","","90","","90","","2277.7","0.3","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C6 H6 Ag O5 S2 -","- C6 H6 Ag O5 S2 -","- C48 H48 Ag8 O40 S16 -","8","1","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che; Jianhua Lin","Reactions of H2S with AgCl within a Porous Coordination Network","Inorganic Chemistry","2010","49","","7629","7631","10.1021/ic101051r","","","0.71073","MoKα","","0.038","0.0317","","","0.0763","0.0817","","","","","","1.06","","","","has coordinates,has disorder","179244","2020-10-21","18:00:00",""
"4317378","10.1367","0.0008","10.1367","0.0008","16.2831","0.0017","90","","90","","90","","1673.1","0.3","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- Cs2 Mo3 O16 U2 -","- Cs2 Mo3 O16 U2 -","- Cs8 Mo12 O64 U8 -","4","0.5","","Sergey V. Krivovichev; Christopher L. Cahill; Peter C. Burns","Syntheses and Crystal Structures of Two Topologically Related Modifications of Cs2[(UO2)2(MoO4)3]","Inorganic Chemistry","2002","41","","34","39","10.1021/ic010345y","","","0.71073","MoKα","","0.0358","0.0264","","","0.0568","0.0584","","","","","","1.023","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4318206","20.815","0.0009","20.815","0.0009","18.5846","0.0012","90","","90","","90","","8052","0.7","110","2","110","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C15 H60 Cd2.75 N3.5 O29.5 P2 -","- C15 H28 Cd2.75 N3.5 O29.5 P2 -","- C120 H224 Cd22 N28 O236 P16 -","8","1","","Jiang-Gao Mao; Zhike Wang; Abraham Clearfield","Synthesis, Characterization, and Crystal Structures of Two New Divalent Metal Complexes of N,N'-Bis(phosphonomethyl)-1,10-diaza-18-crown-6: A Hydrogen-Bonded 1D Array and a 3D Network with a Large Channel","Inorganic Chemistry","2002","41","","3713","3720","10.1021/ic0200601","","","0.71073","MoKα","","0.0934","0.0716","","","0.1943","0.2293","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318831","17.317","0.007","17.317","0.007","7.507","0.005","90","","90","","90","","2251","2","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C5 H9 N O8.5 P Pb2 -","- C5 H6 N O8.5 P Pb2 -","- C40 H48 N8 O68 P8 Pb16 -","8","1","","Jiang-Gao Mao; Zhike Wang; Abraham Clearfield","New Lead Inorganic-Organic Hybrid Microporous and Layered Materials: Synthesis, Properties, and Crystal Structures","Inorganic Chemistry","2002","41","","6106","6111","10.1021/ic020396a","","","0.71073","MoKα","","0.0823","0.0553","","","0.121","0.1374","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319009","21.3823","0.0003","21.3823","0.0003","20.1766","0.0003","90","","90","","90","","9224.8","0.2","296.2","","","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C70 H102 F6 N16 O14 Rh4 S6 -","- C70 H90 F6 N16 O11.4 Rh4 S6 -","- C280 H360 F24 N64 O45.6 Rh16 S24 -","4","0.5","","Kazuaki Yamanari; Rie Ito; Shiori Yamamoto; Takumi Konno; Akira Fuyuhiro; Kousuke Fujioka; Ryuichi Arakawa","Cyclic Tetramers Composed of Rhodium(III), Iridium(III), or Ruthenium(II) Half-Sandwich and 6-Purinethiones","Inorganic Chemistry","2002","41","","6824","6830","10.1021/ic020449o","","","0.7107","MoKα","","","0.0466","","","","0.1445","","","","","","0.849","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319351","8.8486","0.0016","8.8486","0.0016","20.076","0.005","90","","90","","90","","1571.9","0.6","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C30 H22 Cl2 Co N6 O8 -","- C30 H22 Cl2 Co N6 O9 -","- C60 H44 Cl4 Co2 N12 O18 -","2","0.25","","Hiroki Oshio; Hartmut Spiering; Vadim Ksenofontov; Franz Renz; Philipp Gütlich","Electronic Relaxation Phenomena Following 57Co(EC)57Fe Nuclear Decay in [MnII(terpy)2](ClO4)2.1/2H2O and in the Spin Crossover Complexes [CoII(terpy)2]X2.nH2O (X = Cl and ClO4): A Mössbauer Emission Spectroscopic Study","Inorganic Chemistry","2001","40","","1143","1150","10.1021/ic000714a","","","0.71073","MoKα","","0.0677","0.0349","","","0.0774","0.0892","","","","","","0.937","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319440","10.505","0.001","10.505","0.001","15.916","0.003","90","","90","","90","","1756.4","0.4","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C10 H20 Cl2 N4 O2 Pt -","- C10 H20 Cl2 N4 O2 Pt -","- C40 H80 Cl8 N16 O8 Pt4 -","4","0.5","","Gabriele Wagner; Tatyana B. Pakhomova; Nadezhda A. Bokach; João J. R. Fraústo da Silva; Jose Vicente; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Reduction of (imine)Pt(IV) to (imine)Pt(II) Complexes with Carbonyl-Stabilized Phosphorus Ylides","Inorganic Chemistry","2001","40","","1683","1689","10.1021/ic000769c","","","0.71073","MoKα","","0.0394","0.0394","","","0.0982","0.0982","","","","","","1.043","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4320305","13.851","0.002","13.851","0.002","6.312","0.0013","90","","90","","90","","1211","0.4","143","2","143","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Germanium tetrafluoride bis(diethylether) adduct","","- C8 H20 F4 Ge O2 -","- C8 H20 F4 Ge O2 -","- C32 H80 F16 Ge4 O8 -","4","0.5","","Norbert W. Mitzel; Udo Losehand; Krunoslav Vojinovic","A Crystalline Diethyl Ether Adduct of Tetrafluorogermane","Inorganic Chemistry","2001","40","","5302","5303","10.1021/ic010367k","","","0.71073","MoKα","","0.0826","0.0418","","","0.1039","0.1214","","","","","","0.969","","","","has coordinates","301838","2025-08-20","22:17:32",""
"4321258","27.5025","0.0002","27.5025","0.0002","6.6317","0.0002","90","","90","","90","","5016.14","0.16","223","2","223","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C60 H64 P2 -","- C60 H64 P2 -","- C240 H256 P8 -","4","0.5","","Shashin Shah; Tom E. Concolino; Arnold L. Rheingold; John D. Protasiewicz","Sterically Encumbered Systems for Two Low-Coordinate Phosphorus Centers","Inorganic Chemistry","2000","39","","3860","3867","10.1021/ic0001558","","","0.71073","MoKα","","0.1022","0.077","","","0.192","0.2179","","","","","","1.051","","","","has coordinates","301838","2025-08-20","22:17:33",""
"4322025","31.551","0.001","31.551","0.001","12.9","0.001","90","","90","","90","","12841.5","1.1","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C299 H319 Cl3 N24 O4 Ru4 Zn -","- C220 H136 Cl N24 O4 Ru4 Zn -","- C440 H272 Cl2 N48 O8 Ru8 Zn2 -","2","0.25","","Enzo Alessio; Silvano Geremia; Stefano Mestroni; Ivana Srnova; Miroslav Slouf; Teresa Gianferrara; Anna Prodi","Porphyrin ""Flying-Saucers"": Solid State and Solution Structure of a Novel Pentameric Array of Axially-Ligated Canted Porphyrins","Inorganic Chemistry","1999","38","","2527","2529","10.1021/ic990084g","","","0.8","synchrotron","","0.0979","0.0832","","","0.237","0.245","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322524","16.622","0.006","16.622","0.004","24.19","0.05","90","","90","","90","","6683","14","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C55.2 H52.8 B2 Gd2 N24.4 O14.4 -","- C55.2 H52.8 B2 Gd2 N24.4 O14.4 -","- C220.8 H211.2 B8 Gd8 N97.6 O57.6 -","4","0.5","","Nicola Armaroli; Gianluca Accorsi; Francesco Barigelletti; Samantha M. Couchman; James S. Fleming; Nicholas C. Harden; John C. Jeffery; Karen L. V. Mann; Jon A. McCleverty; Leigh H. Rees; Sarah R. Starling; Michael D. Ward","Structural and Photophysical Properties of Mononuclear and Dinuclear Lanthanide(III) Complexes of Multidentate Podand Ligands Based on Poly(pyrazolyl)borates","Inorganic Chemistry","1999","38","","5769","5776","10.1021/ic990708i","","","0.71073","MoKα","","0.1883","0.1072","","0.2559","0.2016","","","","1.139","1.363","1.363","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4322691","23.711","0.002","23.711","0.002","8.438","0.0004","90","","90","","90","","4743.9","0.6","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","(Me5CpCr)2B5H9","","- C20 H39 B5 Cr2 -","- C20 H39 B5 Cr2 -","- C160 H312 B40 Cr16 -","8","1","","Simon Aldridge; Hisako Hashimoto; Kazumori Kawamura; Maoyu Shang; Thomas P. Fehlner","Cluster Expansion Reactions of Group 6 Metallaboranes. Syntheses, Crystal Structures, and Spectroscopic Characterizations of (Cp*Cr)2B5H9, (Cp*Cr)2B4H8Fe(CO)3, (Cp*Cr)2B4H7Co(CO)3, and (Cp*Mo)2B5H9Fe(CO)3","Inorganic Chemistry","1998","37","","928","940","10.1021/ic971251k","","","0.71073","MoKα","","0.1046","0.0652","","0.168","0.1484","","","","1.103","1.194","1.194","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4323389","21.183","0.002","21.18","0.003","8.324","0.002","90","","90","","90","","3734.6","1.1","25","","293","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C17 H27 B F4 Rh -","- C16.8 H16 B F4 N0.9 Rh -","- C134.4 H128 B8 F32 N7.2 Rh8 -","8","1","","Athanassios I. Philippopoulos; Nick Hadjiliadis; Claire E. Hart; Bruno Donnadieu; Patrick C. Mc Gowan; René Poilblanc","Transition-Metal Derivatives of a Functionalized Cyclopentadienyl Ligand. 15.Synthesis and Structures of Amino Cyclopentadienyl Derivatives of Rhodium(I) and Rhodium(III) Including Water-Soluble Compounds","Inorganic Chemistry","1997","36","","1842","1849","10.1021/ic960395g","","","0.71073","MoKα","","","0.0473","","","0.0526","","","","","1.0947","1.0947","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325063","18.6883","0.0002","18.6883","","13.3732","0.0002","90","","90","","90","","4670.62","0.09","150","2","150","2","","","","","","","Ross Forgan","5","P 42/n :2","-P 4bc","86","","","","- C24 H32 Cu N2 O4 -","- C24 H32 Cu N2 O4 -","- C192 H256 Cu8 N16 O32 -","8","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.1239","0.0511","","","0.1148","0.147","","","","","","1.062","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325799","26.407","0.002","26.407","0.002","11.9662","0.0011","90","","90","","90","","8344.4","1.2","100","0.1","100","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","eismc10","","","- C44 H36 Cu N O2 P2 -","- C44 H36 Cu N O2 P2 -","- C352 H288 Cu8 N8 O16 P16 -","8","1","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.0895","0.0552","","","0.1523","0.166","","","","","","1.064","","","","has coordinates,has disorder","301838","2025-08-20","22:17:42",""
"4325972","17.9569","0.0002","17.9569","0.0002","13.6231","0.0002","90","","90","","90","","4392.77","0.09","100","2","100","2","","","","","","","synthesis as described","7","P 42/n :2","-P 4bc","86","","","","- C39 H44 Au2 Cl4 Fe4 O6 P2 -","- C39 H44 Au2 Cl4 Fe4 O6 P2 -","- C156 H176 Au8 Cl16 Fe16 O24 P8 -","4","0.5","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","0.71073","MoKα","","0.0267","0.0223","","","0.0482","0.051","","","","","","1.144","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326122","18.2189","0.0018","18.2189","0.0018","13.45","0.0015","90","","90","","90","","4464.4","0.8","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C92 H80 N12 O24 Zn8 -","- C92 H80 N12 O24 Zn8 -","- C184 H160 N24 O48 Zn16 -","2","0.25","","Robert M. Haak; Antonello Decortes; Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Jordi Benet-Buchholz; Arjan W. Kleij","Shape-Persistent Octanuclear Zinc Salen Clusters: Synthesis, Characterization, and Catalysis","Inorganic Chemistry","2011","50","","7934","7936","10.1021/ic201064d","","","0.71073","MoKα","","0.057","0.0388","","","0.1004","0.117","","","","","","1.179","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4326292","10.848","0.0008","10.848","0.0008","28.72","0.003","90","","90","","90","","3379.7","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 42/n :2","-P 4bc","86","","","","- C25 H58 Cu N8 O8 -","- C25 H58 Cu N8 O8 -","- C100 H232 Cu4 N32 O32 -","4","0.5","","Chang-Jin Qin; Lloyd James; Jy D. Chartres; Leighton J. Alcock; Kimberley J. Davis; Anthony C. Willis; Alan M. Sargeson; Paul V. Bernhardt; Stephen F. Ralph","An Unusually Flexible Expanded Hexaamine Cage and Its CuII Complexes: Variable Coordination Modes and Incomplete Encapsulation","Inorganic Chemistry","2011","50","","9131","9140","10.1021/ic201326d","","x-ray","0.71073","MoKα","","0.2252","0.0689","","","0.1559","0.1867","","","","","","0.71","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326702","20.961","0.003","20.961","0.003","7.9322","0.0016","90","","90","","90","","3485.1","1","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H20 N24 O2 Zn2 -","- C32 H20 N24 O2 Zn2 -","- C128 H80 N96 O8 Zn8 -","4","0.5","","Tong-Liang Hu; Ying Tao; Ze Chang; Xian-He Bu","Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand Showing Various Structures: Impact of Reaction Conditions on the Final Product Structures","Inorganic Chemistry","2011","50","","10994","11003","10.1021/ic2015463","","","0.71073","MoKα","","0.0819","0.0602","","","0.0877","0.0934","","","","","","1.207","","","","has coordinates","301838","2025-08-20","22:17:43",""
"4327609","14.26","0.003","14.2604","","14.618","0.005","90","","90","","90","","2972.6","1.2","213.2","","213.2","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- Cs F30 O6 Sb Te6 -","- Cs F30 O6 Sb0.5 Te6 -","- Cs4 F120 O24 Sb2 Te24 -","4","0.5","","T. Stanley Cameron; Ingo Krossing; Jack Passmore","The First Simple, Donor-Free Salt of the Sb(OTeF5)6- Anion: Synthesis, Structure, Characterization, and Thermochemistry of Cs[Sb(OTeF5)6]","Inorganic Chemistry","2001","40","","4488","4490","10.1021/ic010217+","","","0.7107","MoKα","","0.0592","0.0582","","0.051","","0.051","","","1.766","","","1.77","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4329620","19.6818","0.0018","19.6818","0.0018","13.5412","0.0012","90","","90","","90","","5245.5","0.8","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","11088a","","","- C60 H54 B2 N12 Ni2 O2 -","- C60 H54 B2 N12 Ni2 O2 -","- C240 H216 B8 N48 Ni8 O8 -","4","0.5","","Tapash Deb; Gregory T. Rohde; Victor G. Young; Michael P. Jensen","Aerobic and Hydrolytic Decomposition of Pseudotetrahedral Nickel Phenolate Complexes","Inorganic Chemistry","2012","51","","7257","7270","10.1021/ic300551z","","","0.71073","MoKα","","0.0559","0.0389","","","0.0983","0.1088","","","","","","1.02","","","","has coordinates","301838","2025-08-20","22:17:48",""
"4330244","20.0641","0.0008","20.0641","0.0008","8.8106","0.0007","90","","90","","90","","3546.9","0.3","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C38 H38 Mn2 N4 O8 -","- C38 H38 Mn2 N4 O8 -","- C152 H152 Mn8 N16 O32 -","4","0.5","","Lu-Fang Ma; Min-Le Han; Jian-Hua Qin; Li-Ya Wang; Miao Du","MnIICoordination Polymers Based on Bi-, Tri-, and Tetranuclear and Polymeric Chain Building Units: Crystal Structures and Magnetic Properties","Inorganic Chemistry","2012","51","","9431","9442","10.1021/ic3012537","","","0.71073","MoKα","","0.0395","0.0299","","","0.0749","0.0811","","","","","","1.017","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330576","16.9722","0.0007","16.9722","0.0007","5.6208","0.0005","90","","90","","90","","1619.1","0.17","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C10 H4 Cu F14 N4 -","- C10 H4 Cu F14 N4 -","- C40 H16 Cu4 F56 N16 -","4","0.5","","Victor N. Khrustalev; Svetlana O. Kostenko; Mikhail I. Buzin; Alexander A. Korlyukov; Yan V. Zubavichus; Michael A. Kurykin; Mikhail Yu. Antipin","Highly Flexible Molecule ""Chameleon"": Reversible Thermochromism and Phase Transitions in Solid Copper(II) Diiminate Cu[CF3-C(NH)-CF=C(NH)-CF3]2","Inorganic Chemistry","2012","51","","10590","10602","10.1021/ic300814w","","","0.71073","MoKα","","0.0688","0.0388","","","0.1051","0.1333","","","","","","1.001","","","","has coordinates","301839","2025-08-20","22:57:33",""
"4330577","16.7731","0.0003","16.7731","0.0003","5.5775","0.0002","90","","90","","90","","1569.16","0.07","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C10 H4 Cu F14 N4 -","- C10 H4 Cu F14 N4 -","- C40 H16 Cu4 F56 N16 -","4","0.5","","Victor N. Khrustalev; Svetlana O. Kostenko; Mikhail I. Buzin; Alexander A. Korlyukov; Yan V. Zubavichus; Michael A. Kurykin; Mikhail Yu. Antipin","Highly Flexible Molecule ""Chameleon"": Reversible Thermochromism and Phase Transitions in Solid Copper(II) Diiminate Cu[CF3-C(NH)-CF=C(NH)-CF3]2","Inorganic Chemistry","2012","51","","10590","10602","10.1021/ic300814w","","","0.71073","MoKα","","0.0446","0.0303","","","0.07","0.084","","","","","","1.002","","","","has coordinates","301839","2025-08-20","22:57:33",""
"4330657","21.5703","0.0007","21.5703","0.0007","15.586","0.0008","90","","90","","90","","7251.8","0.5","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","tt4_94","tt4_94","","- C40 H47 Cl N2 P2 Ru -","- C40 H47 Cl N2 P2 Ru -","- C320 H376 Cl8 N16 P16 Ru8 -","8","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0285","0.0213","","","0.0511","0.056","","","","","","1.061","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4331096","22.6978","0.0006","22.6978","0.0006","22.9284","0.0008","90","","90","","90","","11812.5","0.6","163","","163","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C180 H282 N14 Ni20 O76 -","- C180 H268 N14 Ni20 O76 -","- C360 H536 N28 Ni40 O152 -","2","0.25","","Takayuki Nakajima; Keiko Seto; Fumihiro Horikawa; Isao Shimizu; Andreas Scheurer; Bunsho Kure; Takashi Kajiwara; Tomoaki Tanase; Masahiro Mikuriya","Wheel-Shaped Icosanuclear Homo- and Heterometallic Complexes of NiII, CoII, and CuII Ions Supported by Unsymmetrical Aminoalcohol Ligands","Inorganic Chemistry","2012","51","","12503","12510","10.1021/ic3019106","","","0.7107","MoKα","","","0.0516","","","","0.1456","","","","","","1.138","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331097","22.826","0.007","22.826","0.007","23.129","0.007","90","","90","","90","","12051","6","153","","153","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C188 H302 Co20 N14 O78 -","- C188 H224 Co20 N14 O78 -","- C376 H448 Co40 N28 O156 -","2","0.25","","Takayuki Nakajima; Keiko Seto; Fumihiro Horikawa; Isao Shimizu; Andreas Scheurer; Bunsho Kure; Takashi Kajiwara; Tomoaki Tanase; Masahiro Mikuriya","Wheel-Shaped Icosanuclear Homo- and Heterometallic Complexes of NiII, CoII, and CuII Ions Supported by Unsymmetrical Aminoalcohol Ligands","Inorganic Chemistry","2012","51","","12503","12510","10.1021/ic3019106","","","0.7107","MoKα","","","0.0483","","","","0.1397","","","","","","1.092","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331098","22.724","0.011","22.724","0.011","22.778","0.012","90","","90","","90","","11762","10","153","","153","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C184 H292 Co10.52 N14 Ni9.48 O77 -","- C184 H220 Co10.52 N14 Ni9.48 O77 -","- C368 H440 Co21.04 N28 Ni18.96 O154 -","2","0.25","","Takayuki Nakajima; Keiko Seto; Fumihiro Horikawa; Isao Shimizu; Andreas Scheurer; Bunsho Kure; Takashi Kajiwara; Tomoaki Tanase; Masahiro Mikuriya","Wheel-Shaped Icosanuclear Homo- and Heterometallic Complexes of NiII, CoII, and CuII Ions Supported by Unsymmetrical Aminoalcohol Ligands","Inorganic Chemistry","2012","51","","12503","12510","10.1021/ic3019106","","","0.71075","MoKα","","","0.0664","","","","0.2065","","","","","","1.072","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331888","16.1224","0.0008","16.1224","0.0008","11.5088","0.0011","90","","90","","90","","2991.5","0.4","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 Co N6 O9 -","- C8 H18 Co N6 O8 -","- C64 H144 Co8 N48 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.0672","0.0579","","","0.1425","0.1486","","","","","","1.058","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331889","16.2542","0.0008","16.2542","0.0008","11.535","0.001","90","","90","","90","","3047.5","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 Fe N6 O9 -","- C8 H18 Fe N6 O8 -","- C64 H144 Fe8 N48 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.0991","0.0815","","","0.199","0.2098","","","","","","1.114","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331890","16.1405","0.0006","16.1405","0.0006","11.5809","0.0008","90","","90","","90","","3017","0.3","130","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 Mg N6 O9 -","- C8 H18 Mg N6 O8 -","- C64 H144 Mg8 N48 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.1039","0.09","","","0.241","0.2526","","","","","","1.094","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331891","16.289","0.0012","16.289","0.0012","11.5022","0.0017","90","","90","","90","","3051.9","0.6","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 Mn N6 O9 -","- C8 H18 Mn N6 O8 -","- C64 H144 Mn8 N48 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.1123","0.0862","","","0.1973","0.2135","","","","","","1.066","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331892","16.0562","0.0008","16.0562","0.0008","11.6135","0.0012","90","","90","","90","","2994","0.4","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 N6 Ni O9 -","- C8 H18 N6 Ni O8 -","- C64 H144 N48 Ni8 O64 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.0583","0.0487","","","0.1307","0.1372","","","","","","1.062","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4331893","16.1337","0.0005","16.1337","0.0005","11.646","0.0007","90","","90","","90","","3031.4","0.2","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H20 N6 O9 Zn -","- C8 H18 N6 O8 Zn -","- C64 H144 N48 O64 Zn8 -","8","1","","Hudson, Timothy A.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","Citrate, in Collaboration with a Guanidinium Ion, as a Generator of Cubane-like Complexes with a Range of Metal Cations: Synthesis, Structures, and Magnetic Properties of [C(NH2)3]8[(MII)4(cit)4]·8H2O (M = Mg, Mn, Fe, Co, Ni, and Zn; cit = Citrate)","Inorganic Chemistry","2006","45","9","3549","3556","10.1021/ic051779m","","","0.71073","MoKα","","0.0506","0.0442","","","0.1262","0.1312","","","","","","1.067","","","","has coordinates","189196","2020-10-21","18:00:00",""
"4332462","24.3614","0.0006","24.3614","0.0006","19.214","0.0009","90","","90","","90","","11403.1","0.7","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C58 H80 Cs2 Mo O9.5 -","- C58 H76 Cs2 Mo O9.5 -","- C464 H608 Cs16 Mo8 O76 -","8","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.0528","0.0471","","","0.1002","0.1021","","","","","","1.172","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332605","22.477","0.003","22.477","0.003","6.4602","0.0011","90","","90","","90","","3263.8","0.8","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C9 H21.5 Cl Cu N6 O4.25 -","- C36 H76 Cl4 Cu4 N24 O17 -","- C72 H152 Cl8 Cu8 N48 O34 -","2","0.25","","Kong, Ling-Yan; Zhu, Hui-Fang; Huang, Yong-Qing; Okamura, Taka-aki; Lu, Xi-Hong; Song, You; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(II) and Copper(II) Complexes with Imidazole-Containing Tripodal Polyamine Ligands: pH and Anion Effects on Carbon Dioxide Fixation and Assembling","Inorganic Chemistry","2006","45","20","8098","8107","10.1021/ic0605524","","","0.71073","MoKα","","0.1026","0.0603","","","0.137","0.1549","","","","","","1.032","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332661","39.305","0.006","39.305","0.006","17.81","0.004","90","","90","","90","","27514","9","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C356 H328 Mn20 N40 O80 S18 -","- C356 H328 Mn20 N40 O80 S18 -","- C712 H656 Mn40 N80 O160 S36 -","2","0.25","","Moon, Dohyun; Lee, Kyungjae; John, Rohith P.; Kim, Ghyung Hwa; Suh, Byoung Jin; Lah, Myoung Soo","Steric Control of a Bridging Ligand for High-Nuclearity Metallamacrocycle Formation: A Highly Puckered 60-Membered Icosanuclear Metalladiazamacrocycle","Inorganic Chemistry","2006","45","20","7991","7993","10.1021/ic060646d","","","0.74999","synchrotron","","0.0757","0.0686","","","0.218","0.2239","","","","","","1.067","","","","has coordinates,has disorder","301839","2025-08-20","22:57:36",""
