# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T09:12:05+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 n 1' 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
"1007258","15.66","0.05","6.314","0.005","9.818","0.005","90","","105.4","0.5","90","","935.9","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","Telluric acid - ammonium dihydrogenphoshate - diammonium hydrogenphosphate (1/2/1)","","- H27 N4 O18 P3 Te -","- H49 N4 O18 P3 Te -","- H98 N8 O36 P6 Te2 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of ammonium phosphate tellurate Te (O H)6 (N H4 H2 P O4)2 (N H4)2 H P O4 (T.A.A.P.). Crystal data for two isotypic salts: Te (O H)6 (K H2 P O4)2 K2 H P O4 and Te (O H)6 (N H4 H2 As O4)2 (N H4)2 H As O4","Ferroelectrics","1984","52","","271","279","10.1080/00150198408209395","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009030","7.02","","5.44","","5.24","","90","","90.1","","90","","200.1","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Disodium zinc silicate","","- Na2 O4 Si Zn -","- Na2 O4 Si Zn -","- Na4 O8 Si2 Zn2 -","2","1","","Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E","The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4","Journal of Solid State Chemistry","1969","1","","1","5","10.1016/0022-4596(69)90001-2","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009057","7.17","","5.56","","5.32","","90","","90.1","","90","","212.1","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Disodium zinc germanate","","- Ge Na2 O4 Zn -","- Ge Na2 O4 Zn -","- Ge2 Na4 O8 Zn2 -","2","1","","Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E","The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4","Journal of Solid State Chemistry","1969","1","","1","5","10.1016/0022-4596(69)90001-2","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100976","8.5217","0.0012","5.1528","0.0008","13.719","0.002","90","","97.24","0.003","90","","597.61","0.15","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H10 Cd Cl2 N4 -","- C8 H10 Cd Cl2 N4 -","- C16 H20 Cd2 Cl4 N8 -","2","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0513","0.0443","","","0.1243","0.1358","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501543","16.8098","0.0013","10.8804","0.0009","40.022","0.003","90","","95.523","0.003","90","","7285.9","1","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 n 1","P -2yac","7","","","","- C178 H191 N O13 -","- C178 H191 N O13 -","- C356 H382 N2 O26 -","2","1","","Gagnon, Eric; Maris, Thierry; Wuest,James D","Triarylamines Designed to Form Molecular Glasses. Derivatives of Tris(p-terphenyl-4-yl)amine with Multiple Contiguous Phenyl Substituents","Organic Letters","2010","12","","404","407","10.1021/ol902841c","","","1.54178","CuKα","","0.0904","0.0798","","","0.2068","0.2188","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501998","8.5231","0.0004","29.4273","0.0012","11.1098","0.0005","90","","98.976","0.003","90","","2752.3","0.2","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H27 Br2 N O5 -","- C29 H27 Br2 N O5 -","- C116 H108 Br8 N4 O20 -","4","2","","Xia, Bing; Gerard, Baudouin; Solano, Danielle M.; Wan, Jiandi; Jones, 2nd, Guilford; Porco, Jr, John A","ESIPT-mediated photocycloadditions of 3-hydroxyquinolinones: development of a fluorescence quenching assay for reaction screening.","Organic letters","2011","13","6","1346","1349","10.1021/ol200032f","","","0.71073","MoKα","","0.0869","0.0471","","","0.0985","0.1118","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503445","10.557","0.007","10.13","0.006","10.861","0.007","90","","110.844","0.01","90","","1085.5","1.2","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","2","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.1505","0.1262","","","0.3396","0.3586","","","","","","1.381","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503536","11.03","0.005","8.972","0.005","12.853","0.005","90","0.005","91.448","0.005","90","0.005","1271.5","1","291","2","291","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H22 F N3 O4 S2 -","- C26 H22 F N3 O4 S2 -","- C52 H44 F2 N6 O8 S4 -","2","1","","Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles.","Organic letters","2012","14","2","490","493","10.1021/ol203081x","","","0.71073","MoKα","","0.0354","0.0323","","","0.0844","0.0865","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504347","6.6343","0.0013","20.033","0.004","15.188","0.003","90","","97.73","0.03","90","","2000.2","0.7","140","2","140","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C17 H28 Cl2 