# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-24T01:07:27+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b c 21' 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
"1007255","11.72","0.03","14.89","0.03","16.59","0.03","90","","90","","90","","2895.1","","","","","","","","","","","","","5","P b c 21","P 2c -2b","29","","Sodium tris(chromato)phosphate(V) trihydrate","","- Cr3 H6 Na3 O16 P -","- Cr3 H6 Na3 O16 P -","- Cr24 H48 Na24 O128 P8 -","8","2","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structure of Na3 P Cr3 O13 (H2 O)13: A new type of chromophosphoric anion","Journal of Solid State Chemistry","1980","33","","325","333","10.1016/0022-4596(80)90153-X","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502341","7.7751","0.0006","10.3561","0.0008","30.771","0.002","90","","90","","90","","2477.7","0.3","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C96 H104 N8 O24 S8 -","8","2","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0585","0.0524","","","0.1322","0.1357","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508473","7.1109","0.0002","7.8014","0.0002","15.6397","0.0005","90","","90","","90","","867.61","0.04","173","2","173","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C6 H3 Br3 N2 -","- C6 H3 Br3 N2 -","- C24 H12 Br12 N8 -","4","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0205","0.0191","","","0.0421","0.0427","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1509389","7.265","","15.17","","5.786","","90","","90","","90","","637.675","","","","","","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- Ag I O3 -","- Ag I O3 -","- Ag8 I8 O24 -","8","2","","Masse, R.; Guitel, J.C.","Preparation chimique et structure cristalline de l'iodate d'argent Ag I O3","Journal of Solid State Chemistry","1980","32","","177","180","10.1016/0022-4596(80)90564-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525194","15.874","","13.952","","18.47","","90","","90","","90","","4090.63","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","Na3 Nd (P O4)2","","- Na3 Nd O8 P2 -","- Na3 Nd O8 P2 -","- Na72 Nd24 O192 P48 -","24","6","","Salmon, R.; Parent, C.; Vlasse, M.; le Flem, G.","The crystal structure of a new high - Nd - concentration laser material: Na3 Nd (P O4)2","Materials Research Bulletin","1978","13","","439","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529892","9.327","","10.867","","13.635","","90","","90","","90","","1382","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","K3 Sc (Mo O4)3","","- K3 Mo3 O12 Sc -","- K3 Mo3 O12 Sc -","- K12 Mo12 O48 Sc4 -","4","1","","Efremov, V.A.; Trunov, V.K.; Velikodnyi, Yu.A.; Kudin, O.V.; Makarevich, L.G.","The double molybdate K3 Sc (Mo O4)3","Zhurnal Neorganicheskoi Khimii","1981","26","","2112","2116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531076","10.927","","11.757","","22.327","","90","","90","","90","","2868.32","","","","","","","","","","","","","5","P b c 21","P 2c -2b","29","","Sm (Al (O H)6 Mo6 O18) (H2 O)11","","- Al H28 Mo6 O35 Sm -","- Al Mo6 O35 Sm -","- Al4 Mo24 O140 Sm4 -","4","1","","Andreev, G.B.; Fedoseev, A.M.; Budantseva, N.A.; Antipin, M.Yu.","Crystal structure of samarium hexamolybdoaluminate, Sm (Al (O H)6 Mo6 O18) * 11(H2 O)","Kristallografiya","2002","47","","439","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535116","7.064","","12.177","","22.113","","90","","90","","90","","1902.12","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","K3.8 Nb5 (Ge3 O9) O11.4","","- Ge3 K3.8 Nb5 O20.4 -","- Ge3 K3.8 Nb5 O20.5 -","- Ge12 K15.2 Nb20 O82 -","4","1","","Belokoneva, E.L.; Mill', B.V.; Butashin, A.V.","Crystal structure of a new circled germanate K3.8Nb5(Ge3O9)O11.4","Zhurnal Neorganicheskoi Khimii","1993","38","","1455","1460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535526","7.232","","15.115","","20.102","","90","","90","","90","","2197.38","","","","","","","","","","","","","6","P b c 21","P 2c -2b","29","","(Co (O C (N H2)2)6) (S O4) (H2 O)","","- C6 H26 Co N12 O11 S -","- C6 H26 Co N12 O11 S -","- C24 H104 Co4 N48 O44 S4 -","4","1","","Toshev, M.T.; Dustov, H.B.; Radzhabov, Sh.L.; Saidov, S.O.; Davranov, M.D.; Sulaimankulov, K.S.","X-ray structural study of crystal structure of hexa(carbamide)cobalt(II) sulfate monohydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1995","21","","132","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1547198","11.0775","0.0003","16.52","0.001","37.7334","0.0013","90","","90","","90","","6905.2","0.5","99.98","0.13","99.98","0.13","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C21 H21 N2 O1.5 -","- C21 H21 N2 O1.5 -","- C336 H336 N32 O24 -","16","4","","Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit","Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.","Analytical chemistry","2017","89","19","10625","10636","10.1021/acs.analchem.7b03503","","x-ray","0.71073","MoKα","","0.0928","0.0849","","","0.184","0.1898","","","","","","1.048","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1562620","10.2792","0.0001","9.3759","0.0001","14.5388","0.0002","90","","90","","90","","1401.2","0.03","293","2","293","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C5 H14 B3 F12 K N2 -","- C5 H14 B3 F12 K N2 -","- C20 H56 B12 F48 K4 N8 -","4","1","","Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite","Chemical Science","2021","","","","","10.1039/D1SC01345A","","","1.54178","CuKα","","0.0356","0.0344","","","0.0962","0.1019","","","","","","1.085","","","","has coordinates","265286","2021-05-18","03:08:44",""
"1565074","5.97246","0.00016","9.0205","0.0002","36.0997","0.0009","90","","90","","90","","1944.86","0.08","292.9","0.6","292.9","0.6","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C18 H24 Cl2 N2 O4 -","- C18 H24 Cl2 N2 O4 -","- C72 H96 Cl8 N8 O16 -","4","1","","Feng, Shangwei; Huang, Qiuqin; Yang, Shuming; Lin, Zhenghuan; Ling, Qidan","A metal-free 2D layered organic ammonium halide framework realizing full-color persistent room-temperature phosphorescence","Chemical Science","2021","","","","","10.1039/D1SC04806F","","x-ray","0.71","MoKα","","0.091","0.0884","","","0.2492","0.2533","","","","","","1.071","","","","has coordinates","270111","2021-10-28","22:38:10",""