"4333241","22.285","0.008","22.285","0.008","3.8905","0.0015","90","","90","","90","","1932.1","1.2","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C16 H16 Cu N14 -","- C16 H16 Cu N14 -","- C64 H64 Cu4 N56 -","4","0.5","","Zheng, Ling-Ling; Zhang, Wei-Xiong; Qin, Lian-Jing; Leng, Ji-Dong; Lu, Jun-Xian; Tong, Ming-Liang","Isolation of a Pentadentate Ligand and Stepwise Synthesis, Structures, and Magnetic Properties of a New Family of Homo- and Heterotrinuclear Complexes","Inorganic Chemistry","2007","46","23","9548","9557","10.1021/ic070343z","","","0.71073","MoKα","","0.1191","0.065","","","0.0999","0.1132","","","","","","1.181","","","","has coordinates","301839","2025-08-20","22:57:36",""
"4333977","24.3557","0.0003","24.3557","0.0003","8.4086","0.0002","90","","90","","90","","4987.98","0.15","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H32 B4 Mo2 Se -","- C20 H32 B4 Mo2 Se0.996 -","- C160 H256 B32 Mo16 Se7.968 -","8","1","","Arunabha Thakur; Kiran Kumar Varma Chakrahari; Bijan Mondal; Sundargopal Ghosh","Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck","Inorganic Chemistry","2013","52","","2262","2264","10.1021/ic3022358","","","0.71073","MoKα","","0.1601","0.0675","","","0.1732","0.217","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335445","24.2242","0.0009","24.2242","0.0009","8.3666","0.0006","90","","90","","90","","4909.6","0.4","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H36.5 B4.5 Mo2 S -","- C20 H33.5 B4.5 Mo2 S -","- C160 H268 B36 Mo16 S8 -","8","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0724","0.0554","","","0.106","0.1146","","","","","","1.234","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335446","24.3557","0.0003","24.3557","0.0003","8.4086","0.0002","90","","90","","90","","4987.98","0.15","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H32 B4 Mo2 Se -","- C20 H32 B4 Mo2 Se0.996 -","- C160 H256 B32 Mo16 Se7.968 -","8","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.1601","0.0675","","","0.1732","0.217","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335448","24.1695","0.0002","24.1695","0.0002","8.6072","0.0001","90","","90","","90","","5028.02","0.08","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H33 B5 Mo2 Se -","- C20 H34 B5 Mo2 Se -","- C160 H272 B40 Mo16 Se8 -","8","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","1.54184","CuKα","","0.0767","0.0745","","","0.1981","0.2","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336177","13.0938","0.0006","13.0938","0.0006","9.4657","0.0003","90","","90","","90","","1622.87","0.12","123","2","123","2","","","","","","","synthesis as described","6","P 42/n :2","-P 4bc","86","","","","- C16 H41 Ag Cu4 N8 O17 -","- C16 H41 Ag Cu4 N8 O17 -","- C32 H82 Ag2 Cu8 N16 O34 -","2","0.25","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.0685","0.0521","","","0.095","0.1023","","","","","","1.102","","","","has coordinates","301839","2025-08-20","22:57:39",""
"4336178","13.124","0.0005","13.124","0.0005","9.4257","0.0002","90","","90","","90","","1623.48","0.09","123","2","123","2","","","","","","","synthesis as described","6","P 42/n :2","-P 4bc","86","","","","- C16 H41 Cu4 N8 Na O17 -","- C16 H41 Cu4 N8 Na O17 -","- C32 H82 Cu8 N16 Na2 O34 -","2","0.25","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.0611","0.0522","","","0.0989","0.1034","","","","","","1.043","","","","has coordinates","301839","2025-08-20","22:57:39",""
"4336179","13.133","0.0004","13.133","0.0004","9.6551","0.0002","90","","90","","90","","1665.27","0.08","123","2","123","2","","","","","","","synthesis as described","6","P 42/n :2","-P 4bc","86","","","","- C16 H41 Cu4 K N8 O17 -","- C16 H41 Cu4 K N8 O17 -","- C32 H82 Cu8 K2 N16 O34 -","2","0.25","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.06","0.0509","","","0.1152","0.1209","","","","","","1.049","","","","has coordinates","301839","2025-08-20","22:57:39",""
"4337017","15.8533","0.0004","15.8533","0.0004","14.9665","0.0008","90","","90","","90","","3761.5","0.2","105","2","105","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C72 H92 N4 Pd4 Zn8 -","- C72 H92 N4 Pd4 Zn8 -","- C144 H184 N8 Pd8 Zn16 -","2","0.25","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","1.54184","CuKα","","0.0553","0.0392","","","0.0996","0.1124","","","","","","1.032","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4337036","23.0979","0.0001","23.0979","0.0001","16.4166","0.0003","90","","90","","90","","8758.47","0.17","100","0.1","100","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C108 H112 Cl4 N4 O44 Zr12 -","- C108 H112 Cl4 N4 O44 Zr12 -","- C216 H224 Cl8 N8 O88 Zr24 -","2","0.25","","Guoliang Liu; Zhanfeng Ju; Daqiang Yuan; Maochun Hong","In Situ Construction of a Coordination Zirconocene Tetrahedron","Inorganic Chemistry","2013","52","","13815","13817","10.1021/ic402428m","","","1.54178","CuKα","","0.0636","0.0546","","","0.1411","0.1477","","","","","","1.078","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4337086","22.671","0.004","22.671","0.004","10.073","0.003","90","","90","","90","","5177","2","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C42 H40 Mn4 N22 O15 -","- C42 H40 Mn4 N22 O15 -","- C168 H160 Mn16 N88 O60 -","4","0.5","","Qin, Jianhua; Jia, Yanyuan; Li, Huijun; Zhao, Bei; Wu, Dongqing; Zang, Shuangquan; Hou, Hongwei; Fan, Yaoting","Conversion from a heterochiral [2 + 2] coaxially nested double-helical column to a cationic spiral staircase stimulated by an ionic liquid anion.","Inorganic chemistry","2014","53","2","685","687","10.1021/ic402598p","","","0.71073","MoKα","","0.0951","0.0654","","","0.1744","0.2037","","","","","","1.026","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337384","28.064","0.004","28.064","0.004","6.6762","0.0013","90","","90","","90","","5258.1","1.5","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C14.67 H12 Cl4 N2.67 Pd1.33 -","- C14.6667 H12 Cl4 N2.66667 Pd1.33333 -","- C176 H144 Cl48 N32 Pd16 -","12","1.5","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.0576","0.0435","","","0.0966","0.1023","","","","","","1.091","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337617","34.0083","0.0004","34.0083","0.0004","12.0595","0.0002","90","","90","","90","","13947.6","0.3","100","0.1","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C191 H216 N74 Ni20 O74 -","- C191 H142 N74 Ni20 O74 -","- C382 H284 N148 Ni40 O148 -","2","0.25","","Esteban, Jordi; Font-Bardia, Mercè; Costa, José Sánchez; Teat, Simon J.; Escuer, Albert","New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization.","Inorganic chemistry","2014","53","6","3194","3203","10.1021/ic500057j","","","1.54178","CuKα","","0.071","0.0684","","","0.2147","0.219","","","","","","1.142","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4340483","21.07","0.005","21.07","0.005","10.811","0.005","90","0.005","90","0.005","90","0.005","4799","3","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H80 Fe4 N8 O16 P4 -","- C76 H80 Fe4 N8 O16 P4 -","- C152 H160 Fe8 N16 O32 P8 -","2","0.25","","Goura, Joydeb; Bag, Prasenjit; Mereacre, Valeriu; Powell, Annie K.; Chandrasekhar, Vadapalli","Molecular Iron(III) Phosphonates: Synthesis, Structure, Magnetism, and Mössbauer Studies.","Inorganic chemistry","2014","53","15","8147","","10.1021/ic5012154","","","0.71069","MoKα","","0.0838","0.0699","","","0.1756","0.1821","","","","","","1.063","","","","has coordinates","301840","2025-08-20","23:44:52",""
"4340552","24.82","0.003","24.82","0.003","10.501","0.002","90","","90","","90","","6469","1.7","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H80 Cu4 N12 O18 -","- C48 H80 Cu4 N12 O18 -","- C192 H320 Cu16 N48 O72 -","4","0.5","","Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.","Inorganic chemistry","2014","53","16","8257","8269","10.1021/ic5005177","","","0.71073","MoKα","","0.0857","0.0703","","","0.2241","0.2372","","","","","","1.167","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4342802","31.167","0.0008","31.167","0.0008","19.4711","0.0004","90","","90","","90","","18913.9","0.8","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C138 H252 Fe6 N12 O6 P12 -","- C138 H252 Fe6 N12 O6 P12 -","- C552 H1008 Fe24 N48 O24 P48 -","4","0.5","","Rivada-Wheelaghan, Orestes; Dauth, Alexander; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis and reactivity of iron complexes with a new pyrazine-based pincer ligand, and application in catalytic low-pressure hydrogenation of carbon dioxide.","Inorganic chemistry","2015","54","9","4526","4538","10.1021/acs.inorgchem.5b00366","","","0.71073","MoKα","","0.0779","0.051","","","0.13","0.1398","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4345178","19.286","0.003","19.286","0.003","7.4995","0.0015","90","","90","","90","","2789.4","0.8","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C10 H12 Ag I2 N S -","- C10 H12 Ag I2 N S -","- C80 H96 Ag8 I16 N8 S8 -","8","1","","Liu, Guang-Ning; Jiang, Xiao-Ming; Fan, Qing-Shun; Hussain, Muhammad Bilal; Li, Ke; Sun, Hui; Li, Xin-Yu; Liu, Wan-Qing; Li, Cuncheng","Water Stability Studies of Hybrid Iodoargentates Containing N-Alkylated or N-Protonated Structure Directing Agents: Exploring Noncentrosymmetric Hybrid Structures.","Inorganic chemistry","2017","56","4","1906","1918","10.1021/acs.inorgchem.6b02478","","","0.71073","MoKα","","0.0403","0.0276","","","0.0575","0.0647","","","","","","1.01","","","","has coordinates","211418","2020-10-21","18:00:00",""
"4345284","14.8804","0.0002","14.8804","0.0002","8.667","0.0003","90","","90","","90","","1919.1","0.08","294.25","0.19","294.25","0.19","","","","","","","","5","P 42/n :2","-P 4bc","86","","T2@PR","","- C20 H48 Ge4 N4 S10 -","- C20 H48 Ge4 N4 S10 -","- C40 H96 Ge8 N8 S20 -","2","0.25","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.0259","0.0202","","","0.0481","0.0499","","","","","","1.026","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4345288","16.0719","0.0006","16.0719","0.0006","9.5961","0.0009","90","","90","","90","","2478.7","0.3","298","1","298","1","","","","","","","","5","P 42/n :2","-P 4bc","86","","T2@n-BV","","- C36 H52 Ge4 N4 S10 -","- C36 H52 Ge4 N4 S10 -","- C72 H104 Ge8 N8 S20 -","2","0.25","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.1865","0.0718","","","0.1442","0.1816","","","","","","0.93","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4345289","16.49","0.0003","16.49","0.0003","9.6098","0.0004","90","","90","","90","","2613.1","0.13","226","5","226","5","","","","","","","","5","P 42/n :2","-P 4bc","86","","T2@AV","","- C40 H60 Ge4 N4 S10 -","- C40 H60 Ge4 N4 S10 -","- C80 H120 Ge8 N8 S20 -","2","0.25","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.0692","0.0495","","","0.1476","0.16","","","","","","1.117","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4345290","15.794","0.0006","15.794","0.0006","10.4551","0.0009","90","","90","","90","","2608","0.3","273","2","273","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","T2@BV","","- C48 H44 Ge4 N4 S10 -","- C48 H44 Ge4 N4 S10 -","- C96 H88 Ge8 N8 S20 -","2","0.25","","Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao","Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.","Inorganic chemistry","2017","56","6","3119","3122","10.1021/acs.inorgchem.6b03061","","","0.71073","MoKα","","0.2156","0.1144","","","0.2784","0.3267","","","","","","1.036","","","","has coordinates","301840","2025-08-20","23:45:00",""
"4347324","18.001","0.005","18.001","0.005","12.946","0.005","90","0.005","90","0.005","90","0.005","4195","2","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C52 H36 Cu2 Mo12 N16 O54 P -","- C52 H36 Cu2 Mo12 N16 O54 P -","- C104 H72 Cu4 Mo24 N32 O108 P2 -","2","0.25","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.0665","0.0381","","","0.0966","0.1125","","","","","","0.955","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347325","18.12","0.005","18.12","0.005","12.905","0.005","90","0.005","90","0.005","90","0.005","4237","2","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C52 H36 Cu2 N16 O54 Si W12 -","- C52 H36 Cu2 N16 O54 Si W12 -","- C104 H72 Cu4 N32 O108 Si2 W24 -","2","0.25","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.0567","0.0311","","","0.0672","0.0764","","","","","","1.004","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347388","17.2359","0.0003","17.2359","0.0003","13.2617","0.0002","90","","90","","90","","3939.74","0.11","133","2","133","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C80 H60 B4 Co4 F16 N32 -","- C80 H60 B4 Co4 F16 N32 -","- C160 H120 B8 Co8 F32 N64 -","2","0.25","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 × 2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.0359","0.0314","","","0.0751","0.0775","","","","","","1.08","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02",""
"4347690","16.5194","0.0009","16.5194","0.0009","21.64","0.002","90","","90","","90","","5905.4","0.7","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C53 H168 Cu20 N8 O70 -","- C53 H168 Cu20 N8 O70 -","- C106 H336 Cu40 N16 O140 -","2","0.25","","Chen, Juan; Zhou, Hulan; Xu, Feng","Bottom-Up Self-Assembly of the Sphere-Shaped Icosametallic Oxo Clusters {Cu20} and {Cu12Zn8}.","Inorganic chemistry","2016","55","10","4695","4697","10.1021/acs.inorgchem.6b00487","","","0.71073","MoKα","","0.0497","0.032","","","0.0706","0.0787","","","","","","1.056","","","","has coordinates,has disorder","232442","2020-10-21","18:00:00",""
"4347761","14.8396","0.0003","14.8396","0.0003","11.7863","0.0003","90","","90","","90","","2595.51","0.1","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","2(hex)","","","- C28 H30 N2 P2 Sn -","- C28 H30 N2 P2 Sn -","- C112 H120 N8 P8 Sn4 -","4","0.5","","Arras, Janet; Eichele, Klaus; Maryasin, Boris; Schubert, Hartmut; Ochsenfeld, Christian; Wesemann, Lars","Intermolecular (119)Sn,(31)P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex.","Inorganic chemistry","2016","55","9","4669","4675","10.1021/acs.inorgchem.6b00573","","","0.71073","MoKα","","0.0358","0.0284","","","0.0585","0.0612","","","","","","1.124","","","","has coordinates","232489","2020-10-21","18:00:00",""
"4347806","24.9451","0.001","24.9451","0.001","15.7646","0.0007","90","","90","","90","","9809.6","0.7","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","Sc3N@C80PNO","","","- C90.5 H9 Cl2 N2 O4 S Sc3 -","- C90.5 H9 Cl2 N2 O4 S Sc3 -","- C724 H72 Cl16 N16 O32 S8 Sc24 -","8","1","","Bao, Lipiao; Chen, Muqing; Shen, Wangqiang; Pan, Changwang; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Akasaka, Takeshi; Lu, Xing","Regioselective Synthesis and Crystallographic Characterization of Isoxazoline-Ring-Fused Derivatives of Sc3N@Ih-C80 and C60.","Inorganic chemistry","2016","55","9","4075","4077","10.1021/acs.inorgchem.6b00631","","","0.7749","","","0.201","0.1928","","","0.5896","0.5993","","","","","","3.367","","","","has coordinates,has disorder","232513","2020-10-21","18:00:00",""
"4350026","13.68397","0.00019","13.68397","0.00019","15.0654","0.0003","90","","90","","90","","2821.01","0.08","99.7","0.6","99.7","0.6","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0305","0.0281","","","0.0665","0.0676","","","","","","1.173","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350027","13.69968","0.00018","13.69968","0.00018","15.0187","0.0003","90","","90","","90","","2818.73","0.08","299","2","299","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0343","0.0322","","","0.0827","0.084","","","","","","1.172","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350028","13.6944","0.0002","13.6944","0.0002","15.0329","0.0004","90","","90","","90","","2819.22","0.09","250","0.6","250","0.6","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0303","0.0272","","","0.067","0.0685","","","","","","1.133","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350029","13.6875","0.0002","13.6875","0.0002","15.0535","0.0003","90","","90","","90","","2820.24","0.08","150","0.7","150","0.7","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0303","0.0278","","","0.0699","0.0711","","","","","","1.177","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350030","13.6914","0.0002","13.6914","0.0002","15.0409","0.0004","90","","90","","90","","2819.48","0.09","199","2","199","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0305","0.0279","","","0.0695","0.0709","","","","","","1.182","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350302","17.6531","0.0013","17.6531","0.0013","31.496","0.003","90","","90","","90","","9815.2","1.4","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C170 H290 Eu4 N10 O42 S8 -","- C170 H264 Eu4 N10 O42 S8 -","- C340 H528 Eu8 N20 O84 S16 -","2","0.25","","Kajiwara, Takashi; Katagiri, Kensuke; Hasegawa, Miki; Ishii, Ayumi; Ferbinteanu, Marilena; Takaishi, Shinya; Ito, Tasuku; Yamashita, Masahiro; Iki, Nobuhiko","Conformation-controlled luminescent properties of lanthanide clusters containing p-tert-butylsulfonylcalix[4]arene.","Inorganic chemistry","2006","45","13","4880","4882","10.1021/ic060397t","","","0.71073","MoKα","","0.2096","0.0572","","","0.0798","0.1024","","","","","","0.627","","","","has coordinates,has disorder","239830","2020-10-21","18:00:00",""
"4350664","20.116","0.002","20.116","0.002","21.63","0.002","90","","90","","90","","8752.7","1.5","153","2","153","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C128 H117.5 Cl14 Fe6.86 N58.5 O49 -","- C128 H105 Cl14 Fe6.856 N58.5 O49 -","- C256 H210 Cl28 Fe13.712 N117 O98 -","2","0.25","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.7107","MoKα","","0.0991","0.0972","","","0.281","0.2834","","","","","","1.099","","","","has coordinates,has disorder","239979","2020-10-21","18:00:00",""
"4350665","20.2231","0.0008","20.2231","0.0008","22.415","0.002","90","","90","","90","","9167.1","1","193","2","193","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C114 H84 Cl12 Fe7.47 N54 O36 -","- C114 H84 Cl12 Fe7.468 N54 O36 -","- C228 H168 Cl24 Fe14.936 N108 O72 -","2","0.25","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.71073","MoKα","","0.1102","0.0763","","","0.2237","0.2484","","","","","","1.054","","","","has coordinates,has disorder","239979","2020-10-21","18:00:00",""
"4350666","20.309","0.011","20.309","0.011","22.404","0.006","90","","90","","90","","9241","7","193","2","193","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C114 H84 Cl10 Fe7.41 N54 O28 -","- C114 H84 Cl10 Fe7.408 N54 O28 -","- C228 H168 Cl20 Fe14.816 N108 O56 -","2","0.25","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.71075","MoKα","","0.1143","0.0814","","","0.2318","0.2598","","","","","","1.034","","","","has coordinates","239979","2020-10-21","18:00:00",""
"4500192","14.314","0.003","14.314","0.003","6.2872","0.0012","90","","90","","90","","1288.2","0.5","291","2","291","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C24 H22 Co N8 O2 -","- C24 H22 Co N8 O2 -","- C48 H44 Co2 N16 O4 -","2","0.25","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71073","MoKα","","0.0506","0.0449","","","0.1093","0.1119","","","","","","1.017","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500876","13.873","0.0014","13.873","0.0014","13.812","0.003","90","","90","","90","","2658.3","0.7","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C9 H9.5 Cd0.75 Na1.5 O9.25 -","- C9 H9.5 Cd0.75 Na1.5 O9.25 -","- C72 H76 Cd6 Na12 O74 -","8","1","","Fu, Ying; Su, Jie; Zou, Zhibo; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua","Syntheses, Structures, and Gas Adsorption Properties of Two Novel Cadmium‒Sodium Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","8","3529","","10.1021/cg200443p","","","0.71073","MoKα","","0.0711","0.066","","","0.1961","0.2023","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503751","14.1589","0.0008","14.1589","0.0008","4.4486","0.0004","90","","90","","90","","891.83","0.11","293.15","","293.15","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C2 H4 Cu N5 O0 -","- C2 H4 Cu N5 -","- C16 H32 Cu8 N40 -","8","1","","Zhang, Rui-Bo; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Yao, Yuan-Gen","Novel Copper(I)− and Copper(II)−Guanazolate Complexes: Structure, Network Topologies, Photoluminescence, and Magnetic Properties","Crystal Growth & Design","2008","8","10","3735","","10.1021/cg800378c","","","0.71073","MoKα","","0.0288","0.0258","","","0.0764","0.0785","","","","","","1.057","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4504561","18.0542","0.0009","18.0542","0.0009","9.6549","0.0009","90","","90","","90","","3147.1","0.4","203","2","203","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C10 H27 I N4 -","- C10 H27 I N4 -","- C80 H216 I8 N32 -","8","1","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.0496","0.0328","","","0.0735","0.0825","","","","","","1.005","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4505015","23.6774","0.0004","23.6774","0.0004","9.617","0.0002","90","","90","","90","","5391.48","0.17","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C47 H58 Cl2 Cu2 N6 O18 -","- C47 H44 Cl2 Cu2 N6 O17.38 -","- C188 H176 Cl8 Cu8 N24 O69.52 -","4","0.5","","Madalan, Augustin M.; Kravtsov, Victor Ch.; Simonov, Yurii A.; Voronkova, Violeta; Korobchenko, Ludmila; Avarvari, Narcis; Andruh, Marius","A Unique Diamondoid Network Resulting from the Convolution of π−π Stacking and Lipophilic Interactions","Crystal Growth & Design","2005","5","1","45","","10.1021/cg049793h","","","0.71073","MoKα","","0.0891","0.0652","","","0.161","0.1732","","","","","","1.053","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4506148","26.5783","0.0019","26.5783","0.0019","6.7405","0.001","90","","90","","90","","4761.5","0.9","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","4,4,5,5-Tetramethyl-2-pyren-2-yl-[1,3,2]dioxaborolane : hexafluorobenzene molecular complex (1:1)","","- C28 H21 B F6 O2 -","- C28 H21 B F6 O2 -","- C224 H168 B8 F48 O16 -","8","1","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.1459","0.0802","","","0.1054","0.1216","","","","","","1.128","","","","has coordinates,has disorder","301842","2025-08-21","00:37:17",""
"4506207","30.163","0.005","30.163","0.005","6.574","0.005","90","","90","","90","","5981","5","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C26 H28 Ag F6 N10 O3 P -","- C26 H28 Ag F6 N10 O3 P -","- C208 H224 Ag8 F48 N80 O24 P8 -","8","1","","Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures ofN6-Methoxyadenine Imino Tautomer–Silver Complexes","Crystal Growth & Design","2012","12","6","3025","","10.1021/cg300231r","","","0.71073","MoKα","","0.1161","0.0704","","","0.1735","0.2075","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:17",""