N3 O P Ru -","- C17 H28 Cl2 N3 O P Ru -","- C68 H112 Cl8 N12 O4 P4 Ru4 -","4","2","","Casini, Angela; Gabbiani, Chiara; Sorrentino, Francesca; Rigobello, Maria Pia; Bindoli, Alberto; Geldbach, Tilmann J.; Marrone, Alessandro; Re, Nazzareno; Hartinger, Christian G.; Dyson, Paul J.; Messori, Luigi","Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds.","Journal of medicinal chemistry","2008","51","21","6773","6781","10.1021/jm8006678","","","0.71073","MoKα","","0.046","0.0354","","","0.061","0.0649","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505318","20.39","0.004","18.3","0.004","22.938","0.005","90","","92.504","0.004","90","","8551","3","113","2","113","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C82 H86 F24 N7 O8.5 P4 -","- C82 H85 F24 N7 O8.5 P4 -","- C328 H340 F96 N28 O34 P16 -","4","2","","Peng, Xiao-Xia; Lu, Hai-Yan; Han, Tao; Chen, Chuan-Feng","Synthesis of a novel triptycene-based molecular tweezer and its complexation with paraquat derivatives.","Organic letters","2007","9","5","895","898","10.1021/ol070017n","","","0.7107","MoKα","","0.1033","0.0913","","","0.2487","0.2654","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505679","9.705","0.001","5.644","0.0006","15.603","0.0016","90","","98.293","0.002","90","","845.72","0.15","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C42 H32 F2 N6 O4 -","2","1","","Nie, Aihua; Huang, Ziwei","Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives","Journal of Combinatorial Chemistry","2006","8","5","655","","10.1021/cc060085l","","","0.71073","MoKα","","0.0285","0.0284","","","0.0723","0.0723","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506026","9.0868","0.0016","9.7252","0.0018","9.844","0.0017","90","","107.272","0.013","90","","830.7","0.3","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C17 H19 Cl N2 S -","- C17 H19 Cl N2 S -","- C34 H38 Cl2 N4 S2 -","2","1","","Zhu, Yulin; Huang, Shenlin; Wan, Jieping; Yan, Lei; Pan, Yuanjiang; Wu, Anxin","Two novel diastereoselective three-component reactions of alkenes or 3,4-dihydro-(2H)-pyran with urea/thiourea-aldehyde mixtures: [4 + 2] cycloaddition vs Biginelli-type reaction.","Organic letters","2006","8","12","2599","2602","10.1021/ol060874b","","","0.71073","MoKα","","0.0324","0.028","","","0.0669","0.0682","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506497","17.22","0.002","8.4231","0.001","21.729","0.003","90","","110.017","0.002","90","","2961.3","0.6","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","compound 3e","26,28-dihydroxy-4,6,16,18-tetranitro-2,8,14,20-tetraoxacalix[4]arene","","- C28 H18 N6 O14 -","- C28 H18 N6 O14 -","- C112 H72 N24 O56 -","4","2","","Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R.","Synthesis of functionalized oxacalix[4]arenes.","Organic letters","2005","7","1","91","94","10.1021/ol047840t","","","0.71073","MoKα","","0.0825","0.0523","","","0.1266","0.147","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506534","4.5341","0.0005","33.343","0.004","14.4556","0.0017","90","","93.812","0.002","90","","2180.6","0.4","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","3mepy-ur-ICCCCI","1-5 Co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C72 H56 I8 N16 O8 -","4","2","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.1251","0.0686","","","0.2128","0.1944","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506740","9.3647","0.0007","10.3859","0.0007","13.1874","0.0008","90","","91.777","0.004","90","","1282","0.15","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 n 1","P -2yac","7","","","","- C10 H11 F3 N2 O3 S -","- C10 H11 F3 N2 O3 S -","- C40 H44 F12 N8 O12 S4 -","4","2","","Charette, André B; Mathieu, Simon; Martel, Jonathan","Electrophilic activation of lactams with Tf2O and pyridine: expedient synthesis of (+/-)-tetraponerine T4.","Organic letters","2005","7","24","5401","5404","10.1021/ol052069n","","","1.54178","CuKα","","0.0709","0.0632","","","0.1686","0.176","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507258","8.681","0.003","7.913","0.002","8.884","0.003","90","","91.96","0.03","90","","609.9","0.3","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C11 H16 O5 -","- C11 H18 O6 -","- C22 H36 O12 -","2","1","","Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D","Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach.","Organic letters","2003","5","5","641","644","10.1021/ol027332o","","","0.71069","MoKα","","0.0405","0.0381","","","0.1012","0.1036","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508036","13.2539","0.0003","16.3059","0.0003","21.3757","0.0004","90","","90.561","0.001","90","","4619.43","0.16","100","2","100","2","","","","","","","","9","P 