"2000792","5.4732","","8.6274","","19.4255","","90","","90","","90","","917.262","","","","","","","","","","","","","5","P b c 21","P 2c -2b","29","","N-benzylmethanesulfonamide","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","1","HA0085","Elmore, D. T.; Jones, J. H.; Raissi, M.; Prout, K.","<i>N</i>-Benzylmethanesulfonamide","Acta Crystallographica Section C","1992","48","7","1331","1333","10.1107/S0108270191013987","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205890","2020-10-21","18:00:00",""
"2000933","8.486","0.002","12.387","0.003","26.244","0.005","90","","90","","90","","2758.7","1.1","","","","","","","","","","","","3","P b c 21","","","","","","- C18 H13 P -","- C18 H13 P -","- C144 H104 P8 -","8","2","CD0078","Alyea, E. C.; Ferguson, G.; Gallagher, J. F.","Structure of 5-phenyldibenzophosphole","Acta Crystallographica Section C","1992","48","5","959","961","10.1107/S0108270191014105","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","194537","2020-10-21","18:00:00",""
"2001581","6.133","0.001","8.834","0.002","20.653","0.003","90","","90","","90","","1119","0.4","","","","","","","","","","","","5","P b c 21","P 2c -2b","","","","","- C9 H10 Cl2 N2 O2 -","- C9 H10 Cl2 N2 O2 -","- C36 H40 Cl8 N8 O8 -","4","1","DU1020","Cadiergue, H.; Pèpe, G.; Astier, J. P.; Boistelle, R.; Fiard, J. F.","Structure of linuron, 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea","Acta Crystallographica Section C","1993","49","6","1078","1080","10.1107/S0108270192012976","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001926","7.902","0.002","12.009","0.003","7.474","0.002","90","","90","","90","","709.2","0.3","298","","","","","","","","","","","4","P b c 21","P 2c -2b","","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","VS0102","Streltsova, N. R.; Bel'sky, V. K.; Voloshin, Y. Z.","Structures of three alicyclic α-dioximes with a ring size of six to eight","Acta Crystallographica Section C","1993","49","3","635","639","10.1107/S0108270192011144","","","0.71069","MoKα","","","0.024","","","0.027","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002102","7.5289","0.0008","14.5526","0.0016","12.8578","0.0011","90","","90","","90","","1408.8","0.2","277","","","","","","","","","","","5","P b c 21","","","","","","- C8 H16 Cl2 Pd S4 -","- C8 H16 Cl2 Pd S4 -","- C32 H64 Cl8 Pd4 S16 -","4","1","HU1010","Blake, A. J.; Freeman, G.; Schröder, M.; Yellowlees, L. J.","[12]aneS~4~PdCl~2~","Acta Crystallographica Section C","1993","49","1","167","168","10.1107/S0108270192008758","","","0.71073","MoKα","","","0.0161","","","0.0229","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003520","4.653","0.0004","15.191","0.001","26.902","0.002","90","","90","","90","","1901.5","0.2","293","2","293","2","","","","","","","synthesized from CH~2~Cl~2~--benzene system","4","P b c 21","P 2c -2b","29","","10-Hydroxybenzo[h]quinoline","","- C13 H9 N O -","- C13 H9 N O -","- C104 H72 N8 O8 -","8","2","AS1144","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","10-Hydroxybenzo[<i>h</i>]quinoline","Acta Crystallographica Section C","1995","51","6","1173","1175","10.1107/S010827019401379X","","","1.54178","CuKα","","0.0559","0.0383","","0.1128","0.0767","","","","1.213","1.26","1.26","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004047","7.653","0.004","15.98","0.01","17.57","0.01","90","","90","","90","","2149","2","293","","293","","","","","","","","Kali-Chemie, Pharma GmbH, Hannover, Germany","5","P b c 21","P 2c -2b","29","","1,8-Dimethyl-2-[(3-furancarbonyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O2 -","- C23 H24 Cl N3 O2 -","- C92 H96 Cl4 N12 O8 -","4","1","NA1182","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","1,8-Dimethyl-2-(3-furanoylaminomethyl)-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1995","51","10","2177","2179","10.1107/S0108270195006949","","","1.54184","CuKα","","0.0344","0.0334","","0.0885","0.0885","","","","1.068","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009341","4.7651","0.0006","9.3404","0.0015","37.066","0.006","90","","90","","90","","1649.7","0.4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","Zinc heptanoate","Anhydrous Zinc(II) Heptanoate","","- C14 H26 O4 Zn -","- C14 H26 O4 Zn -","- C56 H104 O16 Zn4 -","4","1","SK1286","Jerôme Peultier; Michel Francois; Jean Steinmetz","Anhydrous polymeric zinc(II) heptanoate","Acta Crystallographica Section C","1999","55","12","2064","2065","10.1107/S0108270199008483","","","1.5418","CuKα","","0.112","0.055","","","","0.159","","","","","","0.908","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009428","6.366","0.002","15.052","0.002","17.574","0.003","90","","90","","90","","1684","0.6","298","","","","","","","","","","","6","P b c 21","P 2c -2b","","","","","- C9 H24 Cl3 Co N4 O4 -","- C9 H24 Cl3 Co N4 O8 -","- C36 H96 Cl12 Co4 N16 O32 -","4","1","AS1032","Lu, T.-H.; Lai, C.-Y.; Chung, C.-S.","<i>trans</i>-Dichloro[(2<i>RS</i>,5<i>RS</i>,9<i>SR</i>,12<i>RS</i>)-2,5,9,12-tetraazatridecane]cobalt(III) perchlorate, [CoCl~2~(C~9~H~24~N~4~)]ClO~4~","Acta Crystallographica Section C","1994","50","2","202","203","10.1107/S0108270193007231","","","0.71073","MoKα","","","0.056","","","0.054","","","","","0.8","0.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2018438","10.037","0.002","5.33","0.001","29.57","0.004","90","","90","","90","","1581.9","0.5","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","benzyl carbamate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","UK3041","Mata, Ignasi; Molins, Elies; Amat, Mercedes; Llor, Núria; Checa, Begoña","C—H···<i>X</i> (<i>X</i> = O, N or π) interactions in benzyl carbamate","Acta Crystallographica Section C","2012","68","3","o114","o118","10.1107/S0108270112003186","","","0.71073","MoKα","","0.1365","0.0761","","","0.1916","0.2331","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2020146","11.085","","13.76","","8.919","","90","","90","","90","","1360.41","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","(H3 O) Sb (S O4)2","","- H3 O9 S2 Sb -","- O9 S2 Sb -","- O72 S16 Sb8 -","8","2","","Mercier, R.; Douglade, J.; Sheldrick, G.M.; Jones, P.G.","Structure of an Oxonium Antimony(III) Sulphate, (H3 O)2 Sb2 (S O4)4","Acta Crystallographica C (39,1983-)","1983","39","","145","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"2100404","21.417","0.006","21.649","0.006","14.848","0.004","90","","90","","90","","6884","3","170","2","170","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","1","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0596","0.0502","","","0.1199","0.127","","","","","","1.077","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100405","21.358","0.013","21.651","0.013","14.79","0.009","90","","90","","90","","6839","7","130","2","130","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","1","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0639","0.0527","","","0.1221","0.13","","","","","","1.046","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100406","21.386","0.004","21.732","0.004","14.82","0.002","90","","90","","90","","6888","2","100","2","100","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","1","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0736","0.0623","","","0.1496","0.1607","","","","","","1.09","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100999","17.7366","0.0017","9.8219","0.0007","9.0558","0.0011","90","","90","","90","","1577.6","0.3","","","","","","","","","","","","3","P b c 21","P 2c -2b","","","","","- C12 H24 S4 -","- C12 H24 S4 -","- C48 H96 S16 -","4","1","HA0116","Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M.","Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane)","Acta Crystallographica Section B","1993","49","4","773","779","10.1107/S0108768193001910","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102062","3.54807","0.00005","10.81599","0.00016","18.9943","0.0002","90","","90","","90","","728.92","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C8 H4 Na2 O4 -","- C8 H4 Na2 O4 -","- C32 H16 Na8 O16 -","4","1","BK0069","Kaduk, James A.","Terephthalate salts: salts of monopositive cations","Acta Crystallographica Section B","2000","56","3","474","485","10.1107/S0108768199014718","","","1.14968","","","","","","","","","","","2.6","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102063","4.0053","0.0005","11.814","0.002","20.186","0.002","90","","90","","90","","955.17","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C8 H16 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","1","BK0069","Kaduk, James A.","Terephthalate salts: salts of monopositive cations","Acta Crystallographica Section B","2000","56","3","474","485","10.1107/S0108768199014718","","","1.54063","","","","","","","","","","","2.71","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104809","17.7219","0.0005","7.5069","0.0003","14.717","0.0004","90","","90","","90","","1957.9","0.11","210","2","210","2","","","","","","","","5","P b c 21","P 2c -2b","29","","diaqua(15-crown-5)nickel(II) hydrogen sulfate","","- C10 H26 Ni O15 S2 -","- C10 H26 Ni O15 S2 -","- C40 H104 Ni4 O60 S8 -","4","1","ZB5013","Siegler, Maxime A.; Stavitski, Eli","On the sequence of three related phases of [Ni(H~2~O)~2~(15-crown-5)](HSO~4~)~2~ in the temperature range 110‒295K","Acta Crystallographica Section B","2010","66","4","430","440","10.1107/S0108768110020410","","","0.71073","MoKα","","0.0428","0.0261","","","0.0608","0.069","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2206004","5.958","0.002","11.039","0.003","33.596","0.005","90","","90","","90","","2209.6","1","294","2","294","2","","","","","","","","4","P b c 21","P 2c -2b","29","Pargyline","N-benzyl-N-methylprop-2-yn-1-aminium chloride","","- C11 H14 Cl N -","- C11 H14 Cl N -","- C88 H112 Cl8 N8 -","8","2","LH6415","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","Pargyline hydrochloride, a monoamine oxidase inhibitor: an orthorhombic form","Acta Crystallographica Section E","2005","61","6","o1598","o1600","10.1107/S1600536805013292","","","1.54178","CuKα","","0.0789","0.0647","","","0.1609","0.1669","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206171","6.287","0.0005","13.248","0.0009","22.25","0.0009","90","","90","","90","","1853.2","0.2","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","2-(Biphenyl-4-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","CV6528","Mahendra, M; Jayalakshmi, K.; Basappa; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.","2-(Biphenyl-4-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2005","61","7","o2315","o2317","10.1107/S1600536805019732","","","0.71073","MoKα","","0.067","0.045","","","0.0961","0.1097","","","","","","1.092","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210394","4.7111","0.0006","24.857","0.003","30.823","0.004","90","","90","","90","","3609.5","0.8","292","2","292","2","","","","","","","","4","P b c 21","P 2c -2b","29","","Bis(benzimidazol-2-ylmethyl)amine tetrahydrate","","- C16 H23 N5 O4 -","- C16 H23 N5 O4 -","- C128 H184 N40 O32 -","8","2","TK2069","Meng, Xiang-Gao; Mei, Fu-Sheng; Liao, Zhan-Ru","Bis(benzimidazol-2-ylmethyl)amine tetrahydrate","Acta Crystallographica Section E","2006","62","9","o4120","o4122","10.1107/S1600536806033721","","","0.71073","Mokα","","0.077","0.068","","","0.155","0.16","","","","","","1.17","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2223452","7.5689","0.0004","19.1582","0.0007","20.1826","0.001","90","","90","","90","","2926.6","0.2","120","2","120","2","","","","","","","","5","P b c 21","P 2c -2b","29","","(2-Amino-4,6-dimethylpyrimidine-κ<i>N</i>^1^)(2-amino-4-methylpyrimidine- κ<i>N</i>^1^)silver(I) nitrate","","- C11 H16 Ag N7 O3 -","- C11 H16 Ag N7 O3 -","- C88 H128 Ag8 N56 O24 -","8","2","JH2100","Yang, Hua","(2-Amino-4,6-dimethylpyrimidine-κ<i>N</i>^1^)(2-amino-4-methylpyrimidine-κ<i>N</i>^1^)silver(I) nitrate","Acta Crystallographica Section E","2009","65","10","m1177","","10.1107/S1600536809035181","","","0.71073","MoKα","","0.0534","0.0403","","","0.1162","0.1286","","","","","","1.097","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2238250","10.1341","0.00014","21.9219","0.0003","19.3747","0.0003","90","","90","","90","","4304.26","0.11","173","3","173","2","","","","","","","","4","P b c 21","P 2c -2b","29","","3,3-dimethyl-1<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-2(3<i>H</i>)-one","","- C13 H13 N O -","- C13 H13 N O -","- C208 H208 N16 O16 -","16","4","SJ5328","Lopchuk, Justin M.; Gribble, Gordon W.; Jasinski, Jerry P.","Bruceolline D: 3,3-dimethyl-1<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1043","","10.1107/S1600536813014955","","","1.5418","CuKα","","0.0714","0.0681","","","0.1688","0.1744","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240392","8.5359","0.0005","9.0337","0.0005","15.7575","0.001","90","","90","","90","","1215.07","0.12","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","Bis(thiocyanato-κ<i>S</i>)bis(thiourea-κ<i>S</i>)mercury(II)","","- C4 H8 Hg N6 S4 -","- C4 H8 Hg N6 S4 -","- C16 H32 Hg4 N24 S16 -","4","1","SU5058","Baskaran, A.; Rajarajan, K.; NizamMohideen, M.; Sagayaraj, P.","Crystal structure of