"4506454","24.5039","0.0012","24.5039","0.0012","3.7849","0.0004","90","","90","","90","","2272.6","0.3","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","Pyrogallol 0.25 hydrate","","- C12 H13 O6.5 -","- C12 H13 O6.5 -","- C96 H104 O52 -","8","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0808","0.0788","","","0.1512","0.1522","","","","","","1.335","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507363","21.2737","0.0014","21.2737","0.0014","30.086","0.002","90","","90","","90","","13616","1.6","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C56 H44 Cu3 N6 O16 -","- C56 H44 Cu3 N6 O16 -","- C224 H176 Cu12 N24 O64 -","4","0.5","","Yun, Ruirui; Duan, Jingui; Bai, Junfeng; Li, Yizhi","Fusing High Symmetric Coordination Polyhedrons of Cu6(PIP)4, Cu12(PIP)8, and Cu12(PIP)24into an Unprecedented Porous MOF: Synthesis, Structure, and Its Remarkable CO2Selectivity","Crystal Growth & Design","2013","13","1","24","","10.1021/cg301577a","","","","","","0.136","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507370","12.3189","0.0001","12.3189","0.0001","8.2962","0.0001","90","","90","","90","","1258.99","0.02","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C20 H24 Cu F6 N8 Ti -","- C20 H24 Cu F6 N8 Ti -","- C40 H48 Cu2 F12 N16 Ti2 -","2","0.25","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0504","0.0353","","","0.1122","0.1235","","","","","","1.075","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4508227","24.6058","0.0006","24.6058","0.0006","3.8524","0.0003","90","","90","","90","","2332.4","0.2","298","2","298","2","","","","","","","","3","P 42/n :2","-P 4bc","86","pyrogallol_tetartohydrate","1,2,3-trihydroxybenzene","","- C24 H26 O13 -","- C24 H24 O13 -","- C96 H96 O52 -","4","0.5","","Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A.; Price, Sarah L.","Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate.","Crystal growth & design","2013","13","9","4071","4083","10.1021/cg4009015","powder diffraction","","1.54056","","","","","","","","","","","3.05","","","","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4515410","19.4614","0.0007","19.4614","0.0007","9.5493","0.0004","90","","90","","90","","3616.8","0.2","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C73 H48 N4 O20 Zn4 -","- C73 H48 N4 O20 Zn4 -","- C146 H96 N8 O40 Zn8 -","2","0.25","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Strategic Construction of Highly Stable Metal-Organic Frameworks Combining Both Semi-Rigid Tetrapodal and Rigid Ditopic Linkers: Selective and Ultrafast Sensing of 4-Nitroaniline in Water.","ACS applied materials & interfaces","2018","10","49","42406","42416","10.1021/acsami.8b15894","","","0.71073","MoKα","","0.0772","0.0616","","","0.1631","0.1802","","","","","","1.079","","","","has coordinates","225564","2020-10-21","18:00:00",""
"4515990","18.8225","0.0005","18.8225","0.0005","8.3226","0.0003","90","","90","","90","","2948.58","0.15","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C12 H21 I N2 Ni -","- C12 H21 I N2 Ni -","- C96 H168 I8 N16 Ni8 -","8","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0245","0.0189","","","0.0389","0.0411","","","","","","1.067","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4516280","13.106","0.003","13.106","0.003","13.634","0.006","90","","90","","90","","2341.9","1.3","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C16 H24 Cu N8 O6 V2 -","- C16 H24 Cu N8 O6 V2 -","- C64 H96 Cu4 N32 O24 V8 -","4","0.5","","Li, Jikun; Huang, Xianqiang; Yang, Song; Xu, Yanqing; Hu, Changwen","Controllable Synthesis, Characterization, and Catalytic Properties of Three Inorganic‒Organic Hybrid Copper Vanadates in the Highly Selective Oxidation of Sulfides and Alcohols","Crystal Growth & Design","2015","15","4","1907","","10.1021/acs.cgd.5b00086","","","0.71073","MoKα","","0.0596","0.0421","","","0.1193","0.1278","","","","","","1.055","","","","has coordinates","231220","2020-10-21","18:00:00",""
"5000298","25.2075","0.0019","25.2075","0.0019","13.4133","0.0014","90","","90","","90","","8523.1","1.3","113","2","113","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C124 H136 Cl24 Mn12 O48 P8 -","- C124 H136 Cl24.008 Mn12 O48 P8 -","- C248 H272 Cl48.016 Mn24 O96 P16 -","2","0.25","","Boskovic, Colette; Pink, Maren; Huffman, John C.; Hendrickson, David N.; Christou, George","Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn‒Teller Isomerism in [Mn~12~O~12~(O~2~CMe)~8~(O~2~PPh~2~)~8~(H~2~O)~4~]","Journal of the American Chemical Society","2001","123","40","9914","9915","10.1021/ja016341+","","","0.71073","MoKα","","0.1153","0.0666","","","0.1925","0.218","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"5000317","11.3542","0.0014","11.3542","0.0014","14.401","0.002","90","","90","","90","","1856.6","0.4","110.15","","110.15","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C28 H38 Cl4 N6 Ni4 O8 -","- C28 H38 Cl4 N6 Ni4 O8 -","- C56 H76 Cl8 N12 Ni8 O16 -","2","0.25","","","","","","","","","","","","","0.71073","MoKα","","0.0273","0.0217","","0.0675","0.0625","","","","1.241","1.254","1.254","","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"7000088","17.79734","0.00008","17.79734","0.00008","5.38859","0.00003","90","","90","","90","","1706.81","0.014","293","","293","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C2 H7 Na O6.5 P2 Sc -","- C2 H6 Na O6.25 P2 Sc -","- C16 H48 Na8 O50 P16 Sc8 -","8","1","","Miller, Stuart R.; Lear, Emily; Gonzalez, Jorge; Slawin, Alexandra M. Z.; Wright, Paul A.; Guillou, Nathalie; Férey, Gérard","Synthesis and structure of the framework scandium methylphosphonates ScF(H2O)CH3PO3 and NaSc(CH3PO3)2.0.5H2O.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3319","3325","10.1039/b504466a","powder diffraction","","0.6325","X-ray","","","","","","","","","7.7395","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000142","13.47","0.002","13.47","0.002","6.142","0.002","90","0.02","90","0.02","90","0.02","1114.4","0.4","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C4 H6 Cu N3 -","- C4 H6 Cu N3 -","- C32 H48 Cu8 N24 -","8","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3681","3685","10.1039/b509615d","","","0.71073","MoKα","","0.026","0.0229","","","0.0614","0.0624","","","","","","1.046","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000921","18.3911","0.0007","18.3911","0.0007","6.2785","0.0005","90","","90","","90","","2123.6","0.2","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C12 H24 Ag2 N6 S4 -","- C12 H24 Ag2 N6 S4 -","- C48 H96 Ag8 N24 S16 -","4","0.5","","Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.","1 : 1 complexes of silver(i) thiocyanate with (substituted) thiourea ligands","Dalton Transactions","2009","","14","2588","2598","10.1039/b819096h","","","0.71073","MoKα","","0.042","0.0336","","","0.086","0.0901","","","","","","1.133","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7002190","15.944","0.0003","15.944","0.0003","14.7921","0.0002","90","","90","","90","","3760.32","0.11","110","2","110","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C75.44 H46.88 Au4 Cl6.88 F16 P4 -","- C75.44 H46.88 Au4 Cl6.88 F16 P4 -","- C150.88 H93.76 Au8 Cl13.76 F32 P8 -","2","0.25","","Bennett, Martin A.; Bhargava, Suresh K.; Mirzadeh, Nedaossadat; Privér, Steven H.; Wagler, Jörg; Willis, Anthony C.","Synthesis and interconversions of digold(i), tetragold(i), digold(ii), gold(i)‒gold(iii) and digold(iii) complexes of fluorine-substituted aryl carbanions","Dalton Transactions","2009","","36","7537","7551","10.1039/b906769h","","","0.71073","MoKα","","0.0527","0.0318","","","0.0722","0.0774","","","","","","1.032","","","","has coordinates,has disorder","179719","2020-10-21","18:00:00",""
"7002491","13.4355","0.0019","13.4355","0.0019","10.724","0.002","90","","90","","90","","1935.8","0.5","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H8 Cu I N3 -","- C8 H4 Cu I N3 -","- C64 H32 Cu8 I8 N24 -","8","1","","Li, Ling-Ling; Li, Hong-Xi; Ren, Zhi-Gang; Liu, Dong; Chen, Yang; Zhang, Yong; Lang, Jian-Ping","Assembly of [CunIn]-based coordination polymers from cracking the 3D framework of bulk CuI via flexible N-heterocyclic ligands","Dalton Transactions","2009","","40","8567","8573","10.1039/b908697h","","","0.71073","MoKα","","0.1145","0.0909","","","0.2308","0.2428","","","","","","0.951","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002753","17.656","0.005","17.656","0.005","13.203","0.005","90","0.005","90","0.005","90","0.005","4116","2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C72 H84 Cl4 N16 Ni4 O24 -","- C72 H84 Cl4 N16 Ni4 O24 -","- C144 H168 Cl8 N32 Ni8 O48 -","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","","","0.71069","MoKα","","0.105","0.0589","","","0.1302","0.147","","","","","","1.029","","","","has coordinates","301846","2025-08-21","10:44:11",""
"7003269","34.6061","0.0008","34.6061","0.0008","9.4842","0.0005","90","","90","","90","","11358.1","0.7","100","1","100","1","","","","","","","","8","P 42/n :2","-P 4bc","86","tetra (4-(4-(3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenyl- thiophen-3-yl)-cyclopent-1-enyl)-5-methyl-thiophen-2-yl)-pyridine) bis(thiocyanto) iron (ii) complex","tetra [4-{4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenyl-thiophen-3-yl)- cyclopent-1-enyl]-5-methyl-thiophen-2-yl}-pyridine] bis(thiocyanto) iron (II) complex","","- C110 H80 Cl4 F24 Fe N6 O2 S10 -","- C110 H80 Cl4 F24 Fe N6 O2 S10 -","- C440 H320 Cl16 F96 Fe4 N24 O8 S40 -","4","0.5","","Sénéchal-David, K.; Zaman, N.; Walko, M.; Halza, E.; Rivière, E.; Guillot, R.; Feringa, B. L.; Boillot, M.-L.","Combining organic photochromism with inorganic paramagnetism—optical tuning of the iron(ii) electronic structure","Dalton Transactions","2008","","14","1932","1936","10.1039/b715017b","","x-ray","0.71073","MoKα","","0.096","0.0787","","","0.1918","0.2109","","","","","","1.05","","","","has coordinates","301846","2025-08-21","10:44:11",""
"7003434","20.58","0.003","20.58","0.003","22.97","0.004","90","","90","","90","","9729","3","113","2","113","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C163.4 H120 Cu8.5 F25.8 N54 O19.2 P3.6 S1.4 -","- C163.4 H114 Cu8.5 F25.8 N54 O19.2 P3.6 S1.4 -","- C326.8 H228 Cu17 F51.6 N108 O38.4 P7.2 S2.8 -","2","0.25","","Dawe, Louise N.; Abedin, Tareque S. M.; Thompson, Laurence K.","Ligand directed self-assembly of polymetallic [n ×n] grids: rational routes to large functional molecular subunits?","Dalton Transactions","2008","","13","1661","1675","10.1039/b716114j","","","0.7107","MoKα","","0.1232","0.1174","","","0.3616","0.3717","","","","","","1.683","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004085","15.602","0.001","15.602","0.001","15.997","0.0006","90","","90","","90","","3894","0.4","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C66 H58 K4 N14 Ni O27 -","- C66 H58 K4 N14 Ni O27 -","- C132 H116 K8 N28 Ni2 O54 -","2","0.25","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.; Ogden, Mark I.; Warriner, Colin N.","Structural diversity in the first metal complexes of 2,5-dicarboxamidopyrroles and 2,5-dicarbothioamidopyrroles","Dalton Transactions","2008","","31","4106","4112","10.1039/b802506a","","","0.71069","MoKα","","0.1374","0.0797","","","0.201","0.2307","","","","","","1.028","","","","has coordinates,has disorder","179744","2020-10-21","18:00:00",""
"7005963","19.4244","0.0018","19.4244","0.0018","6.8427","0.0013","90","","90","","90","","2581.8","0.6","213","2","213","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C10 H21 N3 O2 -","- C10 H21 N3 O2 -","- C80 H168 N24 O16 -","8","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3943","3951","10.1039/b707201e","","","0.71073","MoKα","","0.1289","0.0595","","","0.1561","0.182","","","","","","0.987","","","","has coordinates","301846","2025-08-21","10:44:13",""
"7008863","16.9828","0.0007","16.9828","0.0007","24.3051","0.0015","90","","90","","90","","7010","0.6","273","2","273","2","","","","","","","","5","P 42/n :2","-P 4bc","86","Compound 7, Yb - tris diamide","","","- C48 H96 N9 O18 Yb -","- C48 H96 N9 O18.04 Yb -","- C192 H384 N36 O72.16 Yb4 -","4","0.5","","Matloka, Kornelia; Gelis, Artem; Regalbuto, Monica; Vandegrift, George; Scott, Michael J.","Highly efficient binding of trivalent f-elements from acidic media with a C3-symmetric tripodal ligand containing diglycolamide arms","Dalton Transactions","2005","","23","3719","","10.1039/b513745d","","","0.71073","MoKα","","0.1076","0.0706","","","0.1737","0.1993","","","","","","1.111","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008930","23.0016","0.0003","23.0016","0.0003","8.1951","0.0002","90","","90","","90","","4335.81","0.13","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C16 H24 F7 I Ir P -","- C16 H24 F7 I Ir P -","- C128 H192 F56 I8 Ir8 P8 -","8","1","","Hughes, Russell P.; Smith, Jeremy M.; Liable-Sands, Louise M.; Concolino, Thomas E.; Lam, Kin-Chung; Incarvito, Christopher; Rheingold, Arnold L.","Syntheses and crystallographic studies of [Ir(η5-C5Me5)(L)(RF)I] (L = CO, PMe3; RF = CF2CF3, CF2CF2CF3, CF2C6F5, CF(CF3)2) complexes. Cone and solid angle steric parameters for perfluoroalkyl ligands","Journal of the Chemical Society, Dalton Transactions","2000","","6","873","","10.1039/a907057e","","","0.71073","MoKα","","0.0458","0.0378","","","0.1445","0.1571","","","","","","1.288","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7010532","11.888","0.001","11.888","0.001","10.221","0.001","90","","90","","90","","1444.5","0.2","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C24 H44 S4 Sn -","- C24 H44 S4 Sn -","- C48 H88 S8 Sn2 -","2","0.25","","Barone, Giampaolo; Hibbert, Thomas G.; Mahon, Mary F.; Molloy, Kieran C.; Parkin, Ivan P.; Price, Louise S.; Silaghi-Dumitrescu, Ioan","Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): implications for the CVD of tin sulfides","Journal of the Chemical Society, Dalton Transactions","2001","","23","3435","","10.1039/b010157p","","","0.71069","MoKα","","0.0615","0.0396","","","0.0852","0.094","","","","","","1.092","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7015746","17.217","0.004","17.217","0.004","11.169","0.003","90","","90","","90","","3310.8","1.4","153","2","153","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C40 H56 N24 Ni4 O24 -","- C40 H56 N24 Ni4 O24 -","- C80 H112 N48 Ni8 O48 -","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","","0.1113","0.1088","","","0.2611","0.2633","","","","","","1.253","","","","has coordinates","301847","2025-08-21","11:39:34",""
"7016931","21.307","0.004","21.307","0.004","7.959","0.002","90","","90","","90","","3613.3","1.3","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C12 H22 Cl N O5 Ru S3 -","- C12 H22 Cl N O5 Ru S3 -","- C96 H176 Cl8 N8 O40 Ru8 S24 -","8","1","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","0.71073","MoKα","","0.047","0.0287","","","0.0631","0.0668","","","","","","0.867","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7018036","22.0951","0.0016","22.0951","0.0016","13.0878","0.0011","90","","90","","90","","6389.4","0.8","200","2","200","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C138 H132 Cl10 Mn5 N24 O2 -","- C138 H132 Cl10 Mn5 N24 O2 -","- C276 H264 Cl20 Mn10 N48 O4 -","2","0.25","","Lin, Shao-Hsuan; Yang, Chen-I; Kuo, Ting-Shen; Chiang, Ming-Hsi; Hsu, Kung-Chung; Lu, Kuang-Lieh","Self-adaptation of manganese-chloride arrangement toward high spin Mn(5)(μ-Cl)(4) cluster-based metal-organic framework with S = (15)/(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1448","1450","10.1039/c2dt11760f","","","0.71073","MoKα","","0.0832","0.0447","","","0.0901","0.1024","","","","","","1.004","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018283","11.4137","0.0005","11.4137","0.0005","14.4242","0.0013","90","","90","","90","","1879.1","0.2","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","tetrakis(miu3-4-quinolinoxo)-tetrakis(methanol)-tetra-lithium","tetrakis(miu3-4-quinolinoxo)- tetrakis(methanol)-tetra-lithium","","- C40 H40 Li4 N4 O8 -","- C40 H40 Li4 N4 O8 -","- C80 H80 Li8 N8 O16 -","2","0.25","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.0457","0.0425","","","0.1094","0.1125","","","","","","1.055","","","","has coordinates","301847","2025-08-21","11:39:37",""
"7019486","23.7192","0.0014","23.7192","0.0014","7.1617","0.0008","90","","90","","90","","4029.2","0.6","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","[Cp2Co]2[{(OC)5V}2{1,4-diisocyanodurene}]","","","- C42 H32 Co2 N2 O10 V2 -","- C42 H32 Co2 N2 O10 V2 -","- C168 H128 Co8 N8 O40 V8 -","4","0.5","","Maher, Tiffany R.; Meyers, John J.; Spaeth, Andrew D.; Lemley, Krista R.; Barybin, Mikhail V.","Diisocyanoarene-linked pentacarbonylvanadate(I-) ions as building blocks in a supramolecular charge-transfer framework assembled through noncovalent π-π and contact ion interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7845","7848","10.1039/c2dt30488k","","","0.71073","MoKα","","0.0698","0.05","","","0.12","0.1287","","","","","","1.069","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019791","21.5609","0.0014","21.5609","0.0014","11.3677","0.0007","90","","90","","90","","5284.5","0.6","200","2","200","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C20 H110 Mo8 N8 O79 P8 Rb8 S8 -","- C20 H32 Mo8 N8 O79 P8 Rb8 S8 -","- C40 H64 Mo16 N16 O158 P16 Rb16 S16 -","2","0.25","","El Moll, Hani; Kemmegne-Mbouguen, Justin Claude; Haouas, Mohamed; Taulelle, Francis; Marrot, Jérôme; Cadot, Emmanuel; Mialane, Pierre; Floquet, Sébastien; Dolbecq, Anne","Syntheses, characterizations and properties of [Mo(2)O(2)S(2)]-based oxothiomolybdenum wheels incorporating bisphosphonate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9955","9963","10.1039/c2dt30534h","","","0.71073","MoKα","","0.0444","0.0409","","","0.0911","0.0929","","","","","","1.266","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019801","43.6051","0.0006","43.6051","0.0006","19.3474","0.0005","90","","90","","90","","36787.2","1.2","295","2","295","2","","","","","","","","9","P 42/n :2","-P 4bc","86","","","","- C462 H464 Cl61 Fe10 N65 O218 Pr20 S12 Sb60 -","- C462 H312 Cl61 Fe10 N65 O142 Pr20 S12 Sb60 -","- C924 H624 Cl122 Fe20 N130 O284 Pr40 S24 Sb120 -","2","0.25","","Hu, Bing; Zou, Guo-Dong; Feng, Mei-Ling; Huang, Xiao-Ying","Inorganic-organic hybrid compounds based on novel lanthanide-antimony oxohalide nanoclusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9879","9881","10.1039/c2dt30563a","","","0.71073","MoKα","","0.1607","0.0754","","","0.1556","0.1973","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019919","12.0094","0.0017","12.0094","0.0017","32.467","0.007","90","","90","","90","","4682.6","1.4","173","2","173","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C49 H49 F6 N8 O2 P Ru -","- C49 H49 F6 N8 O2 P Ru -","- C196 H196 F24 N32 O8 P4 Ru4 -","4","0.5","","Zhang, You-Ming; Shao, Jiang-Yang; Yao, Chang-Jiang; Zhong, Yu-Wu","Cyclometalated ruthenium(ii) complexes with a bis-carbene CCC-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9280","9282","10.1039/c2dt31015e","","","0.71073","MoKα","","0.119","0.1079","","","0.2735","0.282","","","","","","1.142","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7020290","19.2748","0.0005","19.2748","0.0005","13.3673","0.0006","90","","90","","90","","4966.2","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H60 Cl4 N6 Pd2 -","- C48 H60 Cl4 N6 Pd2 -","- C192 H240 Cl16 N24 Pd8 -","4","0.5","","Yang, Jin; Wang, Lei","Synthesis and characterization of dinuclear NHC-palladium complexes and their applications in the Hiyama reactions of aryltrialkyoxysilanes with aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12031","12037","10.1039/c2dt31174g","","","0.71073","MoKα","","0.0898","0.0504","","","0.0967","0.111","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021078","38.4762","0.0007","38.4762","0.0007","11.353","0.0003","90","","90","","90","","16807.2","0.6","200","2","200","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C18 H97 Mo12 N2 O54.5 S12 -","- C18 H32 Mo12 N2 O54.5 S12 -","- C144 H256 Mo96 N16 O436 S96 -","8","1","","Hijazi, Akram; Kemmegne-Mbouguen, Justin Claude; Floquet, Sébastien; Marrot, Jérôme; Fize, Jennifer; Artero, Vincent; David, Olivier; Magnier, Emmanuel; Pégot, Bruce; Cadot, Emmanuel","Tuning the electrocatalytic hydrogen evolution reaction promoted by [Mo2O2S2]-based molybdenum cycles in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4848","4858","10.1039/c2dt32447d","","","0.71073","MoKα","","0.051","0.0491","","","0.1201","0.1259","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024059","19.192","0.004","19.192","0.004","14.169","0.003","90","","90","","90","","5218.9","1.9","170","2","170","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C18 H21 Co3 O6 S3 Si -","- C18 H21 Co3 O6 S3 Si -","- C144 H168 Co24 O48 S24 Si8 -","8","1","","Bruce, Michael I.; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.; Fox, Mark A.; Low, Paul J.","Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1222","1234","10.1039/b909708b","","","0.71073","MoKα","","0.062","0.0504","","","0.113","0.1164","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025122","35.107","0.005","35.107","0.005","14.585","0.003","90","","90","","90","","17976","5","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H56 Cl4 Co4 N16 O20 -","- C88 H56 Cl4 Co4 N16 O20 -","- C704 H448 Cl32 Co32 N128 O160 -","8","1","","Madhu, Vedichi; Ekambaram, Balaraman; Shimon, Linda J. W.; Diskin, Yael; Leitus, Gregory; Neumann, Ronny","Structural diversity in manganese, iron and cobalt complexes of the ditopic 1,2-bis(2,2'-bipyridyl-6-yl)ethyne ligand and observation of epoxidation and catalase activity of manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7266","7275","10.1039/b925129d","","","0.71073","MoKα","","0.1686","0.0971","","","0.1641","0.1774","","","","","","1.273","","","","has coordinates","301848","2025-08-21","12:23:46",""
"7026061","26.7119","0.0003","26.7119","0.0003","24.2013","0.0005","90","","90","","90","","17268.2","0.5","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C120 H132 Cl6 Mn6 N24 O36 -","- C120 H132 Cl6 Mn6 N24 O36 -","- C480 H528 Cl24 Mn24 N96 O144 -","4","0.5","","Berggren, Gustav; Huang, Ping; Eriksson, Lars; Styring, Stenbjörn; Anderlund, Magnus F.; Thapper, Anders","Synthesis and characterisation of low valent Mn-complexes as models for Mn-catalases.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11035","11044","10.1039/c0dt00165a","","","0.90769","synchrotron","","0.1892","0.1532","","","0.3973","0.4092","","","","","","3.376","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7028698","23.6577","0.0012","23.6577","0.0012","5.8825","0.0004","90","","90","","90","","3292.4","0.3","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C10.46 H9.85 Cu0.31 Fe0.62 N0.62 O0.62 S1.23 -","- C10.4615 H9.84615 Cu0.307692 Fe0.615385 N0.615385 O0.615385 S1.23077 -","- C136 H128 Cu4 Fe8 N8 O8 S16 -","13","1.625","","Singh, Vikram; Chauhan, Ratna; Gupta, Ajit N.; Kumar, Vinod; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai","Photosensitizing activity of ferrocenyl bearing Ni(ii) and Cu(ii) dithiocarbamates in dye sensitized TiO2 solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4752","4761","10.1039/c3dt52142g","","","0.71073","MoKα","","0.2254","0.0813","","","0.0876","0.1256","","","","","","0.968","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028700","23.414","0.0011","23.414","0.005","5.832","0.004","90","0.004","90","0.004","90","0.004","3197","2","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C34 H32 Fe2 N2 Ni O2 S4 -","- C34 H32 Fe2 N2 Ni O2 S4 -","- C136 H128 Fe8 N8 Ni4 O8 S16 -","4","0.5","","Singh, Vikram; Chauhan, Ratna; Gupta, Ajit N.; Kumar, Vinod; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai","Photosensitizing activity of ferrocenyl bearing Ni(ii) and Cu(ii) dithiocarbamates in dye sensitized TiO2 solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4752","4761","10.1039/c3dt52142g","","","0.71073","MoKα","","0.1544","0.0731","","","0.1675","0.2134","","","","","","1.024","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7029524","23.5396","0.0004","23.5396","0.0004","9.9876","0.0002","90","","90","","90","","5534.26","0.17","100.4","0.2","100.4","0.2","","","","","","","","4","P 42/n :2","-P 4bc","86","TC1'","","","- C37 H30 N4 O2 -","- C37 H30 N4 O2 -","- C296 H240 N32 O16 -","8","1","","Chatterjee, Tamal; Ghosh, Avijit; Madhu, Sheri; Ravikanth, Mangalampalli","Stable core-modified calixsmaragdyrins: synthesis, structure and specific sensing of the hydrogen sulfate ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6050","6058","10.1039/c3dt53134a","","","0.7107","MoKα","","0.0605","0.0494","","","0.117","0.1233","","","","","","1.062","","","","has coordinates","288643","2024-01-03","14:02:40",""