1 n 1","P -2yac","7","7a","","","- C98 H81 B F24 Fe N O3 P3 Si -","- C98 H81 B F24 Fe N O3 P3 Si -","- C196 H162 B2 F48 Fe2 N2 O6 P6 Si2 -","2","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0336","0.0329","","","0.0911","0.0915","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508402","6.25","0.08","7.88","0.06","5.43","0.03","90","","105.2","","90","","258","4","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Lithium Trihydrogen Bis(selenate(IV))","","- H3 Li O6 Se2 -","- H3 Li O6 Se2 -","- H6 Li2 O12 Se4 -","2","1","","Vedam, K.; Okaya, Y.; Pepinsky, R.","Crystal structure of ferroelectric LiH3(SeO3)2","Physical Review","1960","119","4","1252","1255","10.1103/PhysRev.119.1252","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1509701","6.9732","","5.4967","","5.4199","","90","","89.562","","90","","207.736","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Ag2 Zn (Si O4)","","- Ag2 O4 Si Zn -","- Ag2 O4 Si Zn -","- Ag4 O8 Si2 Zn2 -","2","1","","Hoerlin, T.; Vaivars, G.; Grins, J.","Synthesis, structure and conductivity of Ag2 Zn Si O4, Ag2 Zn Ge O4 and Ag2 Be Si O4","Solid State Ionics","1995","78","","259","267","10.1016/0167-2738(95)00000-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509763","5.95492","","6.31001","","9.58082","","90","","92.4823","","90","","359.667","","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Ag2 Bi O3 -","- Ag2 Bi O3 -","- Ag8 Bi4 O12 -","4","2","","Dinnebier, R.E.; Jansen, M.; Ibberson, R.M.; Oberndorfer, C.P.M.","Charge ordering in Ag2 Bi O3","Solid State Sciences","2006","8","","267","276","10.1016/j.solidstatesciences.2006.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509810","7.1254","","5.609","","5.4997","","90","","89.754","","90","","219.801","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Ag2 Zn (Ge O4)","","- Ag2 Ge O4 Zn -","- Ag2 Ge O4 Zn -","- Ag4 Ge2 O8 Zn2 -","2","1","","Hoerlin, T.; Grins, J.; Vaivars, G.","Synthesis, structure and conductivity of Ag2 Zn Si O4, Ag2 Zn Ge O4 and Ag2 Be Si O4","Solid State Ionics","1995","78","","259","267","10.1016/0167-2738(95)00000-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509969","7.453","","7.4026","","10.5401","","90","","90.069","","90","","581.514","","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","Ag7 (Ta S6)","","- Ag7 S6 Ta -","- Ag7 S6 Ta -","- Ag14 S12 Ta2 -","2","1","","Ishii, M.; Wada, H.; Onoda, M.","Crystal structure model of a low-temperature phase (phase II) of argyrodite-family Ag7 Ta S6","Solid State Ionics","1996","86","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513422","8.4401","0.0003","24.4463","0.0015","31.1399","0.0011","90","","94.948","0.003","90","","6401.1","0.5","160","2","160","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H40 Cl F6 N2 P -","- C34 H40 Cl F6 N2 P -","- C272 H320 Cl8 F48 N16 P8 -","8","4","","Véron, Anna C; Zhang, Hui; Linden, Anthony; Nüesch, Frank; Heier, Jakob; Hany, Roland; Geiger, Thomas","NIR-Absorbing Heptamethine Dyes with Tailor-Made Counterions for Application in Light to Energy Conversion.","Organic letters","2014","16","4","1044","1047","10.1021/ol4034385","","","0.71073","MoKα","","0.0696","0.0559","","","0.1377","0.1467","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513762","11.7926","0.0008","9.4147","0.0006","14.555","0.001","90","","101.906","0.001","90","","1581.19","0.18","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H33 Cl3 N2 Pd -","- C34 H33 Cl3 N2 Pd -","- C68 H66 Cl6 N4 Pd2 -","2","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang","Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes","Polymer Chemistry","2014","5","4","1210","","10.1039/c3py01092a","","","0.71073","MoKα","","0.0227","0.0213","","","0.0564","0.0575","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516502","11.7724","0.0002","13.4968","0.0003","12.2285","0.0003","90","","110.968","0.002","90","","1814.32","0.07","133","2","133","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -","- C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -","- C50 H70 Cl8 N10 O12 Ru4 S12 -","4","2","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0238","0.0235","","","0.0634","0.0637","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517042","9.47","0.0013","8.8874","0.0012","11.3366","0.0015","90","","94.809","0.002","90","","950.8","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C17 H24 N4 