bis(thiocyanato-κ<i>S</i>)bis(thiourea-κ<i>S</i>)mercury(II)","Acta Crystallographica Section E","2015","71","2","m28","m29","10.1107/S2056989015000584","","","0.71073","MoKα","","0.0353","0.0291","","","0.0704","0.0752","","","","","","1.153","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"4026311","7.6466","0.0006","11.7186","0.0009","16.8849","0.0015","90","","90","","90","","1513","0.2","200","2","200","2","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0639","0.0555","","","0.1485","0.1584","","","","","","1.002","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4027190","9.6033","0.0006","13.7896","0.0008","11.3522","0.0006","90","","90","","90","","1503.32","0.15","293","2","293","2","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54179","CuKα","","","0.0867","","","","0.2807","","","","","","1.068","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4029783","8.3106","0.0011","16.12","0.002","16.9678","0.0018","90","","90","","90","","2273.1","0.5","200","","200","","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C25 H33 B F3 N -","- C25 H33 B F3 N -","- C100 H132 B4 F12 N4 -","4","1","","Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P.","CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃.","Beilstein journal of organic chemistry","2010","6","","709","712","10.3762/bjoc.6.82","","","0.71073","MoKα","","0.0867","0.0466","","0.1161","0.1007","0.1157","","","","","","0.9218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4031232","4.983","","13.128","","12.214","","90","","90","","90","","799.001","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","Sn3 (O H)2 O S O4","","- H2 O7 S Sn3 -","- O7 S Sn3 -","- O28 S4 Sn12 -","4","1","","Davies, C.G.; Donaldson, J.D.; Laughlin, D.R.; Beddoes, R.; Howie, R.A.","Crystal structure of tritin(II) dihydroxide oxide sulphate","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1975","1975","","2241","2244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4064322","9.2634","0.0001","22.7035","0.0003","26.5874","0.0004","90","","90","","90","","5591.64","0.13","173","2","173","2","","","","","","","","7","P b c 21","P 2c -2b","29","","PPh3AuBIANPF6","","- C56 H59 Au Cl4 F6 N2 P2 -","- C56 H59 Au Cl4 F6 N2 P2 -","- C224 H236 Au4 Cl16 F24 N8 P8 -","4","1","","de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre","Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes","Organometallics","2011","30","8","2241","","10.1021/om2000426","","x-ray","0.71073","MoKα","","0.0504","0.0401","","","0.0981","0.1127","","","","","","1.091","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4081258","10.8056","0.0002","15.837","0.0002","24.405","0.0003","90","","90","","90","","4176.39","0.11","200","","200","","","","","","","","Research School of Chemistry","5","P b c 21","P 2c -2b","29","","","","- C42 H38 F12 O P4 -","- C42 H38 F12 O P4 -","- C168 H152 F48 O4 P16 -","4","1","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.0436","0.0366","","0.0881","0.0847","0.0881","","","","","","0.9801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083706","13.0933","0.0005","16.262","0.0005","17.8153","0.0005","90","","90","","90","","3793.3","0.2","150","2","150","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C37 H62 B Ca N3 O -","- C37 H62 B Ca N3 O -","- C148 H248 B4 Ca4 N12 O4 -","4","1","","Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele","Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides","Organometallics","2014","33","20","5716","","10.1021/om500467b","","","0.71073","MoKα","","0.0739","0.0535","","","0.1306","0.1461","","","","","","1.089","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083741","12.145","0.0001","17.81","0.0002","21.138","0.0002","90","","90","","90","","4572.2","0.08","150","2","150","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C47 H62 B Cl2 Cu F4 N4 -","- C47 H62 B Cl2 Cu F4 N4 -","- C188 H248 B4 Cl8 Cu4 F16 N16 -","4","1","","Collins, Lee R.; Rookes, Thomas M.; Mahon, Mary F.; Riddlestone, Ian M.; Whittlesey, Michael K.","Use of Ring-Expanded Diamino- and Diamidocarbene Ligands in Copper Catalyzed Azide‒Alkyne “Click” Reactions","Organometallics","2014","33","20","5882","","10.1021/om5004732","","","0.71073","MoKα","","0.0531","0.039","","","0.0885","0.0951","","","","","","1.009","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4086503","15.1911","0.0004","16.9206","0.0004","17.1163","0.0004","90","","90","","90","","4399.62","0.19","296","2","296","2","","","","","","","","5","P b c 21","P 2c -2b","29","","C25 H35 N O Ti","","- C100 H140 N4 O4 Ti4 -","- C100 H140 N4 O4 Ti4 -","- C200 H280 N8 O8 Ti8 -","2","0.5","","Nguyen, Trang T.; Kortman, Gregory D.; Hull, Kami L.","Synthesis, Cycloaddition, and Cycloreversion Reactions of Mononuclear Titanocene‒oxo Complexes","Organometallics","2016","35","11","1713","","10.1021/acs.organomet.6b00111","","x-ray","0.71073","MoKα","","0.045","0.0382","","","0.1021","0.1066","","","","","","1.009","","","","has coordinates","183599","2020-10-21","18:00:00",""
"4100139","9.2861","0.0008","18.0913","0.0015","14.6712","0.001","90","","90","","90","","2464.7","0.3","180","2","180","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C10 H29 Cl2 I3 Mo P3 -","- C10 H29 Cl2 I3 Mo P3 -","- C40 H116 Cl8 I12 Mo4 P12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4101339","9.1025","0.0006","17.4883","0.0011","43.339","0.003","90","","90","","90","","6899","0.8","141","1","141","1","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C28 H30 F12 I2 N2 O3 U -","- C28 H30 F12 I2 N2 O3 U -","- C224 H240 F96 I16 N16 O24 U8 -","8","2","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0543","0.0388","","","0.0841","0.0936","","","","","","0.793","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4114215","13.867","0.011","13.898","0.012","11.504","0.015","90","","90","","90","","2217","4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C12 H24 I N3 -","- C12 H24 I N3 -","- C96 H192 I8 N24 -","8","2","","Thomas W. Bell; Heung-Jin Choi; William Harte; Michael G. B. Drew","Syntheses, Conformations, and Basicities of Bicyclic Triamines","Journal of the American Chemical Society","2003","125","","12196","12210","10.1021/ja030236d","","","0.71073","MoKα","","0.172","0.084","","","0.086","0.177","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114910","15.4936","0.0017","8.2673","0.0009","13.1465","0.0015","90","","90","","90","","1683.9","0.3","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- H3.2 K2 O18.6 Si6 