"7030272","16.473","0.005","16.473","0.005","7.699","0.003","90","","90","","90","","2089.2","1.2","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","bis(μ~2~-Fluoro)-hexafluoro-tetrakis(dimethylsulfoxide)-di-zirconium(IV)","","- C8 H24 F8 O4 S4 Zr2 -","- C8 H24 F8 O4 S4 Zr2 -","- C32 H96 F32 O16 S16 Zr8 -","4","0.5","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.0253","0.0224","","","0.0526","0.0538","","","","","","1.045","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7031833","23.337","0.003","23.337","0.003","14.2514","0.0018","90","","90","","90","","7761.5","1.7","100","2","100","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C153 H120 Au8 B2 F8 Ni6 O8 P8 -","- C153 H120 Au8 B2 F8 Ni6 O8 P8 -","- C306 H240 Au16 B4 F16 Ni12 O16 P16 -","2","0.25","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Peraurated nickel carbide carbonyl clusters: the cationic [Ni6(C)(CO)8(AuPPh3)8](2+) monocarbide and the [Ni12(C)(C2)(CO)17(AuPPh3)3](-) anion containing one carbide and one acetylide unit.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13471","13475","10.1039/c4dt01849d","","","0.71073","MoKα","","0.1537","0.0619","","","0.1351","0.1726","","","","","","1.005","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7034145","20.917","0.003","20.917","0.003","11.136","0.002","90","","90","","90","","4872.2","1.3","113","2","113","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C46 H46 Cl4 N2 Ni2 S8 -","- C46 H46 Cl4 N2 Ni2 S8 -","- C184 H184 Cl16 N8 Ni8 S32 -","4","0.5","","Song, Li-Cheng; Cao, Meng; Wang, Yong-Xiang","Novel reactions of homodinuclear Ni2 complexes [Ni(RNPyS4)]2 with Fe3(CO)12 to give heterotrinuclear NiFe2 and mononuclear Fe complexes relevant to [NiFe]- and [Fe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6797","6808","10.1039/c5dt00067j","","","0.71073","MoKα","","0.064","0.0584","","","0.1486","0.1535","","","","","","1.101","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7036431","24.053","0.004","24.053","0.004","9.307","0.003","90","","90","","90","","5385","2","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C92 H72 Mn8 N44 O30 S4 -","- C92 H72 Mn8 N44 O30 S4 -","- C184 H144 Mn16 N88 O60 S8 -","2","0.25","","Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting","Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17639","17651","10.1039/c5dt03026a","","","0.71073","MoKα","","0.0731","0.0485","","","0.1226","0.1379","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7038027","23.8568","0.0005","23.8568","0.0005","13.3382","0.0003","90","","90","","90","","7591.4","0.3","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C72 H77 B4 F16 Fe2 N15 O4 -","- C72 H77 B4 F16 Fe2 N15 O4 -","- C288 H308 B16 F64 Fe8 N60 O16 -","4","0.5","","Martínez-Ferraté, Oriol; López-Valbuena, Josep M; Belmonte, Marta Martínez; White, Andrew J. P.; Benet-Buchholz, Jordi; Britovsek, George J. P.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Novel iminopyridine derivatives: ligands for preparation of Fe(ii) and Cu(ii) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3564","3576","10.1039/c5dt04358a","","","0.71073","MoKα","","0.1123","0.0713","","","0.2027","0.2464","","","","","","1.03","","","","has coordinates,has disorder","177832","2020-10-21","18:00:00",""
"7038863","9.2261","0.0011","9.2261","0.0011","12.741","0.003","90","","90","","90","","1084.5","0.3","200","2","200","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C20 H16 N4 O4 S4 Sn -","- C20 H16 N4 O4 S4 Sn -","- C40 H32 N8 O8 S8 Sn2 -","2","0.25","","Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","O,S-Heterocyclic stannylenes: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7200","7204","10.1039/c6dt01013j","","","0.71073","MoKα","","0.0777","0.0665","","","0.1297","0.1345","","","","","","1.282","","","","has coordinates","182757","2020-10-21","18:00:00",""
"7039661","17.002","0.0003","17.002","0.0003","16.694","0.0003","90","","90","","90","","4825.7","0.15","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","Compound X","","","- C92 H66 Cu4 Mo N26 O12 -","- C92 H66 Cu4 Mo N26 O12 -","- C184 H132 Cu8 Mo2 N52 O24 -","2","0.25","","Korzeniak, Tomasz; Pinkowicz, Dawid; Nitek, Wojciech; Dańko, Tomasz; Pełka, Robert; Sieklucka, Barbara","Photoswitchable CuMo(IV) and CuMo(IV) cyanido-bridged molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16585","16595","10.1039/c6dt01957a","","","0.71073","MoKα","","0.0865","0.0525","","","0.1236","0.1461","","","","26.113","26.113","1.067","","","","has coordinates","188224","2020-10-21","18:00:00",""
"7040048","15.9305","0.0003","15.9305","0.0003","17.083","0.0008","90","","90","","90","","4335.3","0.2","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","4-OTf","[{(AuLF)2(μ-OH)}2](OTf)2","","- C74 H48 Au4 F18 O8 P4 S2 -","- C74 H48 Au4 F18 O8 P4 S2 -","- C148 H96 Au8 F36 O16 P8 S4 -","2","0.25","","Nagashima, Eri; Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji","The effect of counteranions on the molecular structures of phosphanegold(i) cluster cations formed by polyoxometalate (POM)-mediated clusterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13565","13575","10.1039/c6dt02670b","","","0.71073","MoKα","","0.0647","0.0522","","","0.1505","0.1586","","","","","","1.111","","","","has coordinates","301850","2025-08-21","14:32:46",""
"7041778","21.7113","0.0011","21.7113","0.0011","7.4439","0.0005","90","","90","","90","","3508.9","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","C92 H52 N20 Mn2 P","","","- C92 H52 Mn2 N20 P -","- C92 H52 Mn2 N20 P -","- C184 H104 Mn4 N40 P2 -","2","0.25","","Matsuda, Masaki; Yoshida, Gosuke; Yamaura, Jun-Ichi; Inabe, Tamotsu; Tajima, Hiroyuki","The magnetoresistance effect in a conducting molecular crystal consisting of dicyano(phthalocyaninato)manganese(iii).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1892","1897","10.1039/c6dt04481f","","","0.71069","MoKα","","0.0848","0.0448","","","0.0705","0.0776","","","","","","0.702","","","","has coordinates","193806","2020-10-21","18:00:00",""
"7042537","23.714","0.003","23.714","0.003","16.575","0.003","90","","90","","90","","9321","2","123","2","123","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C124 H164 Ce4 N20 O80 Si W12 -","- C124 H164 Ce4 N20 O80 Si W12 -","- C248 H328 Ce8 N40 O160 Si2 W24 -","2","0.25","","Zhang, Hai-Long; Liao, Jian-Zhen; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A novel naphthalenediimide-based lanthanide-organic framework with polyoxometalate templates exhibiting reversible photochromism.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4898","4901","10.1039/c7dt00631d","","","0.71073","MoKα","","0.0897","0.0761","","","0.1907","0.2001","","","","","","1.055","","","","has coordinates","196472","2020-10-21","18:00:00",""
"7044031","21.595","0.004","21.595","0.004","7.5707","0.0013","90","","90","","90","","3530.6","1.1","298","","298","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C90 H52 Br2 Fe2 N18 P -","- C90 H52 Br2 Fe2 N18 P -","- C180 H104 Br4 Fe4 N36 P2 -","2","0.25","","Matsuda, Masaki; Iwamura, Sayaka; Hamada, Yumi; Ohishi, Hiroko; Nishi, Miki; Nogami, Yoshio; Ikeda, Mitsuo; Kanda, Akinori; Funasako, Yusuke; Mochida, Tomoyuki; Nakao, Akiko; Hanasaki, Noriaki","A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines","Dalton Trans.","2017","","","","","10.1039/C7DT02605F","","","0.71073","MoKα","","0.0593","0.0536","","","0.1489","0.1525","","","","","","1.108","","","","has coordinates,has disorder","199920","2020-10-21","18:00:00",""
"7050124","13.929","0.0003","13.929","0.0003","14.231","0.0005","90","0.001","90","0.001","90","0.002","2761.06","0.13","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C16 H15 Co0.5 N O4 -","- C16 H15 Co0.5 N O4 -","- C128 H120 Co4 N8 O32 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.0787","0.0439","","","0.0924","0.106","","","","","","1.025","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050125","13.925","0.002","13.925","0.002","14.181","0.003","90","","90","","90","","2749.8","0.8","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C16 H15 N Ni0.5 O4 -","- C16 H15 N Ni0.5 O4 -","- C128 H120 N8 Ni4 O32 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.1044","0.0746","","","0.1695","0.1863","","","","","","1.063","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050126","13.925","0.002","13.925","0.002","14.181","0.003","90","","90","","90","","2749.8","0.8","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C15 H15 N O3 Zn0.5 -","- C15 H15 N O3 Zn0.5 -","- C120 H120 N8 O24 Zn4 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.0756","0.0382","","","0.0708","0.0818","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:32",""
"7050564","13.0678","0.0009","13.0678","0.0009","25.914","0.001","90","","90","","90","","4425.3","0.5","173","","173","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C60 H64 Cl10 Co2 N8 O23 -","- C59 H48 Cl10 Co N8 O22.5 -","- C118 H96 Cl20 Co2 N16 O45 -","2","0.25","","Grosshans, Philippe; Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie","Gradual increase in the dimensionality of cobalt and mercury coordination networks based on conformation of tetradentate tectons","New Journal of Chemistry","2003","27","5","793","","10.1039/b301351k","","","0.71073","Mo-Kα","","0.186","0.143","","0.323","","0.173","","","1.726","","","1.041","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051689","17.879","0.008","17.879","0.008","17.607","0.008","90","","90","","90","","5628","4","150","1","150","1","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C43 H18 Cu2 F30 N4 O8 S2 -","- C43 H18 Cu2 F30 N4 O8 S2 -","- C172 H72 Cu8 F120 N16 O32 S8 -","4","0.5","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Dorlet, Pierre; Métivier, Rémi; Nakatani, Keitaro","Photo-controlled release and uptake of Cu(hfac)2 in solution for a binuclear copper complex with a photochromic dithiazolylethene bridging ligand","New Journal of Chemistry","2009","33","6","1380","","10.1039/b901201j","","x-ray","0.71073","MoKα","","0.0657","0.1034","","","0.1","0.0729","","","","","","1.222","","","","has coordinates","180070","2020-10-21","18:00:00",""
"7051692","17.681","0.005","17.681","0.005","17.726","0.005","90","","90","","90","","5541","3","100","1","100","1","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C43 H18 F30 N4 O8 S2 Zn2 -","- C43 H18 F30 N4 O8 S2 Zn2 -","- C172 H72 F120 N16 O32 S8 Zn8 -","4","0.5","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Dorlet, Pierre; Métivier, Rémi; Nakatani, Keitaro","Photo-controlled release and uptake of Cu(hfac)2 in solution for a binuclear copper complex with a photochromic dithiazolylethene bridging ligand","New Journal of Chemistry","2009","33","6","1380","","10.1039/b901201j","","x-ray","0.71069","MoKα","","0.0771","0.0542","","","0.1553","0.1767","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051693","17.8094","0.0003","17.8094","0.0003","18.0024","0.0006","90","","90","","90","","5709.9","0.2","273","2","273","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C43 H18 F30 N4 Ni2 O8 S2 -","- C43 H18 F30 N4 Ni2 O8 S2 -","- C172 H72 F120 N16 Ni8 O32 S8 -","4","0.5","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Dorlet, Pierre; Métivier, Rémi; Nakatani, Keitaro","Photo-controlled release and uptake of Cu(hfac)2 in solution for a binuclear copper complex with a photochromic dithiazolylethene bridging ligand","New Journal of Chemistry","2009","33","6","1380","","10.1039/b901201j","","x-ray","0.71073","MoKα","","0.1101","0.0772","","","0.2257","0.2661","","","","","","1.045","","","","has coordinates","180070","2020-10-21","18:00:00",""
"7051694","17.718","0.005","17.718","0.005","17.836","0.005","90","","90","","90","","5599","3","150","2","150","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C43 H18 Co2 F30 N4 O8 S2 -","- C43 H18 Co2 F30 N4 O8 S2 -","- C172 H72 Co8 F120 N16 O32 S8 -","4","0.5","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Dorlet, Pierre; Métivier, Rémi; Nakatani, Keitaro","Photo-controlled release and uptake of Cu(hfac)2 in solution for a binuclear copper complex with a photochromic dithiazolylethene bridging ligand","New Journal of Chemistry","2009","33","6","1380","","10.1039/b901201j","","x-ray","0.71069","MoKα","","0.1176","0.0734","","","0.1856","0.2268","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051892","12.5767","0.0018","12.5767","0.0018","23.27","0.005","90","","90","","90","","3680.7","1.1","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C37 H56 Ga I2 N3 -","- C37 H56 Ga I2 N3 -","- C148 H224 Ga4 I8 N12 -","4","0.5","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.","Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere","New Journal of Chemistry","2008","32","5","835","","10.1039/b718799h","","","0.71073","MoKα","","0.1085","0.067","","","0.1095","0.1216","","","","","","1.034","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7053078","13.6277","0.0003","13.6277","0.0003","21.4357","0.0003","90","","90","","90","","3980.91","0.14","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C21 H18 Co O9 -","- C21 H18 Co O9 -","- C168 H144 Co8 O72 -","8","1","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.1682","0.0748","","","0.1693","0.2138","","","","","","0.974","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053454","26.9889","0.0011","26.9889","0.0011","11.5798","0.0003","90","","90","","90","","8434.7","0.5","173","2","173","2","","","","","","","synthesis as described","5","P 42/n :2","-P 4bc","86","","","","- C37.5 H65 Ca N3 Si2 -","- C37.5 H65 Ca N3 Si2 -","- C300 H520 Ca8 N24 Si16 -","8","1","","Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Mahon, Mary F.","Synthesis of β-diketiminato calcium silylamides and their reactions with triethylaluminium","New Journal of Chemistry","2010","34","8","1572","","10.1039/c0nj00042f","","x-ray","0.71073","MoKα","","0.1658","0.0807","","","0.1715","0.2088","","","","","","1.028","","","","has coordinates,has disorder","180088","2020-10-21","18:00:00",""
"7053488","14.901","0.0008","14.901","0.0008","16.825","0.002","90","","90","","90","","3735.8","0.5","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","04227","","","- C26 H58 O2 Si4 Sr -","- C26 H58 O2 Si4 Sr -","- C104 H232 O8 Si16 Sr4 -","4","0.5","","Quisenberry, Keith T.; White, Rosemary E.; Hanusa, Timothy P.; Brennessel, William W.","Allyl complexes of the heavy alkaline-earth metals: molecular structure and catalytic behavior","New Journal of Chemistry","2010","34","8","1579","","10.1039/c0nj00084a","","","0.71073","MoKα","","0.066","0.0419","","","0.1067","0.1243","","","","","","1.031","","","","has coordinates,has disorder","180088","2020-10-21","18:00:00",""
"7054578","13.2452","0.00012","13.2452","0.00012","14.9787","0.0002","90","","90","","90","","2627.79","0.05","170","","170","","","","101","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H58 N6 O12 S4 -","- C48 H58 N6 O12 S4 -","- C96 H116 N12 O24 S8 -","2","0.25","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0851","0.08","","0.2601","0.2505","0.2601","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7060557","19.1223","0.0003","19.1223","0.0003","12.5887","0.0003","90","","90","","90","","4603.21","0.15","173","2","173","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C45 H44 Cu4 N4 O19 -","- C45 H44 Cu4 N4 O19 -","- C180 H176 Cu16 N16 O76 -","4","0.5","","Deng, Yun-Hu; Li, Ruo-Yu; Zhang, Jin-Qiang; Wang, Yue-Fei; Li, Jian-Ting; Guo, Wen-Ting; Dong, Wei-Kui","A novel turn-on fluorogenic aldehyde-appended salamo-like copper(ii) complex probe for the simultaneous detection of S2O32− and GSH","New Journal of Chemistry","2021","45","19","8597","8607","10.1039/D1NJ01445E","","","0.71073","MoKα","","0.0513","0.0429","","","0.1341","0.1419","","","","","","1.055","","","","has coordinates","266135","2021-06-05","19:20:02",""
"7061909","18.7318","0.0005","18.7318","0.0005","5.1839","0.0002","90","","90","","90","","1818.93","0.1","300","1","300","1","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C14 H14 Cl2 N4 O6 -","- C14 H14 Cl2 N4 O6.02 -","- C56 H56 Cl8 N16 O24.08 -","4","0.5","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0481","0.0389","","","0.1095","0.1162","","","","","","1.055","","","","has coordinates,has disorder","279014","2022-11-07","05:40:53",""
"7061911","18.4161","0.0007","18.4161","0.0007","5.545","0.0002","90","","90","","90","","1880.6","0.12","298.8","0.5","298.8","0.5","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C7 H7 Br N2 O3 -","- C7 H7 Br N2 O3 -","- C56 H56 Br8 N16 O24 -","8","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.057","0.0416","","","0.0992","0.1075","","","","","","1.047","","","","has coordinates","279014","2022-11-07","05:41:05",""
"7062973","17.8062","0.0004","17.8062","0.0004","27.5424","0.0008","90","","90","","90","","8732.6","0.4","373","0.1","373.15","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C132.326 H160.2 Ca4 N21.442 Ni8 O84.1 -","- C132.32 H128.2 Ca4 N21.44 Ni8 O68.1 -","- C264.64 H256.4 Ca8 N42.88 Ni16 O136.2 -","2","0.25","","Kajal,; Vinayak, Richa; Gómez-García, Carlos J.; Benmansour, Samia; Nayek, Hari Pada","Quadruple bridged-carbonate supported dodecanuclear [Ni8Ca4] coordination cluster","New Journal of Chemistry","2024","48","7","3239","3246","10.1039/D3NJ05217F","","","0.71073","MoKα","","0.0941","0.0587","","","0.1315","0.1512","","","","","","1.0586","","","","has coordinates,has disorder","290243","2024-03-04","20:37:33",""
"7063908","16.5001","0.0006","16.5001","0.0006","15.1817","0.0006","90","","90","","90","","4133.3","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Bromo-(diphenyl(ethyl)phosphine)-(cycloocta-1,5-diene)-rhodium","","- C22 H27 Br P Rh -","- C22 H27 Br P Rh -","- C176 H216 Br8 P8 Rh8 -","8","1","","Nichols, Brian R.; Petersen, Jeffrey L.; Dolinar, Brian S.; Popp, Brian V.","Primary and secondary coordination sphere Lewis acid interactions in β-phosphinoethylborane-ligated rhodium and iridium complexes","New Journal of Chemistry","2025","49","32","14073","14081","10.1039/D5NJ01429H","","","0.71073","MoKα","","0.0458","0.0345","","","0.0801","0.0906","","","","","","1.034","","","","has coordinates","302716","2025-10-06","10:11:24",""
"7063931","10.9579","0.0002","10.9579","0.0002","15.2557","0.0003","90","","90","","90","","1831.84","0.06","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","","Bai, Jinku; Wang, Shuo; Wang, Xin-Yue; Shen, Yun-Jia; Sun, Xin; Li, Zhi-Ao; Chen, Xu-Lang; Gong, Han-Yuan","Quantitative substituent effects in nitrogen-containing polycyclic aromatic hydrocarbons: implications for metal ion complexation","New Journal of Chemistry","2025","49","32","13699","13704","10.1039/D5NJ01550B","","","1.54184","CuKα","","0.0577","0.0503","","","0.1301","0.1353","","","","","","1.033","","","","has coordinates,has disorder","302718","2025-10-06","10:11:54",""
"7064067","18.434","0.003","18.434","0.003","9.03","0.0013","90","","90","","90","","3068.5","0.8","150","2","150.15","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","Chao, Yu-Chieh; Hung, Yu-Hsuan; Su, Yu-Chia; Ko, Bao-Tsan; Cheng, Ban-Jing; Hu, Ching-Han; Ting, Chien-Ling; Liu, Guan-Lin; Dehury, Budheswar; Huang, Jui-Hsien; Datta, Amitabha","Synthesis, structure and DFT calculation of bi- and tridentate ketiminate ligand-assisted aluminum complexes: potential catalyst for styrene oxide–CO2 cycloaddition reaction","New Journal of Chemistry","2025","49","44","19269","19280","10.1039/D5NJ03282B","","","0.71073","MoKα","","0.1711","0.1236","","","0.2932","0.3372","","","","","","1.092","","","","has coordinates,has disorder","303854","2025-11-29","21:38:34",""
"7101376","27.0406","0.0003","27.0406","0.0003","18.7658","0.0003","90","","90","","90","","13721.4","0.3","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C182 H238 Mn12 N24 O51 -","- C181.52 H216 Mn12 N24 O50.54 -","- C363.04 H432 Mn24 N48 O101.08 -","2","0.25","","Myoung Soo Lah.; Rohith P. John; Kyungjin Lee.; Dohyun Moon.; Jaejoon Park.","Encapsulation of a guest molecule in a strained form: An extended 36-membered dodecanuclear manganese metallamacrocycle that accommodates a cyclooctane in the S4 symmetry conformation","Chemical Communications","2006","","35","","","10.1039/b607675k","","","0.82657","synchrotron","","0.0598","0.0548","","","0.1682","0.1777","","","","","","1.091","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101377","27.189","0.003","27.189","0.003","18.904","0.004","90","","90","","90","","13974","3","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C186 H240 Mn12 N24 O48 -","- C186 H224 Mn12 N24 O48 -","- C372 H448 Mn24 N48 O96 -","2","0.25","","Myoung Soo Lah.; Rohith P. John; Kyungjin Lee.; Dohyun Moon.; Jaejoon Park.","Encapsulation of a guest molecule in a strained form: An extended 36-membered dodecanuclear manganese metallamacrocycle that accommodates a cyclooctane in the S4 symmetry conformation","Chemical Communications","2006","","35","","","10.1039/b607675k","","","0.71073","MoKα","","0.1068","0.0853","","","0.1957","0.2049","","","","","","1.057","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101378","27.073","0.002","27.073","0.002","18.909","0.003","90","","90","","90","","13860","3","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C188 H244 Mn12 N24 O48 -","- C188 H224 Mn12 N24 O48 -","- C376 H448 Mn24 N48 O96 -","2","0.25","","Myoung Soo Lah.; Rohith P. John; Kyungjin Lee.; Dohyun Moon.; Jaejoon Park.","Encapsulation of a guest molecule in a strained form: An extended 36-membered dodecanuclear manganese metallamacrocycle that accommodates a cyclooctane in the S4 symmetry conformation","Chemical Communications","2006","","35","","","10.1039/b607675k","","","0.71073","MoKα","","0.1174","0.0948","","","0.2394","0.2515","","","","","","1.061","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101590","26.5422","0.0011","26.5422","0.0011","7.1719","0.0003","90","","90","","90","","5052.5","0.4","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C27 H32 N2 O5 Pd -","- C27 H32 N2 O5 Pd -","- C216 H256 N16 O40 Pd8 -","8","1","","Wang, Yueh-Ju; Song, Jian-Hong; Lin, Yu-Siang; Lin, Ching; Sheu, Hwo-Shuenn; Lee, Gene-Hsiang; Lai, Chung K.","Supramolecular metallomesogens. Self-organization of an H-bonded tetrameric assembly into columnar phase from single component","Chemical Communications (Cambridge, United Kingdom)","2006","","47","4912","4914","10.1039/b612374k","","","0.71073","MoKα","","0.1254","0.0477","","","0.1268","0.1657","","","","","","1.006","","","","has coordinates,has disorder","301853","2025-08-21","21:49:54",""