O5 Zn -","- C17 H24 N4 O5 Zn -","- C34 H48 N8 O10 Zn2 -","2","1","","Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang","A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane","Inorganica Chimica Acta","2013","402","","25","32","","","","0.71073","MoKα","","0.0518","0.0447","","","0.1204","0.1289","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518251","15.2666","0.0006","16.9177","0.0006","25.577","0.001","90","","97.658","0.002","90","","6547","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","Complex 6","","","- C61 H60 B Cl0 F20 N4 Nb -","- C61 H60 B F20 N4 Nb -","- C244 H240 B4 F80 N16 Nb4 -","4","2","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0569","0.0428","","","0.093","0.1007","","","","","","0.984","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1519068","10.982","0.002","10.614","0.003","17.487","0.003","90","","91.64","0.01","90","","2037.5","0.8","","","293","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- Cs6 H5 Mo10 O42 P V2 -","- Cs6 Mo10.01 O39 P V1.99 -","- Cs12 Mo20.02 O78 P2 V3.98 -","2","1","","Hashimoto, Masato; Selling, Anna; Hakansson, Mikael; Pettersson, Lage","Multicomponent Polyanions. 52. Crystal Structure of Hexacaesium Monohydrogen Decamolybdo(VI)divanado(IV)phosphate(7‒) Dihydrate.","Acta Chemica Scandinavica","1999","53","","305","313","","","x-ray","0.71069","MoKα","","","0.0485","","","0.1362","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519105","13.8684","0.0008","17.492","0.001","22.5","0.001","90","","102.147","0.001","90","","5336","0.5","","","293","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C24 H134 B6 N26 O87 P12 V12 -","- C24 B6 N16 O89 P12 V12 -","- C48 B12 N32 O178 P24 V24 -","2","1","","Junghwan Do; Li-Min Zheng; Ranko P. Bontchev; Allan J. Jacobson","Synthesis, structure and magnetic properties of (NH4)2(C3H12N3)8[V2P2BO12]6.15H2O","Solid State Sciences","2000","2","","343","351","","","x-ray","0.71073","MoKα","","","0.0468","","","0.132","","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519522","13.2385","0.0004","16.9228","0.0005","15.0678","0.0004","90","","99.944","0.002","90","","3324.96","0.17","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H48 Cl2 N4 O2 -","- C34 H48 Cl2 N4 O2 -","- C136 H192 Cl8 N16 O8 -","4","2","","Shi, A. J.; Hursthouse, Michael B.; Light, Mark E.; Carniolo, S.; Gale, Phil A.","Tetrabutylammonium N,N'-diphenyl-3,4-dichloropyrrolate-2,5-dicarboxamide","Crystal Structure Report Archive","2002","","","53","","","","","0.71073","MoKα","","0.0819","0.0476","","","0.0868","0.0984","","","","","","0.988","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1520064","7.8","0.0016","8.2","0.0016","8.6","0.0017","90","","115.4","0.03","90","","496.9","0.2","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 H2 N10 O7 -","- C4 H2 N10 O7 -","- C8 H4 N20 O14 -","2","1","","Zhang, Jiaheng; Shreeve, Jean’ne M.","Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties","The Journal of Physical Chemistry C","2015","119","23","12887","","10.1021/acs.jpcc.5b03714","","","0.71073","MoKα","","0.0352","0.035","","","0.0815","0.0816","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520283","9.8278","0.0004","9.4884","0.0005","12.0388","0.0005","90","","94.74","0.003","90","","1118.78","0.09","120","2","120","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C25 H23 B Br O2 P -","- C25 H23 B Br O2 P -","- C50 H46 B2 Br2 O4 P2 -","2","1","","Tizzard, Graham J.; Hursthouse, Michael B.; Spencer, John","C31H33O2BBrP","Crystal Structure Report Archive","2009","","","1047","","","","","0.71073","MoKα","","0.0565","0.0428","","","0.0799","0.0846","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520381","4.6265","0.0004","5.6189","0.0006","38.026","0.004","90","","90.753","0.004","90","","988.43","0.17","90","","90","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C21 H31 N3 O2 -","- C21 H31 N3 O2 -","- C42 H62 N6 O4 -","2","1","","Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki","Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism.","The journal of physical chemistry. A","2015","119","24","6223","6231","10.1021/acs.jpca.5b02850","","","1.54187","CuKα","","0.1511","0.0903","","","0.2308","0.301","","","","","","1.131","","","","has coordinates","140174","2020-10-21","18:00:00",""
"1520514","11.2988","0.0018","5.7063","0.0009","14.045","0.002","90","","102.129","0.004","90","","885.3","0.2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H24 O4 S -","- C20 H24 O4 S -","- C40 H48 O8 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0292","0.0275","","","0.0662","0.067","","","","","","1.042","","","","has coordinates","140267","2020-10-21","18:00:00",""