V2 -","- K2 O18.693 Si6 V2 -","- K8 O74.772 Si24 V8 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1101","0.0458","","","0.0768","0.0898","","","","","","0.846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120309","12.8544","0.0019","19.329","0.003","23.798","0.004","90","","90","","90","","5912.9","1.6","173","2","173","2","","","","","","","","8","P b c 21","P 2c -2b","29","","","","- C55 H86 Cl Ir K N O6 P2 -","- C55 H86 Cl Ir K N O6 P2 -","- C220 H344 Cl4 Ir4 K4 N4 O24 P8 -","4","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.7107","MoKα","","0.0607","0.0533","","","0.1245","0.1297","","","","","","1.043","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4124706","9.049","","10.924","","15.606","","90","","90","","90","","1542.67","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","K4 Xe O6 (H2 O)9","","- H18 K4 O15 Xe -","- K4 O15 Xe -","- K16 O60 Xe4 -","4","1","","Zalkin, A.; Forrester, J.D.; Williamson, S.M.; Templeton, D.H.; Koch, C.W.","Potassium perxenate nonahydrate","Journal of the American Chemical Society","1964","86","","3569","3571","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4130583","4.6212","0.0006","27.219","0.007","26.841","0.004","90","","90","","90","","3376.2","1.1","100.01","0.1","100.01","0.1","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C6 H26 I8 N2 O2 Pb3 S2 -","- C6 H24 I8 N2 O2 Pb3 S2 -","- C24 H96 I32 N8 O8 Pb12 S8 -","4","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","0.71","MoKα","","0.0915","0.0602","","","0.1566","0.1809","","","","","","1.06","","","","has coordinates","240983","2020-10-21","18:00:00",""
"4316282","19.704","0.004","23.194","0.004","35.517","0.007","90","","90","","90","","16232","5","100","2","100","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C88 H64 N12 O4 Zn -","- C88 H64 N12 O4 Zn -","- C704 H512 N96 O32 Zn8 -","8","2","","Hijazi, Ismail; Roisnel, Thierry; Even-Hernandez, Pascale; Geneste, Florence; Cador, Olivier; Guizouarn, Thierry; Boitrel, Bernard","Structural Characterization of Zinc and Iron (II/III) Complexes of a Porphyrin Bearing Two Built-in Nitrogen Bases. An Example of High-Spin Diaqua-Iron(III) Bromo Complex","Inorganic Chemistry","2010","49","16","7536","7544","10.1021/ic1009384","","x-ray","0.71073","MoKα","","0.2359","0.1041","","","0.2175","0.2555","","","","","","0.891","","","","has coordinates","210347","2020-10-21","18:00:00",""
"4325567","14.7846","0.0001","21.2709","0.0002","31.714","0.0003","90","","90","","90","","9973.47","0.15","100","2","100","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C27 H72 Ge2 N4 O3 Ru Si8 -","- C27 H72 Ge2 N4 O3 Ru Si8 -","- C216 H576 Ge16 N32 O24 Ru8 Si64 -","8","2","","Javier A. Cabeza; Pablo García-Álvarez; Diego Polo","Reactivity of Diaminogermylenes with Ruthenium Carbonyl: Ru3Ge3 and RuGe2 Derivatives","Inorganic Chemistry","2011","50","","6195","6199","10.1021/ic2009682","","","1.5418","CuKα","","0.062","0.0609","","","0.1524","0.1536","","","","","","1.067","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4328483","7.048","0.0005","14.081","0.0008","21.725","0.0014","90","","90","","90","","2156.1","0.2","180","2","180","2","","","","","","","synthesis as described","4","P b c 21","P 2c -2b","29","","","","- C13 H6 F4 N2 -","- C13 H6 F4 N2 -","- C104 H48 F32 N16 -","8","2","","Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne","Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond","Inorganic Chemistry","2012","51","","2893","2901","10.1021/ic202125c","","","0.71073","MoKα","","0.0766","0.062","","","0.1506","0.1606","","","","","","0.983","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4331257","6.067","0.004","11.96","0.02","24.27","0.04","90","","90","","90","","1761","4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C22 H8 F4 N2 -","- C22 H10 F4 N2 -","- C88 H40 F16 N8 -","4","1","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.1919","0.0793","","","0.1898","0.2411","","","","","","0.873","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331581","9.3024","0.0004","23.5665","0.001","31.9975","0.0014","90","","90","","90","","7014.7","0.5","141","2","141","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C31.5 H49 Cl N4 O Si2 W -","- C31.5 H49 Cl N4 O Si2 W -","- C252 H392 Cl8 N32 O8 Si16 W8 -","8","2","","Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.","Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex","Inorganic Chemistry","2005","44","25","9506","9517","10.1021/ic0511367","","","0.71073","MoKα","","0.0391","0.033","","","0.0778","0.0822","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336981","8.02","0.0006","16.8828","0.0013","37.398","0.003","90","","90","","90","","5063.7","0.7","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C27 H29 Co N6 -","- C27 H29 Co N6 -","- C216 H232 Co8 N48 -","8","2","","Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami","Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes","Inorganic Chemistry","2013","52","","14040","14049","10.1021/ic4018079","","","0.71073","MoKα","","0.0502","0.0389","","","0.1131","0.1308","","","","","","0.846","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4341303","6.7273","0.0001","21.9914","0.0004","15.9205","0.0003","90","","90","","90","","2355.32","0.07","173","2","173","2","","","","","","","","6","P b c 21","P 2c -2b","29","[Cu(dt-5-e)~2~(H~2~O)~2~](ClO~4~)~2~ * 2 H~2~O","","","- C8 H20 Cl2 Cu N16 O12 -","- C8 H20 Cl2 Cu N16 O12 -","- C32 H80 Cl8 Cu4 N64 O48 -","4","1","","Evers, Jürgen; Gospodinov, Ivan; Joas, Manuel; Klapötke, Thomas M; Stierstorfer, Jörg","Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1H-tetrazol-5-yl)ethane.","Inorganic chemistry","2014","53","21","11749","11756","10.1021/ic5020175","","","0.71073","MoKα","","0.0473","0.046","","","0.1152","0.1172","","","","","","1.079","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4500619","8.0447","0.0002","10.4716","0.0002","20.2936","0.0004","90","","90","","90","","1709.55","0.06","120","2","120","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0367","0.0329","","","0.0742","0.076","","","","","","1.058","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500998","5.601","0.0006","13.344","0.001","31.751","0.002","90","","90","","90","","2373.1","0.3","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","Barium uranyl piroarsenate","","","- As6 Ba4 O25 U2 -","- As6 Ba4 O25 U2 -","- As24 Ba16 O100 U8 -","4","1","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Structural