"7101641","17.236","0.0004","17.236","0.0004","24.429","0.0004","90","","90","","90","","7257.4","0.3","173","2","173","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C102 H114 B8 Co4 F32 N46 O20 -","- C102 H114 B8 Co4 F32 N46 O20 -","- C204 H228 B16 Co8 F64 N92 O40 -","2","0.25","","Ramírez, Juan; Stadler, Adrian-Mihail; Kyritsakas, Nathalie; Lehn, Jean-Marie","Solvent-modulated reversible conversion of a [2 x 2]-grid into a pincer-like complex.","Chemical communications (Cambridge, England)","2007","","3","237","239","10.1039/b612222a","","","0.71073","MoKα","","0.178","0.1225","","","0.3639","0.4049","","","","","","1.158","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101806","24.505","0.002","24.505","0.002","36.17","0.003","90","","90","","90","","21721","3","93.1","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C208 H282 N O61 Tb9 -","- C208 H272 N0.5 O59.5 Tb9 -","- C832 H1088 N2 O238 Tb36 -","4","0.5","","Manseki, Kazuhiro; Yanagida, Shozo","Effective and efficient photoluminescence of salicylate-ligating terbium(III) clusters stabilized by multiple phenyl-phenyl interactions.","Chemical communications (Cambridge, England)","2007","","12","1242","1244","10.1039/b616387d","","","0.71075","MoKα","","","0.0446","","","","0.1241","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7104391","13.0057","0.0018","13.0057","0.0018","25.768","0.005","90","","90","","90","","4358.6","1.2","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C36 H34 Ag5 N7 O17 S2 -","- C36 H34 Ag5 N7 O17 S2 -","- C144 H136 Ag20 N28 O68 S8 -","4","0.5","","Kozlova, Marina N; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Solovieva, Svetlana E; Antipin, Igor S; Konovalov, Alexander I","Molecular tectonics: 3-D organisation of decanuclear silver nanoclusters.","Chemical communications (Cambridge, England)","2009","34","18","2514","2516","10.1039/b902267h","","","0.71073","MoKα","","0.0704","0.063","","","0.1729","0.1799","","","","","","1.021","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104616","20.0565","0.0003","20.0565","0.0003","15.0869","0.0005","90","","90","","90","","6068.9","0.2","153","2","153","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C80 H200 Ga4 Li4 N8 O12 Si16 -","- C80 H200 Ga4 Li4 N8 O12 Si16 -","- C160 H400 Ga8 Li8 N16 O24 Si32 -","2","0.25","","Uhl, Werner; Halvagar, Mohammad Reza; Layh, Marcus","A heterocyclic organogallium peroxide with two dialkylgallium groups bridged by a peroxide dianion.","Chemical communications (Cambridge, England)","2009","34","28","4269","4271","10.1039/b906392g","","","1.54184","CuKα","","0.0518","0.0463","","","0.1261","0.1334","","","","","","1.062","","","","has coordinates","301853","2025-08-21","21:49:57",""
"7104877","29.6517","0.0012","29.6517","0.0012","17.6036","0.0013","90","","90","","90","","15477.5","1.4","118","2","118","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C138 H116 Cl3 Mn12 N37 O40 -","- C134 H102 Cl3 Mn12 N36 O36 -","- C536 H408 Cl12 Mn48 N144 O144 -","4","0.5","","Dendrinou-Samara, Catherine; Zaleski, Curtis M.; Evagorou, Andri; Kampf, Jeff W.; Pecoraro, Vincent L.; Kessissoglou, Dimitris P.","A cationic 24-MC-8 manganese cluster with ring metals possessing three oxidation states [Mn^II^~4~Mn^III^~6~Mn^IV^~2~(μ~4~-O)~2~(μ~3~-O)4(μ~3~-OH)~4~(μ~3~-OCH~3~)~2~(pko)~12~](OH)(ClO~4~)~3~","Chemical Communications (Cambridge, United Kingdom)","2003","","21","2668","2669","10.1039/b309439a","","","0.71073","MoKα","","0.0995","0.064","","","0.1548","0.1686","","","","","","1.039","","","","has coordinates","210537","2020-10-21","18:00:00",""
"7107857","15.2873","0.0012","15.2873","0.0012","14.96","0.002","90","","90","","90","","3496.2","0.6","89","2","89","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C64 H60 Cu8 N20 O20 -","- C64 H60 Cu8 N20 O20 -","- C128 H120 Cu16 N40 O40 -","2","0.25","","Nicholas G. White; Jonathan A. Kitchen; John A. Joule; Sally Brooker","Copper-induced N-N bond cleavage results in an octanuclear expanded-core grid-like complex","Chem.Commun.","2012","48","","6229","","10.1039/c2cc32018e","","","0.71073","MoKα","","0.1782","0.0672","","","0.1443","0.2039","","","","","","1.051","","","","has coordinates,has disorder","301853","2025-08-21","21:50:07",""
"7108494","20.822","0.002","20.822","","9.6348","0.0011","90","","90","","90","","4177.2","0.6","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C23 H16 K N9 O -","- C23 H16 K N9 O -","- C184 H128 K8 N72 O8 -","8","1","","Yumi Yakiyama; Akira Ueda; Yasushi Morita; Masaki Kawano","Crystal surface mediated structure transformation of a kinetic framework composed of multi-interactive ligand TPHAP and Co(II)","Chem.Commun.","2012","48","","10651","","10.1039/c2cc35078e","","","0.71073","MoKα","","0.0668","0.0492","","","0.1424","0.157","","","","","","1.049","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7109472","9.7396","0.0003","9.7396","0.0003","18.008","0.0008","90","","90","","90","","1708.24","0.11","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) diperchlorate","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C52 H52 Cl4 Fe2 N20 O16 -","2","0.25","","Thomas D. Roberts; Marc A. Little; Floriana Tuna; Colin A. Kilner; Malcolm A. Halcrow","Isostructural Salts of the Same Complex Showing Contrasting Thermal Spin-Crossover Mediated by Multiple Phase Changes","Chem.Commun.","2013","49","","6280","","10.1039/c3cc43613f","","","0.71073","MoKα","","0.1112","0.0939","","","0.3195","0.3483","","","","","","1.532","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109647","18.012","0.002","18.012","0.002","20.474","0.002","90","","90","","90","","6642.4","1.2","298","","298","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C26 H42 F6 Fe N6 O2 P -","- C26 H42 F6 Fe N6 O2 P -","- C208 H336 F48 Fe8 N48 O16 P8 -","8","1","","Megumi Okuhata; Yusuke Funasako; Kazuyuki Takahashi; Tomoyuki Mochida","A spin-crossover ionic liquid from the cationic iron(III) Schiff base complex","Chem.Commun.","2013","49","","7662","","10.1039/c3cc44199g","","","0.71073","MoKα","","0.0958","0.0789","","","0.2418","0.2663","","","","","","1.052","","","","has coordinates","301853","2025-08-21","21:50:11",""
"7110599","15.232","0.001","15.232","0.001","18.729","0.002","90","","90","","90","","4345.4","0.6","143","2","143","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C98 H120 N8 Na4 Pr2 -","- C98 H120 N8 Na4 Pr2 -","- C196 H240 N16 Na8 Pr4 -","2","0.25","","Campazzi, Elisa; Solari, Euro; Scopelliti, Rosario; Floriani, Carlo","Lanthanide organometallic chemistry based on the porphyrinogen skeleton: acetylene and ethylene bridging praseodymium and neodymium η5:η1:η5:η1-bonded to meso-octaethylporphyrinogen","Chemical Communications","1999","","17","1617","","10.1039/a904032c","","","0.7107","MoKα","","0.0361","0.0303","","","0.0884","0.0971","","","","","","1.133","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7112110","18.598","0.003","18.598","0.003","31.814","0.006","90","","90","","90","","11004","3","180","2","180","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C170 H143 Ce4 N29 O30 -","- C170.02 H127 Ce4 N29 O30.08 -","- C340.04 H254 Ce8 N58 O60.16 -","2","0.25","","Liang Zhao; Yulu Chu; Cheng He; Chunying Duan","Fluorescent detection of RDX within DHPA-containing metal-organic polyhedra","Chem.Commun.","2014","50","","3467","","10.1039/C3CC49355E","","","0.71073","MoKα","","0.1269","0.071","","","0.2276","0.2566","","","","","","0.981","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112557","24.934","0.004","24.934","0.004","6.7732","0.0006","90","","90","","90","","4210.9","1","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","Barium uranyl borate phosphate","","","- B5 Ba5 H0.25 O23.125 P3 U -","- B5 Ba5 O23.125 P3 U -","- B40 Ba40 O185 P24 U8 -","8","1","","Wu, Shijun; Wang, Shuao; Diwu, Juan; Depmeier, Wulf; Malcherek, Thomas; Alekseev, Evgeny V.; Albrecht-Schmitt, Thomas E","Complex clover cross-sectioned nanotubules exist in the structure of the first uranium borate phosphate.","Chemical communications (Cambridge, England)","2012","48","29","3479","3481","10.1039/c2cc17517g","","","0.71073","MoKα","","0.0446","0.0254","","","0.0404","0.0437","","","","","","0.929","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112859","17.7245","0.0009","17.7245","0.0009","22.88","0.002","90","","90","","90","","7187.9","0.8","296","2","296","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C128 H100 Fe4 N8 O4 P4 Pd4 -","- C128 H100 Fe4 N8 O4 P4 Pd4 -","- C256 H200 Fe8 N16 O8 P8 Pd8 -","2","0.25","","Xu, Chen; Zhang, Ya-Peng; Wang, Zhi-Qiang; Fu, Wei-Jun; Hao, Xin-Qi; Xu, Yan; Ji, Bao-Ming","Design and synthesis of tetranuclear cluster monophosphine-cyclopalladated ferrocenylpyrimidinone complexes from the palladium-catalyzed hydroxylation of chloropyrimidine.","Chemical communications (Cambridge, England)","2010","46","36","6852","6854","10.1039/c0cc01870h","","","0.71073","MoKα","","0.0938","0.0453","","","0.0821","0.0898","","","","","","1.071","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7113817","27.379","0.004","27.379","0.004","16.984","0.003","90","","90","","90","","12731","3","253","2","253","2","","","","","","","","9","P 42/n :2","-P 4bc","86","","","","- C176 H112 Ag6 Br8 F12 N8 O12 P10 Re4 -","- C176 H112 Ag6 Br8 F12 N8 O12 P10 Re4 -","- C352 H224 Ag12 Br16 F24 N16 O24 P20 Re8 -","2","0.25","","Yam, Vivian Wing-Wah; Lo, Wing-Yin; Zhu, Nianyong","Synthesis and luminescence behaviour of novel heterodecanuclear silver(I)–rhenium(I) alkynyl complexes. X-Ray crystal structures of [Ag6(μ-dppm)4{μ3-C≡CC≡C–Re(Me2bpy)(CO)3}4](PF6)2 and [Ag6(μ-dppm)4{μ3-C≡CC≡C–Re(Br2phen)(CO)3}4](PF6)2","Chemical Communications (Cambridge, United Kingdom)","2003","","19","2446","2447","10.1039/b307479j","","","0.71073","MoKα","","0.1023","0.0665","","","0.2207","0.2395","","","","","","1.019","","","","has coordinates","297215","2025-01-08","06:51:39",""
"7114292","16.661","0.002","16.661","0.002","7.0586","0.0009","90","","90","","90","","1959.4","0.4","298","","","","","","","","","","Local laboratory","5","P 42/n :2","-P 4bc","86","","","","- C40 H52 N4 O4 Si -","- C32 N2 O2 Si0.25 -","- C64 N4 O4 Si0.5 -","2","0.25","","Liao, Yi; Baskett, Martha; Lahti, Paul M.; Palacio, Fernando","Structure and exchange in silicon-linked tetraradicalsElectronic supplementary information (ESI) available: EPR spectra, X-ray crystallographic data and packing views, synthetic and characterization details for 1a and 2, χT plot for 2, and computational summaries for model systems. See http://www.rsc.org/suppdata/cc/b1/b107430j/","Chemical Communications","2002","","3","252","","10.1039/b107430j","","","0.71073","MoKα","","0.315","0.246","","0.264","0.218","0.218","","","4.832","5.89","5.89","5.89","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114363","13.7409","0.0019","13.7409","0.0019","14.976","0.003","90","","90","","90","","2827.7","0.8","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H28 O30 Si Zn8 -","- C48 H28 O30 Si Zn8 -","- C96 H56 O60 Si2 Zn16 -","2","0.25","","Yang, S. Y.; Long, L. S.; Huang, R. B.; Zheng, L. S.","[Zn8(SiO4)(C8H4O4)6]n: the firstborn of a metallosilicate–organic hybrid material family (C8H4O4 = isophthalate)","Chemical Communications","2002","","5","472","","10.1039/b110557d","","","0.71073","MoKα","","0.0836","0.0502","","","0.1055","0.1194","","","","","","1.039","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114558","18.6679","0.0002","18.6679","0.0002","17.8347","0.0002","90","","90","","90","","6215.22","0.12","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C33 H30 Cd Cl O6 P -","- C33 H26 Cd Cl O6 P -","- C264 H208 Cd8 Cl8 O48 P8 -","8","1","","Dai, Jing-Cao; Wu, Xin-Tao; Fu, Zhi-Yong; Hu, Sheng-Min; Du, Wen-Xing; Cui, Chuan-Peng; Wu, Li-Ming; Zhang, Han-Hui; Sun, Rui-Qing","A novel ribbon-candy-like supramolecular architecture of cadmium(ii)‒terephthalate polymer with giant rhombic channels: twofold interpenetration of the 3D 8210-a net","Chemical Communications","2002","","1","12","","10.1039/b107592f","","","0.71073","MoKα","","0.0852","0.0428","","","0.0988","0.1288","","","","","","1.152","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7116770","36.726","0.011","36.726","0.013","5.6924","0.0019","90","","90","","90","","7678","4","125","","125","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C44.5 H36 Cl N4 O3 -","- C44.5 H36 Cl N4 O3 -","- C356 H288 Cl8 N32 O24 -","8","1","","K. Ackermann; A. Giannoulis; D. B. Cordes; A. M. Z. Slawin; B. E. Bode","Assessing dimerisation degree and cooperativity in a biomimetic small-molecule model by pulsed EPR","Chem.Commun.","2015","51","","5257","","10.1039/C4cc08656B","","","1.54187","CuKα","","0.1648","0.1365","","","0.3766","0.4042","","","","","","1.612","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116942","20.9259","0.001","20.9259","0.001","9.6322","0.0005","90","","90","","90","","4217.9","0.4","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C22 H12 K N9 O1.94 -","- C22 H12 K N9 O1.936 -","- C176 H96 K8 N72 O15.488 -","8","1","","Yumi Yakiyama; Gil Ryeong Lee; Sung Yeon Kim; Yoshitaka Matsushita; Yasushi Morita; Moon Jeong Park; Masaki Kawano","Formation of a nanometer-thick water layer at high humidity on a dynamic crystalline material composed of multi-interactive molecules","Chem.Commun.","2015","51","","6828","","10.1039/C5cc01568E","","","0.71073","MoKα","","0.1356","0.0879","","","0.2505","0.2823","","","","","","1.058","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7117937","24.153","","24.153","","8.468","","90","","90","","90","","4939.96","","","","","","","","","","","","","6","P 42/n :2","-P 4bc","86","","N3 P3 Cl4 C O (Fe (C O)3)3","","- C10 Cl4 Fe3 N3 O10 P3 -","- C10 Cl4 Fe3 N3 O10 P3 -","- C80 Cl32 Fe24 N24 O80 P24 -","8","1","","Suszko, P.R.; Whittle, R.R.; Allcock, H.R.","Synthesis of a Di-iron-spirocyclotriphosphazene and a Tri-iron-cluster-cyclotriphosphazene","Journal of the Chemical Society. Chemical Communications (1972-)","1982","1982","","1344","1344","","","","","","","","","","","","","","","","","","","","","","has coordinates","167913","2020-10-21","18:00:00",""
"7120097","20.8163","0.0018","20.8163","0.0018","8.5798","0.0008","90","","90","","90","","3717.8","0.6","298","2","298","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C21 H22 F2 O2 -","- C21 H22 F2 O2 -","- C168 H176 F16 O16 -","8","1","","Zhu, Yi-Long; Wang, Ai-Fang; Du, Jian-Yu; Leng, Bo-Rong; Tu, Shu-Jiang; Wang, Decai; Wei, Ping; Hao, Wen-Juan; Jiang, Bo","Ag-catalyzed difluorohydration of β-alkynyl ketones for diastereoselective synthesis of 1,5-diconboyl compounds","Chem. Commun.","2017","","","","","10.1039/C7CC02088K","","","0.71073","MoKα","","0.1647","0.0561","","","0.1822","0.2068","","","","","","1.036","","","","has coordinates","301860","2025-08-22","09:23:27",""
"7124512","23.0332","0.0001","23.0332","0.0001","9.5153","0.0001","90","","90","","90","","5048.14","0.06","90","2","90","2","","","","","","","","3","P 42/n :2","-P 4bc","86","Compound-6","","","- C32 H30 O4 -","- C32 H30 O4 -","- C256 H240 O32 -","8","1","","Nishikawa, Tsuyoshi; Narita, Hiroki; Ogi, Soichiro; Sato, Yoshikatsu; Yamaguchi, Shigehiro","Hydrophobicity and CH/π-interaction-driven self-assembly of amphiphilic aromatic hydrocarbons into nanosheets","Chemical Communications","2019","","","","","10.1039/C9CC08070H","","","0.8104","Synchrotron","","0.0603","0.0543","","","0.1454","0.1506","","","","","","1.033","","","","has coordinates,has disorder","301860","2025-08-22","09:26:36",""
"7124973","22.8131","0.0006","22.8131","0.0006","7.7879","0.0004","90","","90","","90","","4053.1","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C19 H14 Ag F3 N6 O3 -","- C19 H14 Ag F3 N6 O3 -","- C152 H112 Ag8 F24 N48 O24 -","8","1","","Li, Cheng-Peng; Wang, Si; Guo, Wei; Yan, Yan; Du, Miao","Dual structure evolution of a Ag(i) supramolecular framework triggered by anion-exchange: replacement of terminal ligand and switching of network interpenetration degree.","Chemical communications (Cambridge, England)","2016","52","74","11060","11063","10.1039/c6cc05938d","","","0.71073","MoKα","","0.0798","0.04","","","0.0876","0.111","","","","","","1.026","","","","has coordinates","234397","2020-10-21","18:00:00",""
"7125414","14.5333","0.000016","14.5333","0.000016","7.83602","0.000013","90","","90","","90","","1655.1","0.004","150","","150","","","","","","","","synthesized","4","P 42/n :2","-P 4bc","86","","","","- C33 H44 N8 O4 -","- C33 H44 N8 O4 -","- C66 H88 N16 O8 -","2","0.25","","Cullen, Duncan A.; Gardiner, Michael G.; White, Nicholas G.","A three dimensional hydrogen bonded organic framework assembled through antielectrostatic hydrogen bonds.","Chemical communications (Cambridge, England)","2019","55","80","12020","12023","10.1039/c9cc06707h","","","1.54184","CuKα","","0.0511","0.0499","","0.1348","0.1326","0.1348","","","","","","1.0161","","","","has coordinates","301860","2025-08-22","09:26:38",""
"7125478","17.7771","0.0002","17.7771","0.0002","23.6753","0.0003","90","","90","","90","","7481.99","0.15","123","2","123","2","","","","","","","","7","P 42/n :2","-P 4bc","86","[Sr(H2O)8](H2O)4[(CH3CN)(CTV)][Co(C2B9H11)2]2","octaaquostrontium(II) tetra(cyclotriveratrylene) tetrahydrate [cobalt(III)bis(dicarbollide)] acetonitrile clathrate","","- C31 H50 B9 Co0.5 N O9 Sr0.25 -","- C31 H50 B9 Co0.5 N O9 Sr0.25 -","- C248 H400 B72 Co4 N8 O72 Sr2 -","8","1","","Hardie, M. J.; Raston, C. L.; Salinas, A.","A 3,12-connected vertice sharing adamantoid hydrogen bonded network featuring tetrameric clusters of cyclotriveratrylene.","Chemical communications (Cambridge, England)","2001","","18","1850","1851","10.1039/b105517h","","","0.7107","MoKα","","0.076","0.0437","","","0.0904","0.1023","","","","","","1.013","","","","has coordinates","243947","2020-10-21","18:00:00",""
"7125479","17.6914","0.0003","17.6914","0.0003","23.6592","0.0003","90","","90","","90","","7405","0.2","123","2","123","2","","","","","","","","8","P 42/n :2","-P 4bc","86","[La0.5Na0.5(H2O)8](H2O)4[(CH3CN)(CTV)][Co(C2B9H11)2]2","octaaquolanthanum/sodium tetra(cyclotriveratrylene)tetrahydrate [cobalt(III)bis(dicarbollide)] acetonitrile clathrate","","- C31 H50 B9 Co0.5 La0.13 N Na0.13 O9 -","- C31 H44 B9 Co0.5 La0.125 N Na0.125 O9 -","- C248 H352 B72 Co4 La N8 Na O72 -","8","1","","Hardie, M. J.; Raston, C. L.; Salinas, A.","A 3,12-connected vertice sharing adamantoid hydrogen bonded network featuring tetrameric clusters of cyclotriveratrylene.","Chemical communications (Cambridge, England)","2001","","18","1850","1851","10.1039/b105517h","","","0.71073","MoKα","","0.113","0.0776","","","0.2068","0.2324","","","","","","1.038","","","","has coordinates,has disorder","243947","2020-10-21","18:00:00",""
"7125480","17.6918","0.0003","17.6918","0.0003","23.7339","0.0003","90","","90","","90","","7428.7","0.2","123","2","123","2","","","","","","","","8","P 42/n :2","-P 4bc","86","[Y0.5Na0.5(H2O)8](H2O)4[(CH3CN)(CTV)][Co(C2B9H11)2]2","octaaquoyttrium/sodium tetra(cyclotriveratrylene)tetrahydrate [cobalt(III)bis(dicarbollide)] acetonitrile clathrate","","- C31 H50 B9 Co0.5 N Na0.125 O9 Y0.125 -","- C31 H46 B9 Co0.5 N Na0.125 O9 Y0.125 -","- C248 H368 B72 Co4 N8 Na O72 Y -","8","1","","Hardie, M. J.; Raston, C. L.; Salinas, A.","A 3,12-connected vertice sharing adamantoid hydrogen bonded network featuring tetrameric clusters of cyclotriveratrylene.","Chemical communications (Cambridge, England)","2001","","18","1850","1851","10.1039/b105517h","","","0.71073","MoKα","","0.1335","0.0885","","","0.1906","0.2135","","","","","","1.043","","","","has coordinates,has disorder","243947","2020-10-21","18:00:00",""
"7127006","8.3584","0.0006","8.3584","0.0006","6.7005","0.0009","90","","90","","90","","468.12","0.08","130","2","130","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C18 H16 N8 -","2","0.25","","Butera, Roberto; Shrinidhi, Annadka; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Fourfold symmetric MCR's <i>via</i> the tetraisocyanide 1,3-diisocyano-2,2-bis(isocyanomethyl)propane.","Chemical communications (Cambridge, England)","2020","56","73","10662","10665","10.1039/d0cc04522e","","x-ray","1.54184","CuKα","","0.0678","0.0665","","","0.1693","0.1706","","","","","","1.176","","","","has coordinates","301860","2025-08-22","09:26:41",""
"7127487","19.1081","0.0004","19.1081","0.0004","24.3996","0.0006","90","","90","","90","","8908.8","0.3","150","","150","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C53.5 H34 B0.5 Cl F2 O2 -","- C53.5 H34 B0.5 Cl F2 O2 -","- C428 H272 B4 Cl8 F16 O16 -","8","1","","Chen, Xingyu; Yan, Lipeng; Liu, Yanhong; Yang, Yudong; You, Jingsong","Switchable cascade C-H annulation to polycyclic pyryliums and pyridiniums: discovering mitochondria-targeting fluorescent probes.","Chemical communications (Cambridge, England)","2020","56","95","15080","15083","10.1039/d0cc06997c","","x-ray","1.54184","CuKα","","0.1186","0.0899","","","0.2573","0.2869","","","","","","1.042","","","","has coordinates","259643","2020-12-08","01:55:11",""
"7128097","21.9496","0.0003","21.9496","0.0003","7.9389","0.0002","90","","90","","90","","3824.84","0.12","170","0.1","170","0.1","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C25 H19 N O -","- C25 H19 N O -","- C200 H152 N8 O8 -","8","1","","Bi, Weiyang; Yang, Yunhui; Ye, Song; Wang, Congyang","Umpolung coupling of pyridine-2-carboxaldehydes and propargylic carbonates <i>via</i> N-heterocyclic carbene/palladium synergetic catalysis.","Chemical communications (Cambridge, England)","2021","57","36","4452","4455","10.1039/d1cc01311d","","x-ray","0.71073","MoKα","","0.0533","0.0438","","","0.1135","0.1189","","","","","","1.038","","","","has coordinates","301860","2025-08-22","09:27:02",""
"7128488","13.8705","0.0003","13.8705","0.0003","22.5752","0.0008","90","","90","","90","","4343.3","0.2","175","2","175","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C60 H86 Eu4 N12 O43 Zn6 -","- C60 H86 Eu4 N12 O43 Zn6 -","- C120 H172 Eu8 N24 O86 Zn12 -","2","0.25","","Ge, Rui; Liu, Jin-Hua; Li, Xin-Hao; Li, Ling-Yun; Sun, Yan-Qiong; Li, Zhikai; Li, Xin-Xiong; Zheng, Shou-Tian","Luminescent cluster-organic frameworks constructed from predesigned supertetrahedral {Ln<sub>4</sub>Zn<sub>6</sub>} secondary building units.","Chemical communications (Cambridge, England)","2021","57","56","6927","6930","10.1039/d1cc02727a","","","0.71073","MoKα","","0.0469","0.0397","","","0.1029","0.1081","","","","","","1.073","","","","has coordinates","268518","2021-09-06","09:06:19",""