"1520562","11.616","0.0003","18.2419","0.0005","11.617","0.0003","90","","94.1589","0.0015","90","","2455.14","0.11","100","2","99.98","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C46 H46 Cl2 F6 O14 S2 -","- C46 H46 Cl2 F6 O14 S2 -","- C92 H92 Cl4 F12 O28 S4 -","2","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","1.54178","CuKα","","0.0484","0.0471","","","0.1249","0.1264","","","","","","1.041","","","","has coordinates,has disorder","140261","2020-10-21","18:00:00",""
"1520709","21.91216","0.00013","32.64068","0.00017","35.0386","0.0002","90","","98.2694","0.0006","90","","24800","0.2","123","0.1","123","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 -","- C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 -","- C649.9 H447.1 Cu8 N195.3 Na23 O231.1 S32 Zn24 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","1.54184","CuKα","","0.0699","0.0663","","","0.1866","0.1937","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1522997","6.2554","","7.8823","","5.4339","","90","","105.325","","90","","258.402","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Li H3 (Se O3)2","","- H3 Li O6 Se2 -","- H3 Li O6 Se2 -","- H6 Li2 O12 Se4 -","2","1","","Tellgren, R.; Liminga, R.","Hydrogen bond studies. 54. A neutron diffraction study of the ferroelectric lithium trihydrogen selenite, Li H3 (Se O3)2","Journal of Solid State Chemistry","1972","4","","255","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526126","15.119","","4.58","","15.119","","90","","117.86","","90","","925.57","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","(N H4) (H S O4)","","- H5 N O4 S -","- N O4 S -","- N8 O32 S8 -","8","4","","Nelmes, R.J.","The structure of ammonium hydrogen sulphate in its ferroelectric phase and the ferroelectric transition","Ferroelectrics","1972","4","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534527","7.462","","9.241","","10.103","","90","","110.731","","90","","651.559","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Cs (Ga2 P5 O16)","","- Cs Ga2 O16 P5 -","- Cs Ga2 O16 P5 -","- Cs2 Ga4 O32 P10 -","2","1","","Lesage, J.; Raveau, B.; Guesdon, A.","New gallium pentaphosphates : AGa2P5O16 (A = Rb, Cs)","Solid State Sciences","2004","6","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534531","7.4058","","9.2151","","10.0912","","90","","110.768","","90","","643.928","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Rb (Ga2 P5 O16)","","- Ga2 O16 P5 Rb -","- Ga2 O16 P5 Rb -","- Ga4 O32 P10 Rb2 -","2","1","","Lesage, J.; Guesdon, A.; Raveau, B.","New gallium pentaphosphates: A Ga2 P5 O16 (A = Rb, Cs)","Solid State Sciences","2004","6","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534842","6.429","","10.326","","11.013","","90","","90","","90","","731.107","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","(N H4)5 (P3 O10) (H2 O)","","- H22 N5 O11 P3 -","- H22 N5 O11 P3 -","- H44 N10 O22 P6 -","2","1","","Lyakhov, A.S.; Palkina, K.K.; Selevich, A.F.","Crystal structure of ammonium triphosphate hydrate (N H4)5 P3 O10 .(H2 O)","Zhurnal Neorganicheskoi Khimii","1994","39","","1438","1442","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1535170","10.314","","9.663","","5.768","","90","","91.23","","90","","574.731","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","Na (D2.824 H.176) (Se O3)2","","- D2.824 H0.176 Na O6 Se2 -","- D2.824 H0.176 Na O6 Se2 -","- D11.296 H0.704 Na4 O24 Se8 -","4","2","","McMullan, R.K.; Nagle, J.F.; Thomas, R.","Structures of the paraelectric and ferroelectric phases of Na D3 (Se O3)2 by neutron diffraction: A vertex model for the ordered ferroelectric state","Journal of Chemical Physics","1982","77","","537","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535186","7.219","","11.139","","10.708","","90","","91.86","","90","","860.603","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","La (I O3)3 (H2 O)0.5","","- H I3 La O9.5 -","- I3 La O9.5 -","- I12 La4 O38 -","4","2","","Hector, A.L.; Henderson, S.; Levason, W.; Webster, M.","Hydrothermal synthesis of scandium, yttrium and lanthanide iodates from the corresponding periodates: X-ray crystal structures of Sc (I O3)3, Y (I O3)3 * 2(H2 O), La (I O3)3 * 1/2(H2 O) and Lu (I O3)3 * 2(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","198","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537469","14.18","","11.5","","17.73","","90","","102.3","","90","","2824.86","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","(Al13 (OH)24 O4 (H2O)12) (S O4)3 (H2 O)16","","- Al13 H79 O68 S3 -","- Al13 O68 S3 -","- Al26 O136 S6 -","2","1","","Johansson, G.","On the crystal structure of the basic aluminum sulfate (Al2 O3)13 (S O3)6 (H2 O)79","Arkiv foer Kemi","1963","20","","321","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"1540617","14.188","0.0006","5.8892","0.0003","15.3276","0.0006","90","","103.795","0.002","90","","1243.77","0.1","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C30 H26 O3 S -","- C30 H26 O3 S -","- C60 H52 O6 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.0509","0.0369","","","0.102","0.1294","","","","","","1.158","","","","has coordinates","170765","2020-10-21","18:00:00",""
"1540748","9.666","0.0004","17.7362","0.0008","17.9259","0.0007","90","","104.302","0.002","90","","2977.9","0.2","100.08","","100.08","","","","","","","","","6","P 1 n 1","P -2yac","7","[(18-crown-6)K]2[Fe(C3S5)2]","","","- C42 H72 Fe K2 O15 S10 -","- C42 H72 Fe K2 O15 S10 -","- C84 H144 Fe2 K4 O30 S20 -","2","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.0425","0.0329","","","0.0852","0.1227","","","","","","1.158","","","","has coordinates,has disorder","171864","2020-10-21","18:00:00",""
"1543451","10.2168","0.0002","8.9068","0.0001","14.1388","0.0002","90","","96.912","0.001","90","","1277.27","0.03","143","2","143","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C33 H25 B F4 Ni -","- C33 H25 B F4 Ni -","- C66 H50 B2 F8 Ni2 -","2","1","","Craig, Peter R.; Havlas, Zdeněk; Trujillo, Marianela; Rempala, Pawel; Kirby, James P.; Miller, John R.; Noll, Bruce C.; Michl, Josef","Electronic Spectra of the Tetraphenylcyclobutadienecyclopentadienylnickel(II) Cation and Radical.","The journal of physical chemistry. A","2016","120","20","3456","3462","10.1021/acs.jpca.6b00648","","","0.71073","MoKα","","0.0473","0.0414","","","0.0935","0.0961","","","","","","1.038","","","","has coordinates","183547","2020-10-21","18:00:00",""
"1543496","7.7437","0.0016","24.157","0.005","14.585","0.003","90","","91.656","0.004","90","","2727.2","1","173.15","","173.15","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C58 H56 O20 -","- C58 H56 O20 -","- C116 H112 O40 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Functionalized O6-Corona[6]arenes: Synthesis, Structure, and Fullerene Complexation Property.","Organic letters","2016","18","13","3126","3129","10.1021/acs.orglett.6b01330","","","0.71073","MoKα","","0.0923","0.0793","","","0.1723","0.1833","","","","","","1.103","","","","has coordinates,has disorder","184950","2020-10-21","18:00:00",""
"1544326","17.6742","0.0003","13.931","0.0002","24.3295","0.0004","90","","107.34","0.0008","90","","5718.15","0.16","243","2","243","2","","","","","","","","8","P 1 n 1","P -2yac","7","","[Os(bpy)2(dppcb)Pd(dppm)](PF6)4","","- C99.54 H82 Cl5.08 F24 N4 Os P10 Pd -","- C99.54 H82 Cl5.08 F24 N4 Os P10 Pd -","- C199.08 H164 Cl10.16 F48 N8 Os2 P20 Pd2 -","2","1","","Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa","Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production","Faraday Discuss.","2016","","","","","10.1039/C6FD00210B","","","0.71073","MoKα","","0.089","0.058","","","0.1184","0.1295","","","","","","1.027","","","","has coordinates","187445","2020-10-21","18:00:00",""
"1545239","6.881","0.002","17.376","0.004","6.923","0.002","90","","92.34","0.02","90","","827.1","0.4","","","296","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- H16 La2 O20 S3 -","- La2 O20 S3 -","- La4 O40 S6 -","2","1","","Vanderpool, Richard A.; Khan, Masood A.; Frech, Roger","Structure and Raman spectra of single-crystal La2(SO4)3.8H2O","Journal of Molecular Structure","1991","245","","255","273","10.1016/0022-2860(91)87101-M","","x-ray","0.71069","MoKα","","","0.035","","","0.041","","","","","","","","","","","has coordinates","191939","2020-10-21","18:00:00",""
"1545711","12.2007","0.0006","20.9116","0.001","17.3413","0.0008","90","","107.773","0.001","90","","4213.2","0.3","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C88 H108 B2 F6 N6 O3 Te2 -","- C88 H108 B2 F6 N6 O3 Te2 -","- C176 H216 B4 F12 N12 O6 Te4 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0317","0.0283","","","0.0652","0.067","","","","","","1.016","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546746","7.0301","0.0003","10.1171","0.0005","9.2007","0.0004","90","","101.433","0.004","90","","641.41","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H18 Cl O2 Sc -","- C12 H18 Cl O2 Sc -","- C24 H36 Cl2 O4 Sc2 -","2","1","","Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02018J","","x-ray","0.71073","MoKα","","0.0407","0.04","","","0.1167","0.1173","","","","","","1.08","","","","has coordinates","199417","2020-10-21","18:00:00",""