Complexity of Barium Uranyl Arsenates: Synthesis, Structure, and Topology of Ba4[(UO2)2(As2O7)3], Ba3[(UO2)2(AsO4)2(As2O7)], and Ba5Ca[(UO2)8(AsO4)4O8]","Crystal Growth & Design","2011","11","7","3295","","10.1021/cg200592s","","","0.71073","MoKα","","0.0475","0.0441","","","0.117","0.1226","","","","","","1.05","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4501120","14.3848","0.0018","12.4619","0.0012","11.3029","0.0011","90","","90","","90","","2026.2","0.4","296","2","296","2","","","","","","","","5","P b c 21","P 2c -2b","29","1,4-diazabicyclo[2.2.2]octane dihydrobromide semihydrate, dabco2HBr*0.5H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide semihydrate","","- C6 H15 Br2 N2 O0.5 -","- C6 H15 Br2 N2 O0.5 -","- C48 H120 Br16 N16 O4 -","8","2","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.0645","0.0355","","","0.0572","0.0595","","","","","","0.972","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501121","15.015","0.003","12.486","0.002","11.2364","0.0016","90","","90","","90","","2106.6","0.6","293","2","296","2","","","","","","","","5","P b c 21","P 2c -2b","29","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C48 H128 Br16 N16 O8 -","8","2","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.1705","0.1059","","","0.3029","0.3203","","","","","","0.99","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4503914","5.7941","0.0005","13.0175","0.0014","13.6171","0.0015","90","","90","","90","","1027.07","0.18","120","2","","","","","","","","","","4","P b c 21","P 2c -2b","29","β-2-Salicylideneaniline","2-(Phenyliminomethyl)phenol","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Arod, Frédéric; Pattison, Philip; Schenk, Kurt J.; Chapuis, Gervais","Polymorphism inN-Salicylideneaniline Reconsidered","Crystal Growth & Design","2007","7","9","1679","","10.1021/cg060389n","","x-ray","0.75","synchrotron","","0.0512","0.0426","","","0.1018","0.1264","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507808","17.2025","0.0006","9.7993","0.0003","27.6106","0.0019","90","","90","","90","","4654.4","0.4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","DL-prolinium cocrystal of fumaric acid","RS-Pyrrolidinium-2-carboxylate (2E)-but-2-enedioate (2:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C168 H264 N24 O96 -","12","3","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71075","MoKα","","0.058","0.0463","","","0.1212","0.1291","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"6000477","7.4364","","9.5646","","20.4537","","90","","90","","90","","1454.79","","","","","","","","","","","","","5","P b c 21","","","","","","- C3 H8 Fe O7 P -","","","","","","Riou-Cavellec, M.; Sanselme, M.; Greneche, J. M.; Ferey, G.","Hydrothermal synthesis, structural approach, magnetic and Mossbauer study of the layered Fe(III) carboxyethylphosphonate [Fe(OH)(H2O)(O3P-(CH2)(2)-CO2H)] or MIL-37","Solid State Sciences","2000","2","","717","724","10.1016/S1293-2558(00)01080-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7012060","13.2134","0.0004","19.0999","0.0005","44.5065","0.0013","90","","90","","90","","11232.3","0.6","173","2","173","2","","","","","","","synthesis as described","6","P b c 21","P 2c -2b","29","[Mo(OBMes2)2(NC6H3iPr2)2]","","","- C60 H78 B2 Mo N2 O2 -","- C60 H78 B2 Mo N2 O2 -","- C480 H624 B16 Mo8 N16 O16 -","8","2","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Transition-metal imido-boroxide complexes: a structural and spectroscopic investigation of the influence of boron","Journal of the Chemical Society, Dalton Transactions","2002","","22","4168","","10.1039/b207277g","","x-ray","0.71073","MoKα","","0.1613","0.0677","","","0.1268","0.1582","","","","","","0.98","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7013421","12.4445","0.0001","12.2051","0.0001","8.3213","0.0001","90","","90","","90","","1263.89","0.02","298","2","298","2","","","","","","","","6","P b c 21","P 2c -2b","29","Complex 1 (Pd(LH)Cl2)Cl","Complex 1 [Pd(LH)Cl2]Cl","","- C6 H18 Cl3 N3 O Pd -","- C6 H18 Cl3 N3 O Pd -","- C24 H72 Cl12 N12 O4 Pd4 -","4","1","","Seeber, Georg; Long, De-Liang; Kariuki, Benson M.; Cronin, Leroy","Palladium(ii)-based cis,trans-1,3,5-triaminocyclohexane complexes demonstrating a variety of coordination modes and architecturesElectronic supplementary information (ESI) available: A detailed description of the coordinative flexibility of trans-tach. Fig. S1: Diagram defining interplanar angle ? and torsion angle ?. Table S1: interplanar angles ? and torsion angles ? for complexes 1?7. See http://www.rsc.org/suppdata/dt/b3/b307616d/","Dalton Transactions","2003","","23","4498","","10.1039/b307616d","","","1.54178","CuKα","","0.0459","0.0431","","","0.1064","0.1082","","","","","","1.021","","","","has coordinates","179838","2020-10-21","18:00:00",""
"7017376","9.5705","0.0002","18.6451","0.0003","32.4579","0.0007","90","","90","","90","","5791.9","0.2","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C27 H32 N8 O2 S2 -","- C27 H32 N8 O2 S2 -","- C216 H256 N64 O16 S16 -","8","2","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin; Rissanen, Kari; Sobolev, Alexandre N.; Lehn, Jean-Marie","Structural and metallo selectivity in the assembly of [2 ×2] grid-type metallosupramolecular species: Mechanisms and kinetic control.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12320","12332","10.1039/c1dt11226k","","","0.71073","MoKα","","0.2375","0.0895","","","0.2238","0.2927","","","","","","1.034","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017491","17.575","0.004","17.691","0.003","15.398","0.003","90","","90","","90","","4787.5","1.6","100","2","100","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C17 H23 Cl3 Cu N2 O4 S2 -","- C17 H23 Cl3 Cu N2 O4 S2 -","- C136 H184 Cl24 Cu8 N16 O32 S16 -","8","2","","Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato","Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","424","431","10.1039/c1dt10629e","","","0.71073","MoKα","","0.1282","0.0756","","","0.1955","0.247","","","","","","1.056","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7031397","15.8743","0.0008","12.4146","0.0007","19.8597","0.0011","90","","90","","90","","3913.8","0.4","123","2","123","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C36 H56 N10 Na2 O2 -","- C36 H56 N10 Na2 O2 -","- C144 H224 N40 Na8 O8 -","4","1","","Armstrong, David R.; Brouillet, Etienne V.; Kennedy, Alan R.; Garden, Jennifer A.; Granitzka, Markus; Mulvey, Robert