"7129379","25.44","0.004","25.44","0.004","7.34","0.0015","90","","90","","90","","4750.4","1.4","100","","100","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C57 H48 N12 O8 -","- C57 H48 N12 O8 -","- C114 H96 N24 O16 -","2","0.25","","Muang-Non, Phonlakrit; Toop, Hamish D.; Doonan, Christian J.; White, Nicholas G.","Use of modulators and light to control crystallisation of a hydrogen bonded framework","Chemical Communications","2022","","","","","10.1039/D1CC06164J","","","0.71075","Synchrotron","","0.0558","0.0556","","","0.1808","0.1811","","","","","","1.092","","","","has coordinates","271331","2021-12-10","22:54:57",""
"7129380","25.779","0.004","25.779","0.004","7.43","0.0015","90","","90","","90","","4937.7","1.5","100","","100","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C61 H52 N8 O8 -","- C61 H52 N8 O8 -","- C122 H104 N16 O16 -","2","0.25","","Muang-Non, Phonlakrit; Toop, Hamish D.; Doonan, Christian J.; White, Nicholas G.","Use of modulators and light to control crystallisation of a hydrogen bonded framework","Chemical Communications","2022","","","","","10.1039/D1CC06164J","","","0.71075","Synchrotron","","0.0652","0.0647","","","0.1922","0.1934","","","","","","1.147","","","","has coordinates","271331","2021-12-10","22:55:06",""
"7130321","37.176","0.0002","37.176","0.0002","11.9664","0.0001","90","","90","","90","","16538.2","0.19","120.15","","120","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","","EA-416_Acetone","","- C87 H140 Cl14 N24 Ni14 O34 -","- C87 H140 Cl14 N24 Ni14 O34 -","- C348 H560 Cl56 N96 Ni56 O136 -","4","0.5","","Brechin, Euan K.; Agapaki, Eleftheria; Singh, Mukesh; Tsanai, Angelos B.; Nichol, Gary Stephen; Schnack, Jürgen","A graceful break-up: serendipitous self-assembly of a ferromagnetically coupled [NiII14] wheel","Chemical Communications","2022","","","","","10.1039/D2CC03445J","","x-ray","0.71073","MoKα","","0.0634","0.057","","","0.1273","0.13","","","","","","1.172","","","","has coordinates,has disorder","276573","2022-07-05","21:52:54",""
"7131908","26.734","0.002","26.734","0.002","10.4241","0.0014","90","","90","","90","","7450.2","1.3","170","","170","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C43 H58 F N2 P Si -","- C43 H58 F N2 P Si -","- C344 H464 F8 N16 P8 Si8 -","8","1","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","1.34139","GaKα","","0.1097","0.0663","","","0.1668","0.1899","","","","","","1.017","","","","has coordinates","285296","2023-07-20","21:55:34",""
"7131924","27.113","0.0009","27.113","0.0009","10.1061","0.0003","90","","90","","90","","7429.1","0.4","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C64 H64 N6 O44 U5 -","- C64 H64 N6 O44 U5 -","- C256 H256 N24 O176 U20 -","4","0.5","","Thuéry, Pierre; Kusumoto, Sotaro; ATOINI, Youssef; Koide, Yoshihiro; Chainok, Kittipong; Hayami, Shinya; Kim, Yang; Harrowfield, Jack","Nanotubule inclusion in the channels formed by a six-fold interpenetrated, triperiodic framework","Chemical Communications","2023","","","","","10.1039/D3CC02636A","","","0.71073","MoKα","","0.0296","0.0258","","","0.0573","0.0589","","","","","","1.139","","","","has coordinates","285333","2023-07-25","21:54:12",""
"7132132","17.9368","0.0006","17.9368","0.0006","7.5125","0.0004","90","","90","","90","","2416.99","0.17","170","2","170","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- As Cd Cs2 Se5 -","- As Cd Cs2 Se5 -","- As8 Cd8 Cs16 Se40 -","8","1","","Chen , Xin; Zhou, Shenghua; Zhang, Chao; Lin, Hua; Liu, Yi","A novel bifunctional thioarsenate based on unprecedented molecular [Cd4As8S16(S2)2]8− cluster anions","Chemical Communications","2023","","","","","10.1039/D3CC03538G","","","0.71073","MoKα","","0.0442","0.0433","","","0.1087","0.1092","","","","","","1.09","","","","has coordinates","286339","2023-09-14","21:56:32",""
"7132617","21.355","0.002","21.355","0.002","11.6688","0.0015","90","","90","","90","","5321.4","1","193","2","193","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C26 H36 N3 Ni O P -","- C26 H36 N3 Ni O P -","- C208 H288 N24 Ni8 O8 P8 -","8","1","","Bermejo, José; Ortega-Lepe, Isabel; Santos, Laura L.; Rendón, Nuria; López-Serrano, Joaquín; Álvarez, Eleuterio; Suárez, Andrés","Nitrous oxide activation by picoline-derived Ni-CNP hydrides.","Chemical communications (Cambridge, England)","2024","60","12","1575","1578","10.1039/d3cc05455a","","","0.71073","MoKα","","0.0463","0.0373","","","0.0932","0.0974","","","","","","1.039","","","","has coordinates","290102","2024-03-04","19:54:23",""
"7133128","23.1123","0.0005","23.1123","0.0005","6.8449","0.0002","90","","90","","90","","3656.4","0.15","120.01","0.1","120.01","0.1","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C14 H24 N4 O9 -","- C14 H24 N4 O9 -","- C112 H192 N32 O72 -","8","1","","Al Rahal, Okba; Ferguson, Michael; Lennox, Cameron B.; Male, Louise; Friščić, Tomislav","Structure of the caffeine-pyrogallol complex: revisiting a pioneering structural analysis of a model pharmaceutical cocrystal.","Chemical communications (Cambridge, England)","2024","60","58","7431","7434","10.1039/d4cc02289k","","x-ray","1.54184","CuKα","","0.063","0.0447","","","0.108","0.1211","","","","","","1.057","","","","has coordinates,has disorder","293675","2024-08-05","17:19:16",""
"7134931","15.539","0.002","15.539","0.002","9.7031","0.0016","90","","90","","90","","2342.9","0.6","296","2","296","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H22 N2 -","- C32 H22 N2 -","- C128 H88 N8 -","4","0.5","","Lijina, M. P.; Sujilkumar, Suvarna; Jadhav, Sohan D.; Hariharan, Mahesh","Exciton interactions in crystalline crossed diazapentacene.","Chemical communications (Cambridge, England)","2025","61","79","15397","15400","10.1039/d5cc04354a","","","0.71073","MoKα","","0.1009","0.0552","","","0.1433","0.1907","","","","","","1.046","","","","has coordinates","302438","2025-10-06","07:06:00",""
"7150013","22.627","0.0013","22.627","0.0013","12.7634","0.0008","90","","90","","90","","6534.6","0.7","123.1","","123","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C162 H107 Br9 N4 -","- C132 H82 Br4 N4 -","- C264 H164 Br8 N8 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1168","0.089","","","0.2291","0.2378","","","","","","1.242","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150014","22.4739","0.0008","22.4739","0.0008","12.8564","0.0003","90","","90","","90","","6493.5","0.4","123.2","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C168 H110 Cl10 N4 Zn -","- C108 H60 N4 Zn -","- C216 H120 N8 Zn2 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0851","0.0684","","","0.1946","0.1987","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150281","21.1744","0.0009","21.1744","0.0009","9.5008","0.0006","90","","90","","90","","4259.7","0.4","173","2","173","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C24 H32 O2 S -","- C24 H32 O2 S -","- C192 H256 O16 S8 -","8","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.1263","0.0684","","","0.1453","0.178","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150572","22.8916","0.0012","22.8916","0.0012","5.224","0.004","90","","90","","90","","2738","2","208","2","208","2","","","","","","","","4","P 42/n :2","-P 4bc","86","AD11","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","1","","Díaz-Rodríguez, Alba; Sanghvi, Yogesh S.; Fernández, Susana; Schinazi, Raymond F.; Theodorakis, Emmanuel A.; Ferrero, Miguel; Gotor, Vicente","Synthesis and anti-HIV activity of conformationally restricted bicyclic hexahydroisobenzofuran nucleoside analogs","Organic & Biomolecular Chemistry","2009","7","7","1415","1423","10.1039/b818707j","","","0.71073","MoKα","","0.0739","0.0675","","","0.12","0.1223","","","","","","1.346","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7157517","25.0521","0.0011","25.0521","0.0011","15.1716","0.0018","90","","90","","90","","9521.8","1.3","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[5]rotaxane","","- C192 H224 B6 F24 N8 O48 -","- C192 H224 B6 F24 N8 O48 -","- C384 H448 B12 F48 N16 O96 -","2","0.25","","Martinez-Bulit, Pablo; Wilson, Benjamin H.; Loeb, Stephen J.","One-pot synthesis of porphyrin-based [5]rotaxanes.","Organic & biomolecular chemistry","2020","18","23","4395","4400","10.1039/d0ob00906g","","x-ray","1.54184","CuKα","","0.2752","0.1892","","","0.4626","0.5216","","","","","","1.677","","","","has coordinates,has disorder","257926","2020-10-21","18:00:00",""
"7200403","21.49","0.02","21.49","0.02","7.472","0.01","90","","90","","90","","3451","6","123.1","","","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Fe2 N16 P -","- C88 H52 Cl4 Fe2 N16 P -","- C176 H104 Cl8 Fe4 N32 P2 -","2","0.25","","Yu, Derrick Ethelbhert C.; Matsuda, Masaki; Tajima, Hiroyuki; Kikuchi, Akira; Taketsugu, Tetsuya; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu","Variable magnetotransport properties in the TPP[Fe(Pc)L2]2 system (TPP = tetraphenylphosphonium, Pc = phthalocyaninato, L = CN, Cl, and Br)","Journal of Materials Chemistry","2009","19","6","718","","10.1039/b814609h","","","0.71075","MoKα","","","0.047","","","","0.1288","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200404","21.41","0.002","21.41","0.002","7.5777","0.0007","90","","90","","90","","3473.5","0.6","123.1","","","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Br4 Fe2 N16 P -","- C88 H52 Br4 Fe2 N16 P -","- C176 H104 Br8 Fe4 N32 P2 -","2","0.25","","Yu, Derrick Ethelbhert C.; Matsuda, Masaki; Tajima, Hiroyuki; Kikuchi, Akira; Taketsugu, Tetsuya; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu","Variable magnetotransport properties in the TPP[Fe(Pc)L2]2 system (TPP = tetraphenylphosphonium, Pc = phthalocyaninato, L = CN, Cl, and Br)","Journal of Materials Chemistry","2009","19","6","718","","10.1039/b814609h","","","0.71075","MoKα","","","0.0378","","","","0.1091","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200582","30.984","0.006","30.984","0.006","6.7681","0.0014","90","","90","","90","","6497","2","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C34 H18 Ag2 F12 O8 -","- C34 H18 Ag2 F12 O8 -","- C272 H144 Ag16 F96 O64 -","8","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0659","0.0552","","","0.1287","0.135","","","","","","1.083","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7201085","13.9822","0.0013","13.9822","0.0013","6.2233","0.0012","90","","90","","90","","1216.7","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C24 H26 N8 O4 Zn -","- C24 H16 N8 O4 Zn -","- C48 H32 N16 O8 Zn2 -","2","0.25","","Xu, Jing; Bai, Zheng-Shuai; Chen, Man-Sheng; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin","Metal‒organic frameworks with six- and four-fold interpenetration and their photoluminescence and adsorption property","CrystEngComm","2009","11","12","2728","","10.1039/b904784k","","","0.71073","MoKα","","0.0717","0.0572","","","0.1408","0.1493","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201744","16.091","0.006","16.091","0.006","8.041","0.004","90","","90","","90","","2082","1.5","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate","1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C88 H104 N16 O8 -","4","0.5","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.1678","0.0847","","","0.1273","0.1511","","","","","","1.107","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7203025","22.2733","0.0012","22.2733","0.0012","8.9917","0.0003","90","","90","","90","","4460.8","0.4","123","2","123","2","","","","","","","","5","P 42/n :2","-P 4bc","86","[Y(BA)3(DMSO)]n","poly[tris(benzoato)(dimethylsulphoxide)yttrium(III)]","","- C23 H21 O7 S Y -","- C23 H21 O7 S Y -","- C184 H168 O56 S8 Y8 -","8","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0917","0.0456","","","0.0661","0.0741","","","","","","0.998","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203026","22.2964","0.0003","22.2964","0.0003","8.9633","0.0002","90","","90","","90","","4455.92","0.13","123","2","123","2","","","","","","","","5","P 42/n :2","-P 4bc","86","[Tb(BA)3(DMSO)]n","poly[tris(benzoato)(dimethylsulphoxide)terbium(III)]","","- C23 H21 O7 S Tb -","- C23 H21 O7 S Tb -","- C184 H168 O56 S8 Tb8 -","8","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0193","0.017","","","0.0353","0.0363","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203332","20.9857","0.0014","20.9857","0.0014","17.3731","0.0012","90","","90","","90","","7651.1","0.9","153","2","153","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C102 H108.4 Cl10 Cu9 N66 O65.2 -","- C102 H82 Cl10 Cu9 N66 O65.2 -","- C204 H164 Cl20 Cu18 N132 O130.4 -","2","0.25","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1127","0.1023","","","0.2406","0.2479","","","","","","1.254","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203951","21.722","0.002","21.722","0.002","7.448","0.002","90","","90","","90","","3514.3","1","291.2","","293","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C92 H52 Fe2 N20 P -","- C92 H52 Fe2 N20 P -","- C184 H104 Fe4 N40 P2 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki; Otsuka, Takeo; Awaga, Kunio; Narymbetov, Bakhyt; Kobayashi, Hayao","A one-dimensional macrocyclic π‐ligand conductor carrying a magnetic center. Structure and electrical, optical and magnetic properties of TPP[Fe(Pc)(CN)2]2 {TPP = tetraphenylphosphonium and [Fe(Pc)(CN)2] = dicyano(phthalocyaninato)iron(iii)}","Journal of Materials Chemistry","2000","10","3","631","","10.1039/a909159i","","","0.7107","MoKα","","0.0358","0.0358","","","0.0385","0.0385","","","","","","2.45","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206982","17.911","0.003","17.911","0.003","6.827","0.0014","90","","90","","90","","2190.1","0.7","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H11 Cu I2 N -","- C8 H11 Cu I2 N -","- C64 H88 Cu8 I16 N8 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0435","0.0407","","","0.089","0.0902","","","","","","1.174","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7210973","9.3967","0.0003","9.3967","0.0003","32.3703","0.0018","90","","90","","90","","2858.2","0.2","296","2","296","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H24 Cu4 I2 N4 S4 W -","- C24 H24 Cu4 I2 N4 S4 W -","- C48 H48 Cu8 I4 N8 S8 W2 -","2","0.25","","Zhang, Ming-Dao; Qin, Ling; Yao, Xiao-Qiang; Yang, Qing-Xiang; Guo, Zi-Jian; Zheng, He-Gen","The synthesis, structure and third-order nonlinear optical effect of a new 2D cluster polymer based on a [WS4Cu4]2+ SBU and 1,2-di(pyridin-4-yl)ethane","CrystEngComm","2013","15","36","7354","","10.1039/c3ce41033a","","","0.71073","MoKα","","0.0345","0.0323","","","0.1202","0.1217","","","","","","1.01","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211154","20.222","0.005","20.222","0.005","14.199","0.005","90","0.005","90","0.005","90","0.005","5806","3","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H22 Ag3 N10 O42 P W12 -","- C24 H18 Ag3 N10 O42 P W12 -","- C96 H72 Ag12 N40 O168 P4 W48 -","4","0.5","","Shi, Zhen-yu; Peng, Jun; Li, Yang-guang; Zhang, Zhe-yu; Yu, Xia; Alimaje, Kundawlet; Wang, Xiang","Assembly of multinuclear Ag complexes and Keggin polyoxometalates adjusted by organic ligands: syntheses, structures and luminescence","CrystEngComm","2013","15","37","7583","","10.1039/c3ce41312h","","","0.71069","MoKα","","0.0845","0.0531","","","0.1004","0.1125","","","","","","1.178","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211538","12.7076","0.0015","12.7076","0.0015","7.7157","0.0017","90","","90","","90","","1246","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","(Zn(N4CCH2COO)(H2O))n","[Zn(N4CCH2COO)(H2O)]n","","- C3 H4 N4 O3 Zn -","- C3 H4 N4 O3 Zn -","- C24 H32 N32 O24 Zn8 -","8","1","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0409","0.0328","","","0.0849","0.0917","","","","","","1.048","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211725","23.958","0.002","23.958","0.002","15.0646","0.0016","90","","90","","90","","8646.9","1.4","200","2","200","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C45.5 H36.83 N9.83 O1.83 Zn -","- C26.6667 H16 N5.33333 Zn0.666667 -","- C320 H192 N64 Zn8 -","12","1.5","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","1.54178","CuKα","","0.0827","0.0589","","","0.1525","0.164","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211795","23.5744","0.0003","23.5744","0.0003","15.0025","0.0003","90","","90","","90","","8337.7","0.2","110","2","110","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C40 H24 N8 Zn -","- C40 H24 N8 Zn -","- C320 H192 N64 Zn8 -","8","1","","Lipstman, Sophia; Goldberg, Israel","New cyclic tetrameric and square-grid polymeric modes of supramolecular self-assembly of zinc tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","1","52","","10.1039/b914799c","","","0.71073","MoKα","","0.1322","0.0657","","","0.1693","0.1866","","","","","","0.903","","","","has coordinates","301864","2025-08-22","15:14:29",""
"7211916","20.539","0.002","20.539","0.002","6.9994","0.001","90","","90","","90","","2952.7","0.6","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C12 H6 Cu O8 -","- C12 H6 Cu O8 -","- C96 H48 Cu8 O64 -","8","1","","Kanoo, Prakash; Gurunatha, K. L.; Maji, Tapas Kumar","Versatile functionalities in MOFs assembled from the same building units: interplay of structural flexibility, rigidity and regularity","Journal of Materials Chemistry","2010","20","7","1322","","10.1039/b917029d","","","0.71073","MoKα","","0.0405","0.0329","","","0.1016","0.1158","","","","","","1.139","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212625","13.7648","0.0002","13.7648","0.0002","23.6808","0.0006","90","","90","","90","","4486.79","0.15","173","","173","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C44 H40 Cu F6 N8 P S4 -","- C44 H40 Cu F6 N8 P S4 -","- C176 H160 Cu4 F24 N32 P4 S16 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0583","0.0262","","0.0601","0.0304","0.0304","","","","","","1.0384","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213534","20.31","0.004","20.31","0.004","13.971","0.003","90","0.02","90","0.02","90","0.02","5763","2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C59 H68 Cl40 N12 O4 Sb4 -","- C59 H64 Cl40 N12 O4 Sb4 -","- C118 H128 Cl80 N24 O8 Sb8 -","2","0.25","","Wang, Quanrui; Yang, Haiyan; Liu, Yi; Ding, Zongbiao; Tao, Fenggang","A facile route to poly[1-(2,4,6-trichlorophenyl)-1H-1,2,4-triazol-5-yl]alkane derivatives","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","991","","10.1039/b110059a","","","0.71069","MoKα","","0.2063","0.0796","","","0.228","0.304","","","","","","1.016","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7214400","15.4019","0.001","15.4019","0.001","8.4768","0.0011","90","","90","","90","","2010.9","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C37 H48 Cu2 N4 O16 -","- C37 H48 Cu2 N4 O16 -","- C74 H96 Cu4 N8 O32 -","2","0.25","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0941","0.0748","","","0.1689","0.1792","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214856","24.4459","0.0003","24.4459","0.0003","6.9701","0.0001","90","","90","","90","","4165.35","0.09","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C176 H144 F8 N24 O48 S8 -","8","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0998","0.044","","","0.0901","0.1058","","","","","","0.956","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215059","20.872","0.008","20.872","0.008","5.882","0.002","90","","90","","90","","2562.4","1.6","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C18 H16 Cd2 N6 O7 -","- C18 H16 Cd2 N6 O7 -","- C72 H64 Cd8 N24 O28 -","4","0.5","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.0657","0.0429","","","0.1184","0.1351","","","","","","1.089","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215060","20.8164","0.0013","20.8164","0.0013","5.8701","0.0004","90","","90","","90","","2543.6","0.3","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd N3 O3 -","- C9 H7 Cd N3 O3 -","- C72 H56 Cd8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.039","0.0313","","","0.0865","0.0904","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215061","21.23","0.06","21.23","0.06","6.029","0.017","90","","90","","90","","2717","13","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd I N3 O3 -","- C9 H7 Cd I N3 O3 -","- C72 H56 Cd8 I8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.083","0.0611","","","0.179","0.2029","","","","","","1.086","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7216733","32.849","0.005","32.849","0.005","13.718","0.005","90","","90","","90","","14803","6","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- H62 K7 N2 Na4 Nb14 O79 V -","- K7 N2 Na4 Nb14 O72 V -","- K56 N16 Na32 Nb112 O576 V8 -","8","1","","Huang, Peng; Zhou, En-Long; Wang, Xin-Long; Sun, Chun-Yi; Wang, Hai-Ning; Xing, Yan; Shao, Kui-Zhan; Su, Zhong-Min","New heteropolyniobates based on a bicapped Keggin-type {VNb14} cluster with selective adsorption and photocatalytic properties","CrystEngComm","2014","16","41","9582","","10.1039/C4CE00960F","","","0.71069","MoKα","","0.0733","0.059","","","0.1524","0.1665","","","","","","1.055","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7218237","17.028","0.004","17.028","0.004","8.0005","0.001","90","","90","","90","","2319.8","0.8","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C10 H14 N6 O -","- C10 H14 N6 O -","- C80 H112 N48 O8 -","8","1","","Benyei, Attila; Stirling, Andras; Bostai, Beatrix; Lőrincz, Krisztián; Kotschy, Andras","Out of cross-conjugation: The unexpected structure of tetrazinones","RSC Adv.","2014","","","","","10.1039/C4RA05616G","","","0.71073","MoKα","","0.3034","0.0924","","","","0.1809","","","","","","0.842","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7219625","12.7832","0.0001","12.7832","0.0001","32.5345","0.0007","90","","90","","90","","5316.47","0.13","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C80 H74 Cd N8 O12 -","- C80 H64 Cd N8 O12 -","- C160 H128 Cd2 N16 O24 -","2","0.25","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chen-Chuan; Lu, Kuang-Lieh","A huge diamondoid metal‒organic framework with a neo-mode of tenfold interpenetration","CrystEngComm","2015","17","15","2935","","10.1039/C5CE00037H","","","0.71073","MoKα","","0.1059","0.0574","","","0.1404","0.155","","","","","","0.963","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7220191","15.4331","0.0019","15.4331","0.0019","9.4388","0.0017","90","","90","","90","","2248.1","0.6","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C44 H52 Cu4 N4 O16 -","- C44 H52 Cu4 N4 O16 -","- C88 H104 Cu8 N8 O32 -","2","0.25","","Gao, Qian; Qin, Yaru; Chen, Yanmei; Liu, Wei; Li, Hai-Yan; Wu, Bing; Li, Yahong; Li, Wu","Cubane-type {M4O4} (M = CoII, ZnII, CuII) clusters: synthesis, crystal structures, and luminescent and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA04868K","","","0.71073","MoKα","","0.0451","0.0331","","","0.0894","0.0972","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7222925","9.2536","","9.2536","","16.792","","90","","90","","90","","1437.88","","","","","","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Nd Se1.9 -","- Nd Se1.9 -","- Nd20 Se38 -","20","2.5","","Urland, W.; Plambeck-Fischer, P.; Grupe, M.","Darstellung und Kristallstruktur von Nd Se1.9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","261","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7223633","21.2904","0.0004","21.2904","0.0004","19.3576","0.0007","90","","90","","90","","8774.4","0.4","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Eu4 N O37 -","- C83 H75 Eu4 N O37 -","- C332 H300 Eu16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0478","0.0306","","","0.0723","0.0778","","","","","","1.048","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223634","21.2232","0.0006","21.2232","0.0006","19.346","0.0011","90","","90","","90","","8713.9","0.6","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Gd4 N O37 -","- C83 H75 Gd4 N O37 -","- C332 H300 Gd16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0438","0.0329","","","0.0825","0.0874","","","","","","1.071","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223635","21.1619","0.0009","21.1619","0.0009","19.2599","0.0015","90","","90","","90","","8625.1","0.8","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Dy4 N O37 -","- C83 H75 Dy4 N O37 -","- C332 H300 Dy16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0568","0.0366","","","0.085","0.0917","","","","","","1.033","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7224667","15.103","0.0003","15.103","0.0003","10.0955","0.0004","90","","90","","90","","2302.79","0.11","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H20 N4 O18 Ru4 -","- C32 H16 N4 O18 Ru4 -","- C64 H32 N8 O36 Ru8 -","2","0.25","","Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration","RSC Adv.","2016","","","","","10.1039/C6RA02558G","","","0.71073","MoKα","","0.0464","0.0321","","","0.0917","0.1047","","","","","","1.116","","","","has coordinates","178867","2020-10-21","18:00:00",""