"1546929","5.023","0.0004","5.9846","0.0004","5.4946","0.0005","90","","114.654","0.008","90","","150.11","0.02","100","","100","","0","","","","","","","4","P 1 n 1","P -2yac","7","","epsilon-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","1.36489","","","","","","","has coordinates","200123","2020-10-21","18:00:00",""
"1547463","9.8771","0.001","10.6875","0.001","36.521","0.004","90","","96.428","0.003","90","","3831","0.7","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C24 H17 F3 N2 O2 -","- C24 H17 F3 N2 O2 -","- C192 H136 F24 N16 O16 -","8","4","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.71073","MoKα","","0.0938","0.085","","","0.2226","0.2302","","","","","","1.076","","","","has coordinates,has disorder","201485","2020-10-21","18:00:00",""
"1547566","3.8868","0.0003","5.4329","0.0005","10.8693","0.001","90","","97.068","0.005","90","","227.78","0.03","110","2","110","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","1","","Rozen, Shlomo; Shaffer, Avshalom","Synthesis of N,N-Dioxopyridazines.","Organic letters","2017","19","18","4707","4709","10.1021/acs.orglett.7b02310","","","0.71073","MoKα","","0.0316","0.0292","","","0.071","0.0731","","","","","","1.092","","","","has coordinates","201717","2020-10-21","18:00:00",""
"1547642","6.2851","0.0002","16.6804","0.0005","9.9664","0.0003","90","","96.0995","0.0014","90","","1038.94","0.06","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H28 N2 O5 S -","- C20 H28 N2 O5 S -","- C40 H56 N4 O10 S2 -","2","1","","Gaunt, Matthew J.; Hogg, Kirsten F.; Trowbridge, Aaron; Álvarez-Pérez, Andrea","The α-Tertiary Amine Motif Drives Remarkable Selectivity for Pd-Catalyzed Carbonylation of β-methylene C‒H bonds","Chem. Sci.","2017","","","","","10.1039/C7SC03876C","","","0.71073","MoKα","","0.0552","0.0421","","","0.0972","0.1051","","","","","","1.016","","","","has coordinates","201869","2020-10-21","18:00:00",""
"1548875","10.6009","0.0005","13.8331","0.0007","11.0738","0.0005","90","","103.867","0.002","90","","1576.57","0.13","100","2","100","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C36 H78 Ag2 B20 N4 O14 P4 Ru2 -","2","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.025","0.0215","","","0.0379","0.0387","","","","","","1.031","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1549629","12.8973","0.0007","12.5342","0.0006","17.2106","0.0008","90","","98.668","0.002","90","","2750.4","0.2","100","2","100.04","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C48 H86 B Fe K2 N2 O6 P3 -","- C48 H86 B Fe K2 N2 O6 P3 -","- C96 H172 B2 Fe2 K4 N4 O12 P6 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0408","0.0315","","","0.0658","0.069","","","","","","1.021","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1550019","11.0583","0.0001","10.7138","0.0001","21.6433","0.0003","90","","91.862","0.001","90","","2562.87","0.05","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","A4","","","- C38 H23 N3 O26 S8 -","- C38 H22 N3 O26 S8 -","- C76 H44 N6 O52 S16 -","2","1","","Jeamet, Emeric; Septavaux, Jean; Héloin, Alexandre; Donnier-Maréchal, Marion; Dumartin, Melissa; OURRI, Benjamin; Mandal, Pradeep Kumar; Huc, Ivan; Bignon, Emmanuelle; Dumont, Elise; Morell, Christophe; Francoia, Jean-Patrick; PERRET, Florent; Vial, Laurent; Leclaire, Julien","Wetting the lock and key enthalpically favours polyelectrolytes binding","Chemical Science","2018","","","","","10.1039/C8SC02966K","","","1.54184","CuKα","","0.0655","0.0633","","","0.1758","0.1818","","","","","","0.987","","","","has coordinates,has disorder","211351","2020-10-21","18:00:00",""
"1550171","16.1793","0.0014","37.93","0.003","17.4798","0.0015","90","","105.636","0.003","90","","10330","1.5","100","","100","","","","","","","","see text","4","P 1 n 1","P -2yac","7","","","","- C50 H75 Cu3 Zn4 -","- C50 H75 Cu3 Zn4 -","- C400 H600 Cu24 Zn32 -","8","4","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.047","0.0408","","","0.0958","0.0993","","","","","","1.061","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550824","8.559","0.004","24.701","0.009","17.801","0.008","90","","90","","90","","3763","3","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H19 N3 O4 -","- C22 H17.5 N3 O4 -","- C176 H140 N24 O32 -","8","4","","Manna, Amit Kumar; Rout, Kalyani; Chowdhury, Shubhamoy; Patra, Goutam K.","A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni<sup>2+</sup> and colorimetric detection of Cu<sup>2</sup>.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","6","1512","1525","10.1039/c9pp00114j","","","0.71073","MoKα","","0.1612","0.0788","","0.2611","0.1789","0.2595","","","","","","0.94","","","","has coordinates","225321","2020-10-21","18:00:00",""