E.; Trivett, Joshua J.","Donor-activated alkali metal dipyridylamides: co-complexation reactions with zinc alkyls and reactivity studies with benzophenone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14409","14423","10.1039/c4dt00914b","","","0.71073","MoKα","","0.1119","0.0769","","","0.197","0.2266","","","","","","1.014","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7050470","7.788","0.0013","14.259","0.002","36.544","0.006","90","","90","","90","","4058.2","1.1","293","2","293","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C24 H18 Ag4 Cl4 N18 O16 -","- C24 H18 Ag4 Cl4 N18 O16 -","- C96 H72 Ag16 Cl16 N72 O64 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Silver(i) polymeric coordination frameworks assembled with the new multimodal ligand 2,2'-azobispyrazine","New Journal of Chemistry","2003","27","3","483","","10.1039/b209580g","","","0.71073","MoKα","","0.0976","0.0876","","0.2495","0.2403","","","","1.08","","","","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7051026","6.632","0.002","19.859","0.002","34.049","0.004","90","","90","","90","","4484.4","1.5","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","4-phenil-4-(N-ciclohexyl)imidoyl-6-(4-methylphenyl)- 2-methoxi-3,4-dihydropyridin","","- C26 H30 N2 O -","- C26 H30 N2 O -","- C208 H240 N16 O8 -","8","2","","José Barluenga; Miguel Tomás; Alfredo Ballesteros; Javier Santamaría; Raúl Corzo-Suárez; Santiago García-Granda","Reaction of Fischer alkynylcarbene complexes with 1-azadiene derivatives: unexpected formation of 3,4-dihydropyridines","New J. Chem.","2001","25","1","8","10","10.1039/b005648k","","","0.71073","MoKα","","0.245","0.0591","","","0.1485","0.2829","","","1.029","","","1.306","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052668","9.1429","0.0012","19.388","0.003","21.699","0.003","90","","90","","90","","3846.4","0.9","93.15","","93.15","","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","Tris-ethylenediamine cadmium(ii) bis-biphenyldithiolate cadmium(ii) ethylenediamine","Tris-ethylenediamine cadmium(II) bis-biphenyldithiolate cadmium(II) ethylenediamine","","- C32 H48 Cd2 N8 S4 -","- C32 H44 Cd2 N8 S4 -","- C128 H176 Cd8 N32 S16 -","4","1","","Louvain, Nicolas; Takashima, Yohei; Kitagawa, Susumu; Furukawa, Shuhei","Thermodynamically controlled coordination-engineering of novel 2D cadmium thiolate coordination polymers","New Journal of Chemistry","2011","35","6","1265","","10.1039/c1nj20042a","","x-ray","0.71073","MoKα","","0.0398","0.038","","","0.1001","0.1024","","","","","","1.055","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7054809","12.5424","0.0001","22.7691","0.0003","24.9695","0.0002","90","","90","","90","","7130.77","0.12","173","2","173.15","","","","","","","","","5","P b c 21","P 2c -2b","29","","1","","- C68 H120 N2 Si4 U2 -","- C68 H120 N2 Si4 U2 -","- C272 H480 N8 Si16 U8 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","","0.71073","MoKα","","0.0468","0.0334","","","0.0775","0.0982","","","","","","1.223","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7101298","10.531","0.001","21.44","0.001","22.895","0.001","90","","90","","90","","5169.3","0.6","293","2","293","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C26 H54 Cu7 K N20 O6 S8 -","- C26 H54 Cu7 K N20 O6 S8 -","- C104 H216 Cu28 K4 N80 O24 S32 -","4","1","","El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè","A new 2D network built from potassium sandwiches {K[CuII3(bdap)3]2} and {(μ1,3-SCN)3CuI(NCS)} anions: structure and magnetic behaviour","Chemical Communications (Cambridge, United Kingdom)","2006","","29","3113","3115","10.1039/b605078f","","","0.71073","MoKα","","0.0589","0.048","","","0.0865","0.0907","","","","","","1.22","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7107867","7.3608","0.0015","24.153","0.005","40.044","0.008","90","","90","","90","","7119","3","213","2","213","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C40 H40 N6 O10 -","- C35 H42 N4 O13 -","- C280 H336 N32 O104 -","8","2","","Ting Qi; Victor Maurizot; Hiroki Noguchi; Thiraporn Charoenraks; Brice Kauffmann; Makoto Takafuji; Hirotaka Ihara; Ivan Huc","Solvent dependence of helix stability in aromatic oligoamide foldamers","Chem.Commun.","2012","48","","6337","","10.1039/c2cc31533e","","","1.54178","CuKα","","0.0604","0.0594","","","0.1592","0.1627","","","","","","1.069","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7110303","21.386","0.004","21.732","0.004","14.82","0.002","90","","90","","90","","6888","2","100","2","100","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","1","","Sarsfield, Mark J.; Sutton, Andrew D.; May, Iain; John, Gordon H.; Sharrad, Clint; Helliwell, Madeleine","Coordination of pertechnetate [TcO4]? to actinides","Chemical Communications","2004","","20","2320","2321","10.1039/b404424j","","","0.71073","MoKα","","0.0741","0.0627","","","0.1507","0.1618","","","","","","1.098","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110747","10.372","0.0002","13.5883","0.0002","16.0282","0.0003","90","","90","","90","","2258.98","0.07","100","2","100","2","","","","","","","","6","P b c 21","P 2c -2b","29","","(butadiene)(tosylimido)octacarbonyltriruthenium","","- C19 H13 N O10 Ru3 S -","- C19 H13 N O10 Ru3 S -","- C76 H52 N4 O40 Ru12 S4 -","4","1","","Ali, Shahbano; Deeming, Antony J.; Hogarth, Graeme; Mehta, Nikesh A.; Steed, Jonathan W.","Reductive coupling of alkynes to give ruthenium and osmium clusters of the type [M3(1,3-diene)(μ3-X)(CO)8] containing μ-η2,η2- or η4-1,3-diene","Chemical Communications","1999","","24","2541","","10.1039/a908706k","","","0.7107","MoKα","","0.018","0.0179","","","0.0455","0.0456","","","1.097","","","","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7119502","9.2808","0.0003","13.3894","0.0005","23.6283","0.0009","90","","90","","90","","2936.16","0.18","190","2","190","2","","","","","","","","4","P b c 21","P 2c -2b","29","","4-methoxy-6-oxo-5,8,9,10,11,11a-hexahydro-6H- pyrido[1,2-c]quinazolin-10-yl acetate","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Sawant, Rajiv T.; Stevens, Marc Y.; Odell, Luke R.","Acetic acid-promoted cascade N-acyliminium ion/aza-Prins cyclization: stereoselective synthesis of functionalized fused tricyclic piperidines.","Chemical communications (Cambridge, England)","2017","53","13","2110","2113","10.1039/c6cc09805c","","","0.71073","MoKα","","0.2445","0.1194","","","0.2486","0.3197","","","","","","1.016","","","","has coordinates","193690","2020-10-21","18:00:00",""