"7224670","15.341","0.004","15.341","0.004","9.98","0.006","90","","90","","90","","2348.8","1.7","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C40 H28 N8 O16 Ru4 -","- C40 H28 N8 O16 Ru4 -","- C80 H56 N16 O32 Ru8 -","2","0.25","","Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration","RSC Adv.","2016","","","","","10.1039/C6RA02558G","","","0.71073","MoKα","","0.0412","0.034","","","0.0796","0.0834","","","","","","1.122","","","","has coordinates","178867","2020-10-21","18:00:00",""
"7224671","15.103","0.0003","15.103","0.0003","10.0955","0.0004","90","","90","","90","","2302.79","0.11","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H16 N4 O16 Ru4 -","- C32 H16 N4 O16 Ru4 -","- C64 H32 N8 O32 Ru8 -","2","0.25","","Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration","RSC Adv.","2016","","","","","10.1039/C6RA02558G","","","0.71073","MoKα","","0.0501","0.0359","","","0.1143","0.1284","","","","","","1.148","","","","has coordinates","178867","2020-10-21","18:00:00",""
"7226728","16.6796","0.0002","16.6796","0.0002","11.9659","0.0002","90","","90","","90","","3329.02","0.08","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C60 H84 N4 O12 S8 -","- C60 H80 N4 O12 S8 -","- C120 H160 N8 O24 S16 -","2","0.25","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0743","0.0523","","","0.1536","0.1763","","","","","","1.052","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7229635","25.4312","0.00012","25.4312","0.00012","6.06772","0.00003","90","","90","","90","","3924.27","0.03","293","","293","","","","","","","","","4","P 42/n :2","-P 4bc","86","C12 H22 N4 O2, C6 H6 O2","","","- C18 H28 N4 O4 -","- C18 H28 N4 O4 -","- C144 H224 N32 O32 -","8","1","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","powder diffraction","","1.5418","CuKα","","","","","","","","","2.7267","9.52","","","","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7234993","14.9197","0.0008","14.9197","0.0008","18.2151","0.001","90","","90","","90","","4054.6","0.4","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C22 H26 K N O3 -","- C22 H26 K N O3 -","- C176 H208 K8 N8 O24 -","8","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0585","0.0382","","","0.0854","0.0958","","","","","","1.022","","","","has coordinates","223459","2020-10-21","18:00:00",""
"7236501","14.4901","0.0003","14.4901","0.0003","17.3192","0.0007","90","","90","","90","","3636.39","0.18","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","[tetrakis(p-cymene)tetrakis(mu-cytosinato-kN1:kO2,kN3)tetraruthenium(II)] triflate","","- C60 H72 F12 N12 O16 Ru4 S4 -","- C60 H72 F12 N12 O16 Ru4 S4 -","- C120 H144 F24 N24 O32 Ru8 S8 -","2","0.25","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0685","0.0579","","","0.1379","0.146","","","","","","1.041","","","","has coordinates,has disorder","235620","2020-10-21","18:00:00",""
"7236984","23.179","0.003","23.179","0.003","7.6814","0.0015","90","","90","","90","","4127","1.1","153","2","153.15","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C22 H19 B2 F4 N O4 -","- C22 H19 B2 F4 N O4 -","- C176 H152 B16 F32 N8 O32 -","8","1","","Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng","Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state","Journal of Materials Chemistry C","2017","5","47","12538","","10.1039/C7TC04751G","","","0.71073","MoKα","","0.0955","0.091","","","0.1412","0.1425","","","","","","1.392","","","","has coordinates","236691","2020-10-21","18:00:00",""
"7237050","35.191","0.002","35.191","","4.3928","0.0003","90","","90","","90","","5440.1","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 42/n :2","-P 4bc","86","","","","- C14 H6 F6 N2 Se -","- C14 H6 F6 N2 Se -","- C224 H96 F96 N32 Se16 -","16","2","","Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri","Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C–H bond arylations","Journal of Materials Chemistry C","2018","6","7","1731","","10.1039/C7TC05395A","","x-ray","0.71073","MoKα","","0.0757","0.0614","","","0.1337","0.141","","","","","","1.09","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237167","10.3883","0.0003","10.3883","0.0003","10.0967","0.0008","90","","90","","90","","1089.6","0.1","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate","diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate","","- C4 H16 Cl2 Cu N20 O10 -","- C4 H16 Cl2 Cu N20 O10 -","- C8 H32 Cl4 Cu2 N40 O20 -","2","0.25","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0494","0.0389","","","0.0991","0.1049","","","","","","1.058","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237258","12.9865","0.0007","12.9865","0.0007","6.7777","0.0009","90","","90","","90","","1143.05","0.18","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C4 Ag5 Cl N20 O12 -","- C4 Ag5 Cl N20 O12 -","- C8 Ag10 Cl2 N40 O24 -","2","0.25","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0687","0.0335","","","0.0471","0.0536","","","","","","1.037","","","","has coordinates,has disorder","237535","2020-10-21","18:00:00",""
"7239271","14.4216","0.0004","14.4216","0.0004","14.764","0.0008","90","","90","","90","","3070.7","0.2","273","2","273","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C10.25 H12 Cu N O5 -","- C10.25 H12 Cu N O5 -","- C82 H96 Cu8 N8 O40 -","8","1","","Yang, Weiting; Yi, Fei-Yan; Li, Xiao-Dong; Wang, Lei; Dang, Song; Sun, Zhong-Ming","Construction of Cu(ii) coordination polymers based on semi-rigid tetrahedral pyridine ligands","RSC Advances","2013","3","47","25065","","10.1039/c3ra44348e","","","0.71073","MoKα","","0.074","0.0488","","","0.1676","0.191","","","","","","1.06","","","","has coordinates","244629","2020-10-21","18:00:00",""
"7241646","13.4684","0.0005","13.4684","0.0005","8.2997","0.0006","90","","90","","90","","1505.55","0.13","296","2","296","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C3 H16 B2 N2 -","- C3 H16 B2 N2 -","- C24 H128 B16 N16 -","8","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0411","0.0351","","","0.1015","0.1106","","","","","","0.652","","","","has coordinates","301870","2025-08-22","22:41:59",""
"7242648","16.2772","0.0002","16.2772","0.0002","17.3126","0.0002","90","","90","","90","","4586.93","0.1","100","1","100","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C46 H38 Cl4 Cu2 N4 O8 -","- C46 H38 Cl4 Cu2 N4 O8 -","- C184 H152 Cl16 Cu8 N16 O32 -","4","0.5","","Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James","Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes","RSC Advances","2021","11","22","13475","13485","10.1039/D1RA00339A","","x-ray","1.54178","CuKα","K-L~3~","0.0659","0.0648","","","0.1729","0.1745","","","","","","1.094","","","","has coordinates,has disorder","264071","2021-04-13","04:12:27",""
"7243657","22.271","0.002","22.271","0.002","12.529","0.0016","90","","90","","90","","6214.4","1.1","295","2","295","","","","","","","","","5","P 42/n :2","-P 4bc","86","","Ni4AQ","","- C124 H108 N4 Ni O8 -","- C124 H108 N4 Ni O8 -","- C248 H216 N8 Ni2 O16 -","2","0.25","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","","1.54178","CuKα","","0.1197","0.0972","","","0.2893","0.3111","","","","","","1.189","","","","has coordinates,has disorder","271162","2021-12-07","02:55:25",""
"7244354","14.1375","0.0005","14.1375","0.0005","12.863","0.0005","90","","90","","90","","2570.91","0.16","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Cl4 N4 -","- C28 H18 Cl4 N4 -","- C112 H72 Cl16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.119","0.0467","","","0.0897","0.1087","","","","","","1.008","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244355","14.2289","0.0006","14.2289","0.0006","13.1662","0.0008","90","","90","","90","","2665.6","0.2","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Br4 N4 -","- C28 H18 Br4 N4 -","- C112 H72 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0584","0.0332","","","0.0781","0.0871","","","","","","1.012","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244870","14.33058","0.00003","14.33058","0.00003","8.35856","0.00002","90","","90","","90","","1716.56","0.007","150","","150","","","","","","","","synthesized","5","P 42/n :2","-P 4bc","86","","","","- C56 H72 N8 O20 Si2 -","- C56 H72 N8 O20 Si2 -","- C56 H72 N8 O20 Si2 -","1","0.125","","Ennis, Courtney; Appadoo, Dominique R. T.; Boer, Stephanie A.; White, Nicholas G.","Vibrational mode analysis of hydrogen-bonded organic frameworks (HOFs): synchrotron infrared studies","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00796G","","","1.54184","CuKα","","0.0955","0.0938","","0.2334","0.2318","0.1977","","","","","","1.0673","","","","has coordinates,has disorder","274733","2022-04-28","00:59:50",""
"7245084","21.6778","0.0004","21.6778","0.0004","7.4426","0.0002","90","","90","","90","","3497.48","0.13","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Mn2 N16 P -","- C88 H52 Cl4 Mn2 N16 P -","- C176 H104 Cl8 Mn4 N32 P2 -","2","0.25","","Mine, Kosuke; Yamaguchi, Masayuki; Murakawa, Hiroshi; Hanasaki, Noriaki; Matsuda, Masaki","A large negative magnetoresistance effect in semiconducting crystals composed of an octahedrally ligated phthalocyanine complex with high-spin manganese(iii)","RSC Advances","2022","12","28","17944","17949","10.1039/D2RA00188H","","x-ray","0.71073","MoKα","","0.0715","0.042","","","0.1213","0.1402","","","","","","0.931","","","","has coordinates","276089","2022-06-18","01:09:26",""
"7248261","26.7541","0.0006","26.7541","0.0006","9.3946","0.0003","90","","90","","90","","6724.5","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C216 H312 Mo10.8 N24 Re13.2 S32 -","4","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0473","0.0369","","","0.066","0.0691","","","","","","1.161","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7250260","10.4847","0.0003","10.4847","0.0003","14.8469","0.0007","90","","90","","90","","1632.1","0.1","391","","391","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C6 H16 B3 F12 N3.9 P1.1 -","- C6 H16 B3 F12 N3.902 P1.098 -","- C24 H64 B12 F48 N15.608 P4.392 -","4","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0796","0.0638","","","0.199","0.222","","","","","","1.093","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250270","10.3573","0.0001","10.3573","0.0001","14.6992","0.0003","90","","90","","90","","1576.84","0.04","233","","233","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C8 H24.02 B4 F16 N5.34 P1.32 -","- C8 H24.0213 B4 F16 N5.344 P1.32267 -","- C24 H72.064 B12 F48 N16.032 P3.968 -","3","0.375","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0622","0.0588","","","0.1593","0.1635","","","","","","1.07","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250758","27.5833","0.0003","27.5833","0.0003","14.4559","0.0003","90","","90","","90","","10998.6","0.3","294","","294","2","","","","","","","","5","P 42/n :2","-P 4bc","86","UA-2","di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea","","- C45.62 H63.17 N9.92 O9.92 Zn -","- C26 H20 N6 O6 Zn -","- C208 H160 N48 O48 Zn8 -","8","1","","Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.","Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control","RSC Advances","2025","15","34","27531","27543","10.1039/D5RA02649K","","x-ray","1.54184","CuKα","","0.0646","0.0558","","","0.1942","0.204","","","","","","1.104","","","","has coordinates","301437","2025-08-02","01:20:57",""
"7701516","35.001","0.009","35.001","","10.84","0.003","90","","90","","90","","13280","5","200","2","200.15","","","","","","","","","4","P 42/n :2","-P 4bc","86","Co(Aracac)2(THF)2-cis","","","- C70 H86 Co O6 -","- C70 H86 Co O6 -","- C560 H688 Co8 O48 -","8","1","","Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.","Sterically encumbered β-diketonates and base metal catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10714","10722","10.1039/c9dt02293g","","","0.71073","MoKα","","0.0585","0.0471","","","0.1099","0.1162","","","","","","1.078","","","","has coordinates,has disorder","301878","2025-08-22","23:10:55",""
"7701518","34.764","0.004","34.764","0.004","10.7447","0.0014","90","","90","","90","","12985","3","100","2","100.01","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C70 H86 Ni O6 -","- C70 H86 Ni O6 -","- C560 H688 Ni8 O48 -","8","1","","Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.","Sterically encumbered β-diketonates and base metal catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10714","10722","10.1039/c9dt02293g","","","0.71073","MoKα","","0.0476","0.0366","","","0.0896","0.0952","","","","","","1.018","","","","has coordinates","301878","2025-08-22","23:10:55",""
"7701618","17.0555","0.0001","17.0555","0.0001","10.2235","0.0001","90","","90","","90","","2973.91","0.04","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C15 H16 B Br2 N -","- C15 H16 B Br2 N -","- C120 H128 B8 Br16 N8 -","8","1","","Pammer, Frank; Schepper, Jonas; Glöckler, Johannes; Sun, Yu; Orthaber, Andreas","Expansion of the scope of alkylboryl-bridged N → B-ladder boranes: new substituents and alternative substrates.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10298","10312","10.1039/c9dt01555h","","","1.54184","CuKα","","0.0243","0.0219","","","0.0539","0.0553","","","","","","1.051","","","","has coordinates","301878","2025-08-22","23:10:55",""
"7701623","17.8083","0.00009","17.8083","0.00009","19.49485","0.00015","90","","90","","90","","6182.51","0.06","200","","200","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C60 H76 B2 Mg O6 S6 -","- C60 H76 B2 Mg O6 S6 -","- C240 H304 B8 Mg4 O24 S24 -","4","0.5","","Sakiyama, Hiroshi; Shomura, Kaoru; Ito, Misaki; Waki, Katsushi; Yamasaki, Mikio","The crystal structure of [Mg(dmso)<sub>6</sub>][BPh<sub>4</sub>]<sub>2</sub> and the formation mechanism of the conformer on the basis of conformational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10174","10179","10.1039/c9dt02173f","","","1.54184","CuKα","","0.037","0.0355","","","0.097","0.0982","","","","","","1.036","","","","has coordinates,has disorder","223321","2020-10-21","18:00:00",""
"7702842","15.857","0.022","15.857","0.022","33.28","0.041","90","","90","","90","","8368","19","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C72 H63 Cu F12 N3 O6 P8 -","- C72 H63 Cu F12 N3 O6 P8 -","- C288 H252 Cu4 F48 N12 O24 P32 -","4","0.5","","Liu, Huizhang; José Calhorda, Maria; Drew, Michael G. B.; Félix, Vitor; Novosad, Josef; Veiros, Luís F.; Fabrizi de Biani, Fabrizia; Zanello, Piero","New Cu(i) and Ag(i) binuclear complexes containing the dppa ligand","J. Chem. Soc., Dalton Trans.","2002","","23","4365","","10.1039/B205922N","","","0.71073","MoKα","","0.2332","0.1011","","","0.2643","0.3151","","","","","","0.985","","","","has coordinates","301878","2025-08-22","23:10:57",""
"7703241","21.8277","0.0004","21.8277","0.0004","7.6152","0.0001","90","","90","","90","","3628.25","0.11","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Cl4 Fe2 N8 P -","- C96 H60 Cl4 Fe2 N8 P -","- C192 H120 Cl8 Fe4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.1063","0.0727","","","0.204","0.2425","","","","","","1.588","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703242","21.5677","0.0004","21.5677","0.0004","7.5411","0.0001","90","","90","","90","","3507.86","0.1","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Co2 N16 P -","- C88 H52 Cl4 Co2 N16 P -","- C176 H104 Cl8 Co4 N32 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0622","0.0524","","","0.1588","0.1674","","","","","","1.241","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703243","21.5347","0.0004","21.5347","0.0004","7.6345","0.0001","90","","90","","90","","3540.45","0.1","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Br4 Co2 N16 P -","- C88 H52 Br4 Co2 N16 P -","- C176 H104 Br8 Co4 N32 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0582","0.052","","","0.1573","0.1627","","","","","","1.19","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703244","21.6858","0.0004","21.6858","0.0004","7.5871","0.0001","90","","90","","90","","3568.02","0.1","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Cl4 Co2 N8 P -","- C96 H60 Cl4 Co2 N8 P -","- C192 H120 Cl8 Co4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0673","0.0557","","","0.1729","0.1816","","","","","","1.35","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703245","21.5443","0.0004","21.5443","0.0004","7.5258","0.0001","90","","90","","90","","3493.15","0.1","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Cl4 Co2 N8 P -","- C96 H60 Cl4 Co2 N8 P -","- C192 H120 Cl8 Co4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0594","0.0508","","","0.1581","0.1651","","","","","","1.285","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703246","21.4211","0.0004","21.4211","0.0004","7.6146","0.0001","90","","90","","90","","3494.06","0.1","111","2","111","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Br4 Co2 N8 P -","- C96 H60 Br4 Co2 N8 P -","- C192 H120 Br8 Co4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0605","0.0527","","","0.1697","0.177","","","","","","1.339","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703247","21.6659","0.0004","21.6659","0.0004","7.5523","0.0001","90","","90","","90","","3545.13","0.1","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Cl4 Fe2 N8 P -","- C96 H60 Cl4 Fe2 N8 P -","- C192 H120 Cl8 Fe4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0773","0.0616","","","0.1854","0.1984","","","","","","1.433","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703248","21.5389","0.0004","21.5389","0.0004","7.6686","0.0001","90","","90","","90","","3557.65","0.1","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Br4 Co2 N8 P -","- C96 H60 Br4 Co2 N8 P -","- C192 H120 Br8 Co4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0672","0.0524","","","0.1642","0.1769","","","","","","1.227","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703249","21.5815","0.0004","21.5815","0.0004","7.533","0.0001","90","","90","","90","","3508.58","0.1","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Fe2 N16 P -","- C88 H52 Cl4 Fe2 N16 P -","- C176 H104 Cl8 Fe4 N32 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0464","0.042","","","0.1442","0.15","","","","","","1.261","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703250","21.5372","0.0004","21.5372","0.0004","7.6257","0.0001","90","","90","","90","","3537.19","0.1","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Br4 Fe2 N16 P -","- C88 H52 Br4 Fe2 N16 P -","- C176 H104 Br8 Fe4 N32 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0568","0.0512","","","0.1472","0.154","","","","","","1.103","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703541","19.531","0.0011","19.531","0.0011","7.6932","0.0004","90","","90","","90","","2934.6","0.3","100","2","100.15","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C7 H12 Au Cl5 N2 -","- C7 H12 Au Cl5 N2 -","- C56 H96 Au8 Cl40 N16 -","8","1","","Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats","Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3473","3479","10.1039/c9dt04472h","","","0.71073","MoKα","","0.0439","0.0283","","","0.0506","0.0539","","","","","","1.031","","","","has coordinates","250308","2020-10-21","18:00:00",""
"7703603","13.9995","0.0001","13.9995","0.0001","13.7306","0.0002","90","","90","","90","","2691.01","0.05","122.98","0.1","122.98","0.1","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C11 H23 Al N2 -","- C11 H23 Al N2 -","- C88 H184 Al8 N16 -","8","1","","Chernysheva, Anna M.; Weinhart, Michael; Scheer, Manfred; Timoshkin, Alexey Y.","Normal to abnormal I<sup>t</sup>Bu·AlH<sub>3</sub> isomerization in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4665","4668","10.1039/c9dt04698d","","x-ray","1.54184","CuKα","","0.033","0.0317","","","0.0867","0.0877","","","","","","1.047","","","","has coordinates","251659","2020-10-21","18:00:00",""
"7704125","18.3236","0.0005","18.3236","0.0005","15.2023","0.0008","90","","90","","90","","5104.2","0.3","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H84 Cu4 F48 N8 O20 -","- C76 H84 Cu4 F48 N8 O20 -","- C152 H168 Cu8 F96 N16 O40 -","2","0.25","","Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6280","6294","10.1039/d0dt00541j","","","0.71073","MoKα","","0.0474","0.0428","","","0.1079","0.1126","","","","","","1.034","","","","has coordinates","301878","2025-08-22","23:11:00",""
"7706032","32.1017","0.0003","32.1017","0.0003","19.7408","0.0004","90","","90","","90","","20343.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C82.5 H85 Dy4 N6 O29.5 P6 -","- C80 H69 Dy4 N6 O24 P6 -","- C640 H552 Dy32 N48 O192 P48 -","8","1","","Tian, Haiquan; Huang, Fu-Ping; Li, Yongfei; Chen, Peiqiong; Chai, Keyu; Lu, Jing; Liu, Hou-Ting; Zeng, Suyuan; Li, Dacheng; Dou, Jianmin","Ring-forming transformation associated with hydrazone changes of hexadecanuclear dysprosium phosphonates.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1119","1125","10.1039/d0dt03536j","","","0.71073","MoKα","","0.0911","0.0559","","","0.1498","0.2169","","","","","","0.876","","","","has coordinates,has disorder","261694","2021-02-04","23:19:15",""
"7706458","14.9237","0.0004","14.9237","0.0004","7.6656","0.0003","90","","90","","90","","1707.26","0.09","100","0.11","100","0.11","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C4 H6 N6 O3 -","- C4 H6 N6 O3 -","- C32 H48 N48 O24 -","8","1","","Tang, Yongxing; Li, Kejia; Chinnam, Ajay Kumar; Staples, Richard J.; Shreeve, Jean'ne M.","Mono-N-oxidation of heterocycle-fused pyrimidines.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2143","2148","10.1039/d0dt03260c","","x-ray","1.54184","CuKα","","0.067","0.0613","","","0.1468","0.1497","","","","","","1.144","","","","has coordinates","262644","2021-03-05","02:05:15",""
"7709684","14.3814","0.0002","14.3814","0.0002","18.3531","0.0004","90","","90","","90","","3795.87","0.11","93","","93","","","","","","","","","5","P 42/n :2","-P 4bc","86","","cobalt(II) bis(5H-2.2':6',2""-terpyridine-5,5""-diyl biscarboxylato)","","- C34 H20 Co N6 O8 -","- C34 H20 Co N6 O8 -","- C136 H80 Co4 N24 O32 -","4","0.5","","KANETOMO, Takuya; Ni, Zhen; Enomoto, Masaya","Hydrogen-Bonded Cobalt(II)-Organic Framework: Normal and Reverse Spin-Crossover Behaviours","Dalton Transactions","2022","","","","","10.1039/D2DT00453D","","x-ray","0.71073","MoKα","","0.0374","0.0311","","","0.0807","0.083","","","","","","1.05","","","","has coordinates","273538","2022-03-08","23:49:24",""
"7709941","15.3937","0.0005","15.3937","0.0005","16.7614","0.0005","90","","90","","90","","3971.9","0.2","153","2","153","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C30 H66 Al2 N12 -","- C30 H66 Al2 N12 -","- C120 H264 Al8 N48 -","4","0.5","","Schumann, Erik; Böhme, Uwe; Brendler, Erica; Mertens, Florian","Synthesis and temperature-dependent NMR studies of monomeric and dimeric tris(dialkylamido)alanes","Dalton Transactions","2022","","","","","10.1039/D2DT00508E","","","0.71073","MoKα","","0.0432","0.0352","","","0.0889","0.0963","","","","","","1.066","","","","has coordinates","274419","2022-04-07","22:54:50",""
"7712834","36.0111","0.0003","36.0111","0.0003","12.1108","0.0002","90","","90","","90","","15705.3","0.3","100","","100","","","","","","","","","5","P 42/n :2","-P 4bc","86","","1","","- C26 H56 Br2 Fe Si8 -","- C26 H56 Br2 Fe Si8 -","- C416 H896 Br32 Fe16 Si128 -","16","2","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","1.54178","CuKα","","0.0536","0.0473","","","0.1249","0.1295","","","","","","1.035","","","","has coordinates","282755","2023-04-19","23:57:19",""
"7715796","17.524","0.0013","17.524","0.0013","23.496","0.0017","90","","90","","90","","7215.4","0.9","102","","102","","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C54 H57.6 B4 Cl8 Dy2 N24 O5.8 S2 -","- C54 H54 B4 Cl8 Dy2 N24 O4 S2 -","- C216 H216 B16 Cl32 Dy8 N96 O16 S8 -","4","0.5","","Manna, Fabio; Oggianu, Mariangela; Galán-Mascarós, José Ramón; Pop, Flavia; Le Guennic, Boris; Mercuri, Maria Laura; Avarvari, Narcis","Tuning the slow magnetic relaxation with the substituents in anilate bridged bis(dysprosium) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8369","8381","10.1039/d4dt00175c","","","0.71073","MoKα","","0.0435","0.0307","","","0.0691","0.0761","","","","","","1.029","","","","has coordinates","293064","2024-07-05","16:23:04",""
"7715886","14.0492","0.0004","14.0492","0.0004","10.1802","0.0003","90","","90","","90","","2009.37","0.1","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H43 B17 Mg N4 O30 -","- B17 Mg O30 -","- B34 Mg2 O60 -","2","0.25","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8112","8117","10.1039/d3dt04048h","","x-ray","0.71073","MoKα","","0.0682","0.0587","","","0.1615","0.1668","","","","","","1.085","","","","has coordinates","293051","2024-07-05","16:17:17",""
"7718231","17.3092","0.0004","17.3092","0.0004","9.1504","0.0003","90","","90","","90","","2741.54","0.13","302","","302","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- Cs2 I8 O21 Pb24 -","- Cs2 I8 O21 Pb24 -","- Cs4 I16 O42 Pb48 -","2","0.25","","Maimaiti, Mayinuer; Yan, Yuchen; Wu, Jinche; Han, Tingwen; Xie, Jing; Zhang, Min","3Pb<sub>8</sub>O<sub>7</sub>I<sub>2</sub>·2CsI: the salt-inclusion strategy enriches the structural chemistry in lead oxyhalides.","Dalton transactions (Cambridge, England : 2003)","2025","54","4","1370","1376","10.1039/d4dt03212h","","","0.71073","MoKα","","0.0313","0.023","","","0.049","0.0537","","","","","","0.9862","","","","has coordinates","297962","2025-03-04","05:13:18",""
"7718759","26.271","0.006","26.271","0.006","12.344","0.003","90","","90","","90","","8519","3","143","2","143","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C47 H61 Li N2 O4 -","- C47 H61 Li N2 O4 -","- C376 H488 Li8 N16 O32 -","8","1","","Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Impact of ether coordination on the solid-state luminescence of a lithium β-diketiminate complex.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9219","9225","10.1039/d5dt00954e","","","0.71075","MoKα","","0.0847","0.075","","","0.1864","0.194","","","","","","1.113","","","","has coordinates,has disorder","300948","2025-07-06","16:53:52",""
"7719562","20.9684","0.0001","20.9684","0.0001","9.6749","0.0001","90","","90","","90","","4253.8","0.05","100","0.1","100","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C42 H46 Ag2 B2 F8 N6 -","- C42 H46 Ag2 B2 F8 N6 -","- C168 H184 Ag8 B8 F32 N24 -","4","0.5","","Bavaresco, Sofia Teixeira; Marquard, Nina P.; Miura-Stempel, Emily; Mohsen, Mariana G.; Campbell, Michael G.","A systematic study of naphthyridine-derived ligands for well-defined silver(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2025","54","36","13651","13657","10.1039/d5dt01626f","","x-ray","1.54184","CuKα","","0.035","0.0324","","","0.0817","0.0839","","","","","","1.088","","","","has coordinates,has disorder","302376","2025-10-04","18:49:24",""
"8000117","21.501","0.011","21.501","0.011","7.537","0.004","90","","90","","90","","3484","3","123.1","","","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Co2 N16 P -","- C88 H52 Cl4 Co2 N16 P -","- C176 H104 Cl8 Co4 N32 P2 -","2","0.25","","Yu, Derrick Etherbert C.; Imai, Hiroyuki; Ushio, Mamoru; Takeda, Sayaka; Naito, Toshio; Inabe, Tamotsu","One-step Synthesis of Partially Oxidized Cobalt(III) Phthalocyanine Salts with Axial Ligands","Chemistry Letters","2006","35","6","602","","10.1246/cl.2006.602","","","0.71075","MoKα","","","0.0309","","","","0.0869","","","","","","0.986","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000118","21.4119","0.0019","21.4119","0.0019","7.6088","0.0007","90","","90","","90","","3488.4","0.5","123.1","","","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Br4 Co2 N16 P -","- C88 H52 Br4 Co2 N16 P -","- C176 H104 Br8 Co4 N32 P2 -","2","0.25","","Yu, Derrick Etherbert C.; Imai, Hiroyuki; Ushio, Mamoru; Takeda, Sayaka; Naito, Toshio; Inabe, Tamotsu","One-step Synthesis of Partially Oxidized Cobalt(III) Phthalocyanine Salts with Axial Ligands","Chemistry Letters","2006","35","6","602","","10.1246/cl.2006.602","","","0.71075","MoKα","","","0.0481","","","","0.1096","","","","","","1","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100026","13.885","0.002","13.885","0.002","14.833","0.003","90","","90","","90","","2859.8","0.9","446","2","446","2","","","","","","","","3","P 42/n :2","-P 4bc","86","cis-(5E)-phenylmethylidenedecahydro-4aH-benzo[a]cyclohepten-4a-ol","","","- C18 H24 O -","- C18 H24 O -","- C144 H192 O8 -","8","1","","Hölemann, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of cis-(5 E)-phenylmethylidene-decahydro-4a H-benzo [a]-cyclohepten-4a-ol, C~18~H~24~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","59","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","301880","2025-08-22","23:45:42",""
"8101304","9.143","0.001","9.143","0.001","16.624","0.003","90","","90","","90","","1389.7","0.4","293","2","293","2","","","","","","","","2","P 42/n :2","-P 4bc","86","Samarium Selenide SmSe1.9","","","- Se1.9 Sm -","- Se1.9 Sm -","- Se38 Sm20 -","20","2.5","","Dashjav, E.; Doert, Th.; Böttcher, P.; Mattausch, Hj.; Oeckler, O.","Crystal structure of samarium selenide, SmSe~1.90~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","337","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102144","15.325","0.001","15.325","0.001","10.505","0.0006","90","","90","","90","","2467.2","0.3","191","2","191","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","tetra-μ~3~-bromo-tetrakis(tert-butyl-(4-methyl-pyridin-2-yl)-amine)- tetracopper(I)","","- C40 H64 Br4 Cu4 N8 -","- C40 H64 Br4 Cu4 N8 -","- C80 H128 Br8 Cu8 N16 -","2","0.25","","Glatz, Germund; Irrgang, Torsten; Kempe, Rhett","Crystal structure of tetra-μ~3~-bromo-tetrakis(tert-butyl- (4-methyl-pyridin-2-yl)-amine)-tetracopper(I), Cu~4~Br~4~(C~10~H~16~N~2~) ~4~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","261","262","","","","0.71069","MoKα","","0.0762","0.0556","","","0.1492","0.1615","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102454","15.646","0.001","15.646","0.001","8.2024","0.0005","90","","90","","90","","2007.9","0.2","233","2","233","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C10 H24 F6 N6 O8 Si -","- C10 H24 F6 N6 O8 Si -","- C40 H96 F24 N24 O32 Si4 -","4","0.5","","Alexander Schwärzler; Klaus Wurst; Gerhard Laus; Ulrich J. Griesser; Günther Bonn; Herwig Schottenberger","Crystal structure of bis[(4R*,5R*)2-amino-4,5-trans-dihydroxy-1,3-dimethoxy-4,5-dihydroimidazolium] hexafluorosilicate, [C5H12N3O4]2[SiF6]","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","409","","","","","0.71073","MoKα","","0.0829","0.0519","","","0.1058","0.1173","","","","","","1.056","","","","has coordinates","301880","2025-08-22","23:45:47",""
"8103635","8.818","","8.818","","15.928","","90","","90","","90","","1238.52","","","","","","","","","","","","","2","P 42/n :2","-P 4bc","86","","Sm S1.9","","- S1.9 Sm -","- S1.9 Sm -","- S38 Sm20 -","20","2.5","","Tamazyan, R.; Kuz'micheva, G.M.; Arnold, H.; Molchanov, V.N.; Vasil'eva, I.G.","Contribution to the crystal chemistry of rare earth chalcogenides. III.The crystal structure and twinning of Sm S1.9","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","346","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000516","12.069","","12.069","","7.581","","90","","90","","90","","1104.25","","","","","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","Scapolite","- C0.5 Al4 Ca1.5 Cl0.5 Na2.5 O25.5 Si8 -","- C0.5 Al4 Ca1.5 Cl0.5 Na2.5 O25.5 Si8 -","- C Al8 Ca3 Cl Na5 O51 Si16 -","2","0.25","","Levien, L.; Papike, J. J.","Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group disorder, and thermal expansion before heating","American Mineralogist","1976","61","","864","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000517","12.082","","12.082","","7.576","","90","","90","","90","","1105.91","","","","","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","Scapolite","- C0.5 Al4 Ca1.5 Cl0.5 Na2.5 O25.5 Si8 -","- C0.5 Al4 Ca1.5 Cl0.5 Na2.5 O25.5 Si8 -","- C Al8 Ca3 Cl Na5 O51 Si16 -","2","0.25","","Levien, L.; Papike, J. J.","Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group disorder, and thermal expansion after heating","American Mineralogist","1976","61","","864","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9001144","7.594","","7.594","","7.488","","90","","90","","90","","431.824","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","Stottite","- Fe Ge H6 O6 -","- Fe Ge H6 O6 -","- Fe4 Ge4 H24 O24 -","4","0.5","","Ross, C. R.; Bernstein, L. R.; Waychunas, G. A.","Crystal-structure refinement of stottite, FeGe(OH)6","American Mineralogist","1988","73","","657","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:16",""
"9004498","12.0416","","12.0416","","7.581","","90","","90","","90","","1099.25","","","","","","","","","","","","","8","P 42/n :2","-P 4bc","86","","","Scapolite","- Al3.68 Ca0.92 Cl0.82 K0.16 Na2.92 O24.72 S0.18 Si8.32 -","- Al3.68 Ca0.92 Cl0.82 K0.16 Na2.92 O24.72 S0.18 Si8.32 -","- Al7.36 Ca1.84 Cl1.64 K0.32 Na5.84 O49.44 S0.36 Si16.64 -","2","0.25","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: PAM-22","The Canadian Mineralogist","1998","36","","1267","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004499","12.0642","","12.0642","","7.5796","","90","","90","","90","","1103.17","","","","","","","","","","","","","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C0.12 Al3.84 Ca1.12 Cl0.7 K0.24 Na2.64 O25.84 S0.1 Si8.16 -","- C0.12 Al3.84 Ca1.12 Cl0.7 K0.24 Na2.64 O25.84 S0.1 Si8.16 -","- C0.24 Al7.68 Ca2.24 Cl1.4 K0.48 Na5.28 O51.68 S0.2 Si16.32 -","2","0.25","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: TANZ","The Canadian Mineralogist","1998","36","","1267","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004500","12.0739","","12.0739","","7.5806","","90","","90","","90","","1105.09","","","","","","","","","","","","","8","P 42/n :2","-P 4bc","86","","","Scapolite","- Al3.92 Ca1.32 Cl0.58 K0.2 Na2.4 O24.52 S0.13 Si8.08 -","- Al3.92 Ca1.32 Cl0.58 K0.2 Na2.4 O24.52 S0.13 Si8.08 -","- Al7.84 Ca2.64 Cl1.16 K0.4 Na4.8 O49.04 S0.26 Si16.16 -","2","0.25","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: PAM-5","The Canadian Mineralogist","1998","36","","1267","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004501","12.0957","","12.0957","","7.573","","90","","90","","90","","1107.97","","","","","","","","","","","","","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C0.24 Al4.24 Ca1.84 Cl0.47 K0.08 Na2 O27.24 S0.09 Si7.76 -","- C0.24 Al4.24 Ca1.84 Cl0.47 K0.08 Na2 O27.24 S0.09 Si7.76 -","- C0.48 Al8.48 Ca3.68 Cl0.94 K0.16 Na4 O54.48 S0.18 Si15.52 -","2","0.25","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: MAD","The Canadian Mineralogist","1998","36","","1267","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004502","12.1224","","12.1224","","7.511","","90","","90","","90","","1103.76","","","","","","","","","","","","","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C0.15 Al4.56 Ca2.24 Cl0.28 K0.16 Na1.52 O28.08 S0.57 Si7.44 -","- C0.15 Al4.56 Ca2.24 Cl0.28 K0.16 Na1.52 O28.08 S0.57 Si7.44 -","- C0.3 Al9.12 Ca4.48 Cl0.56 K0.32 Na3.04 O56.16 S1.14 Si14.88 -","2","0.25","","Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.","Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: MIN","The Canadian Mineralogist","1998","36","","1267","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004680","9.809","","9.809","","9.844","","90","","90","","90","","947.155","","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","Aminoffite","- Be2 Ca3 H2 O12 Si3 -","- Be2 Ca3 H2 O12 Si3 -","- Be8 Ca12 H8 O48 Si12 -","4","0.5","","Huminicki, D. M. C.; Hawthorne, F. C.","Refinement of the crystal structure of aminoffite","The Canadian Mineralogist","2002","40","","915","922","10.2113/gscanmin.40.3.915","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9013329","12.072","","12.072","","7.5854","","90","","90","","90","","1105.44","","","","","","","","","","","","Tanzania","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C0.17 Al3.76 Ca1.08 Cl0.76 K0.28 Na2.68 O36.79 S0.07 Si8.24 -","- C0.17 Al3.76 Ca1.08 Cl0.76 K0.28 Na2.68 O36.79 S0.07 Si8.24 -","- C0.34 Al7.52 Ca2.16 Cl1.52 K0.56 Na5.36 O73.58 S0.14 Si16.48 -","2","0.25","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Tanzania Note: S7","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013330","12.0753","","12.0753","","7.5864","","90","","90","","90","","1106.19","","","","","","","","","","","","Madagascar","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C0.72 Al3.8 Ca1.16 Cl0.73 K0.28 Na2.56 O46.52 S0.09 Si8.2 -","- C0.72 Al3.8 Ca1.16 Cl0.73 K0.28 Na2.56 O46.52 S0.09 Si8.2 -","- C1.44 Al7.6 Ca2.32 Cl1.46 K0.56 Na5.12 O93.04 S0.18 Si16.4 -","2","0.25","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Madagascar Note: S8","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013331","12.0793","","12.0793","","7.5842","","90","","90","","90","","1106.61","","","","","","","","","","","","Pamir, Tajikistan","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C1.04 Al3.84 Ca1.28 Cl0.63 K0.2 Na2.52 O47.56 S0.11 Si8.16 -","- C1.04 Al3.84 Ca1.28 Cl0.63 K0.2 Na2.52 O47.56 S0.11 Si8.16 -","- C2.08 Al7.68 Ca2.56 Cl1.26 K0.4 Na5.04 O95.12 S0.22 Si16.32 -","2","0.25","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S9","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013332","12.0915","","12.0915","","7.5841","","90","","90","","90","","1108.83","","","","","","","","","","","","Monte Somma, Italy","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C1.52 Al4.16 Ca1.68 Cl0.48 K0.16 Na2.16 O45.12 S0.14 Si7.84 -","- C1.52 Al4.16 Ca1.68 Cl0.48 K0.16 Na2.16 O45.12 S0.14 Si7.84 -","- C3.04 Al8.32 Ca3.36 Cl0.96 K0.32 Na4.32 O90.24 S0.28 Si15.68 -","2","0.25","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Monte Somma, Italy Note: S10","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013333","12.0972","","12.0972","","7.5814","","90","","90","","90","","1109.48","","","","","","","","","","","","Madagascar","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C1.8 Al4.24 Ca1.84 Cl0.46 K0.08 Na2.08 O45.76 S0.09 Si7.76 -","- C1.8 Al4.24 Ca1.84 Cl0.46 K0.08 Na2.08 O45.76 S0.09 Si7.76 -","- C3.6 Al8.48 Ca3.68 Cl0.92 K0.16 Na4.16 O91.52 S0.18 Si15.52 -","2","0.25","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Madagascar Note: S11","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013334","12.1338","","12.1338","","7.5755","","90","","90","","90","","1115.33","","","","","","","","","","","","Minden, Canada","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C2.32 Al4.56 Ca2.32 Cl0.28 K0.12 Na1.56 O47.52 S0.14 Si7.44 -","- C2.32 Al4.56 Ca2.32 Cl0.28 K0.12 Na1.56 O47.52 S0.14 Si7.44 -","- C4.64 Al9.12 Ca4.64 Cl0.56 K0.24 Na3.12 O95.04 S0.28 Si14.88 -","2","0.25","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Minden, Canada Note: S12","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013335","12.1498","","12.1498","","7.5681","","90","","90","","90","","1117.19","","","","","","","","","","","","Pargas, Finland","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C3.36 Al4.72 Ca2.68 Cl0.16 K0.08 Na1.24 O50.08 S Si7.28 -","- C3.36 Al4.72 Ca2.68 Cl0.16 K0.08 Na1.24 O50.08 S Si7.28 -","- C6.72 Al9.44 Ca5.36 Cl0.32 K0.16 Na2.48 O100.16 S2 Si14.56 -","2","0.25","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pargas, Finland Note: S13","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013336","12.152","","12.152","","7.5673","","90","","90","","90","","1117.47","","","","","","","","","","","","Bolton, USA","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C3.48 Al4.84 Ca2.76 Cl0.13 K0.04 Na1.2 O50.44 S Si7.16 -","- C3.48 Al4.84 Ca2.76 Cl0.13 K0.04 Na1.2 O50.44 S Si7.16 -","- C6.96 Al9.68 Ca5.52 Cl0.26 K0.08 Na2.4 O100.88 S2 Si14.32 -","2","0.25","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Bolton, USA Note: S14","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013337","12.1674","","12.1674","","7.5779","","90","","90","","90","","1121.88","","","","","","","","","","","","Sluydyanka, Russia","9","P 42/n :2","-P 4bc","86","","","Scapolite","- C2.76 Al5.12 Ca3.08 Cl0.02 K0.04 Na0.88 O53.44 S0.29 Si6.88 -","- C2.76 Al5.12 Ca3.08 Cl0.02 K0.04 Na0.88 O53.44 S0.29 Si6.88 -","- C5.52 Al10.24 Ca6.16 Cl0.04 K0.08 Na1.76 O106.88 S0.58 Si13.76 -","2","0.25","","Sokolova, E.; Hawthorne, F. C.","The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Sluydyanka, Russia Note: S15","The Canadian Mineralogist","2008","46","","1527","1554","10.3749/canmin.46.6.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013341","12.06503","","12.06503","","7.5836","","90","","90","","90","","1103.91","","","","298.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 25 C (HRPXRD) Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013342","12.0652","","12.0652","","7.5827","","90","","90","","90","","1103.81","","","","299.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 26 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013343","12.0749","","12.0749","","7.5814","","90","","90","","90","","1105.39","","","","378.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 105 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013344","12.0882","","12.0882","","7.5808","","90","","90","","90","","1107.74","","","","477.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 204 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013345","12.1025","","12.1025","","7.5804","","90","","90","","90","","1110.31","","","","578.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 305 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013346","12.1172","","12.1172","","7.58","","90","","90","","90","","1112.94","","","","678.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 405 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013347","12.1335","","12.1335","","7.5801","","90","","90","","90","","1115.96","","","","778.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 505 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013348","12.151","","12.151","","7.58","","90","","90","","90","","1119.16","","","","876.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 603 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013349","12.1673","","12.1673","","7.5799","","90","","90","","90","","1122.15","","","","975.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 702 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013350","12.1844","","12.1844","","7.5799","","90","","90","","90","","1125.31","","","","1074.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.24 Al3.56 Ca1.24 Cl0.76 Na2.76 O28 Si8.44 -","- C0.48 Al7.12 Ca2.48 Cl1.52 Na5.52 O56 Si16.88 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 801 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013351","12.1974","","12.1974","","7.5795","","90","","90","","90","","1127.65","","","","1175.15","","","","","","","","Monmouth Township, Ontario, Canada","7","P 42/n :2","-P 4bc","86","","","Marialite","- C0.24 Al4.48 Ca1.24 Cl0.76 Na2.76 O28 Si7.52 -","- C0.24 Al4.48 Ca1.24 Cl0.76 Na2.76 O28 Si7.52 -","- C0.48 Al8.96 Ca2.48 Cl1.52 Na5.52 O56 Si15.04 -","2","0.25","","Antao, S. M.; Hassan, I.","Increase in Al-Si and Na-Ca disorder with temperature in scapolite Me32.9 Note: T = 902 C Note: 32.9% Meionite, 67.1% Marialite","The Canadian Mineralogist","2008","46","","1577","1591","10.3749/canmin.46.5.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9015798","12.07899","","12.07899","","7.583467","","90","","90","","90","","1106.44","","","","","","","","","","","","Lake Clear, Ontario, Canada","11","P 42/n :2","-P 4bc","86","","","Marialite","- C0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016 -","- C0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016 -","- C0.818 Al8 Ca2.704 Cl1.1 Fe0.024 K0.32 Na4.376 O50.776 S0.08 Si16 Sr0.032 -","2","0.25","","Antao, S. M.; Hassan, I.","Complete Al-Si order in scapolite Me37.5, ideally Ca3Na5[Al8Si16O48]Cl(CO3), and implications for antiphase domain boundaries (APBs)","The Canadian Mineralogist","2011","49","","581","586","10.3749/canmin.49.2.581","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9017578","7.552","","7.552","","7.4694","","90","","90","","90","","426","","","","","","","","","","","","Tsumeb mine, Nambia","4","P 42/n :2","-P 4bc","86","","","Stottite","- Fe Ge H6 O6 -","- Fe Ge H6 O6 -","- Fe4 Ge4 H24 O24 -","4","0.5","","Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P.","Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa","Mineralogical Magazine","2012","76","","949","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""