"7151917","3.8164","0.0001","12.722","0.0003","46.6476","0.0013","90","","90","","90","","2264.85","0.1","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C11 H10 Cl N3 O2 -","- C11 H10 Cl N3 O2 -","- C88 H80 Cl8 N24 O16 -","8","2","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0454","0.0403","","","0.0874","0.0898","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7153630","4.0838","0.0004","14.2493","0.0013","23.294","0.002","90","","90","","90","","1355.5","0.2","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C12 H6 Cl I2 N3 -","- C12 H6 Cl I2 N3 -","- C48 H24 Cl4 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0529","0.0429","","","0.0796","0.0844","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153635","4.104","0.0001","22.5488","0.0007","25.9538","0.001","90","","90","","90","","2401.77","0.13","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C10 H5 I2 N3 S -","- C10 H5 I2 N3 S -","- C80 H40 I16 N24 S8 -","8","2","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0466","0.0441","","","0.1001","0.1015","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7159081","6.03944","0.00015","12.8249","0.0003","27.8674","0.0008","90","","90","","90","","2158.48","0.1","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","2","","Liu, Wen; Wang, Liang; Mu, Haiping; Zhang, Qian; Fang, Zeguo; Li, Dong","Synthesis of cyano-substituted γ-lactams through a copper-catalyzed cascade cyclization/cyanation reaction.","Organic & biomolecular chemistry","2023","","","","","10.1039/d2ob02086f","","x-ray","1.54184","CuKα","","0.063","0.0472","","","0.1161","0.1326","","","","","","1.032","","","","has coordinates","280409","2023-01-18","03:32:59",""
"7204653","5.912","0.001","8.043","0.001","25.07","0.002","90","","90","","90","","1192.1","0.3","293","2","293","2","","","","","","","","3","P b c 21","P 2c -2b","29","cis-2-benzoyl-3-hydroxy-2,3-dihydrobenzofuran (8a)","cis-2-benzoyl-3-hydroxy-2,3-dihydrobenzofuran (8a)","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Kazuhiro Yoshizawa; Shinji Toyota; Fumio Toda; Ingeborg Csöregh","Preparative and mechanistic studies of solvent-free Rap‒Stoermer reactions","Green Chem.","2003","5","3","353","356","10.1039/b303802p","","","0.71073","MoKa","","0.0532","0.0411","","0.1043","0.102","","","","1.06","1.092","1.092","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7219679","9.837","0.002","16.124","0.004","8.643","0.003","90","","90","","90","","1370.9","0.6","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1254","0.088","","","0.235","0.2702","","","","","","1.089","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219754","17.3964","0.0014","11.7965","0.001","6.9851","0.0005","90","","90","","90","","1433.5","0.2","298","2","298","2","","","","","","","","5","P b c 21","P 2c -2b","29","Piroxicam: Form Alpha1","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.0812","0.0545","","","0.1097","0.1213","","","","","","1.117","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7222070","9.0198","0.0015","10.7769","0.0018","14.653","0.002","90","","90","","90","","1424.4","0.4","150","2","150","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0889","0.056","","","0.1133","0.1282","","","","","","1.02","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7227822","13.2615","0.0003","18.7662","0.0003","16.7948","0.0002","90","","90","","90","","4179.69","0.13","293","2","293","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C32 Cl8 Cs4 N8 O9 -","- C32 Cl8 Cs4 N8 O9 -","- C128 Cl32 Cs16 N32 O36 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0517","0.0506","","","0.1296","0.1314","","","","","","1.018","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7233865","13.945","0.0002","7.63438","0.00009","19.5974","0.0003","90","","90","","90","","2086.37","0.05","100","2","100","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C20 H24 F4 N6 O -","- C20 H24 F4 N6 O -","- C80 H96 F16 N24 O4 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","1.54184","CuKα","","0.0431","0.0425","","","0.1189","0.1204","","","","","","1.031","","","","has coordinates","218311","2020-10-21","18:00:00",""
"7234804","9.2925","0.0017","17.4748","0.0016","11.801","0.0014","90","","90","","90","","1916.3","0.5","295","2","295","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1488","0.0719","","","0.1572","0.195","","","","","","1.034","","","","has coordinates","220343","2020-10-21","18:00:00",""
"8102032","9.481","0.001","12.073","0.001","30.079","0.005","90","","90","","90","","3443","0.7","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","(N-t-butyl-3,4-diphenyl-1,2-oxazetidin-4-yl)methanol","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C152 H184 N8 O16 -","8","2","","Florio, S.; Capriati, V.; Luisi, R.; Salomone, A.; Cuocci, C.","Crystal structure of (N-tert-butyl-3,4-diphenyl-1,2-oxazetidin-4-yl) methanol, C~19~H~23~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","398","400","","","","0.71073","MoKα","","0.1396","0.0771","","","0.1813","0.2173","","","","","","1.03","","","","has coordinates","176728","2020-10-21","18:00:00",""
"9000465","17.149","","22.236","","6.667","","90","","90","","90","","2542.29","","","","","","","","","","","","","5","P b c 21","","","","","Scholzite","- Ca H4 O10 P2 Zn2 -","- Ca H4 O10 P2 Zn2 -","- Ca12 H48 O120 P24 Zn24 -","12","3","","Taxer, K. J.","Structural investigations on scholzite","American Mineralogist","1975","60","","1019","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9001029","8.26","","17.086","","9.654","","90","","90","","90","","1362.47","","","","","","","","","","","","","5","P b c 21","","","","","Lisetite","- Al3.96 Ca0.98 Na1.97 O16 Si4.04 -","- Al3.96 Ca0.98 Na1.97 O16 Si4.04 -","- Al15.84 Ca3.92 Na7.88 O64 Si16.16 -","4","1","","Rossi, G.; Oberti, R.; Smith, D. C.","Crystal structure of lisetite, CaNa2Al4Si4O16","American Mineralogist","1986","71","","1378","1383","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9009919","5.068","","5.26","","5.077","","90","","90","","90","","135.341","","","","","","","","","","","","","2","P b c 21","P 2c -2b","29","","","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Kisi, E. H.; Howard, C. J.; Hill, R. J.","Crystal structure of orthorhombic zirconia in partially stabilized zirconia","Journal of the American Ceramic Society","1989","72","","1757","1760","10.1111/j.1151-2916.1989.tb06322.x","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""