"1551413","15.0023","0.0014","6.9693","0.0009","17.7197","0.0015","90","","112.945","0.002","90","","1706.1","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H15 N3 O3 Pd -","- C21 H15 N3 O3 Pd -","- C84 H60 N12 O12 Pd4 -","4","2","","Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle","Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination","Nature Chemistry","2018","10","","1126","1133","10.1038/s41557-018-0110-z","","x-ray","0.71073","MoKα","","0.0498","0.0461","","","0.1074","0.1095","","","","","","1.044","","","","has coordinates","215951","2020-10-21","18:00:00",""
"1552236","16.4939","0.0009","25.3561","0.0017","22.6197","0.0012","90","","90.756","0.004","90","","9459.2","1","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C60 H131 F K2 N4 O12 Si17 -","- C60 H131 F K2 N4 O12 Si17 -","- C240 H524 F4 K8 N16 O48 Si68 -","4","2","","Schiegerl, Lorenz; Karttunen, Antti J.; Klein, Wilhelm; Fässler, Thomas F","Silicon Clusters with Six and Seven Unsubstituted Vertices via a Two-step Reaction from Elemental Silicon","Chemical Science","2019","","","","","10.1039/C9SC03324F","","","0.71073","MoKα","","0.1411","0.0729","","","0.1606","0.188","","","","","","0.932","","","","has coordinates,has disorder","217547","2020-10-21","18:00:00",""
"1552376","16.5135","0.0007","31.9553","0.0016","19.1323","0.0009","90","","105.965","0.001","90","","9706.6","0.8","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 Al Cl3 F36 O4 Se -","- C15.996 Al Cl3 F35.994 O3.999 Se0.999 -","- C191.952 Al12 Cl36 F431.928 O47.988 Se11.988 -","12","6","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0611","0.0435","","","0.1051","0.1129","","","","","","1.006","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552889","7.2084","0.0002","10.4274","0.0004","17.7519","0.0006","90","","94.312","0.007","90","","1330.54","0.08","123","","123","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H11 B F2 N2 O -","- C16 H11 B F2 N2 O -","- C64 H44 B4 F8 N8 O4 -","4","2","","Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki","Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00410F","","","1.54187","CuKα","","0.0572","0.0451","","","0.0948","0.1035","","","","","","1.046","","","","has coordinates","227756","2020-10-21","18:00:00",""
"1556088","16.0687","0.0003","13.7323","0.0002","16.9464","0.0003","90","","113.932","0.002","90","","3417.91","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","[Ag3Cl2(dppa)3](NO3)","","- C72 H63 Ag3 Cl2 N4 O3 P6 -","- C72 H63 Ag3 Cl2 N4 O3 P6 -","- C144 H126 Ag6 Cl4 N8 O6 P12 -","2","1","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","x-ray","1.54184","CuKα","","0.0388","0.0381","","","0.1017","0.1029","","","","","","1.067","","","","has coordinates","242767","2020-10-21","18:00:00",""
"1556788","10.7653","0.0005","7.3634","0.0004","11.4066","0.0006","90","","109.025","0.002","90","","854.8","0.08","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","SD—A-1‒5 4-iodobenzoic acid, 1,2-bis(4-pyridyl)ethane","","- C19 H17 I N2 O2 -","- C19 H17 I N2 O2 -","- C38 H34 I2 N4 O4 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0703","0.0577","","","0.1428","0.1498","","","","","","1.117","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1557238","10.0221","0.0004","13.3021","0.0005","14.7578","0.0006","90","","95.633","0.002","90","","1957.94","0.13","193","2","193","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C58 H72 Au2 B20 Cl4 F12 P4 Sb2 -","2","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","x-ray","1.54178","CuKα","","0.0325","0.0308","","","0.0755","0.0767","","","","","","1.036","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557380","12.5252","0.0009","16.8071","0.0012","12.9207","0.0011","90","","90.786","0.002","90","","2719.7","0.4","153","2","153","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C60 H56 B2 F8 N2 O8 -","- C60 H56 B2 F7.852 N2 O8 -","- C120 H112 B4 F15.704 N4 O16 -","2","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.1604","0.0998","","","0.244","0.2992","","","","","","1.036","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557530","15.882","0.0018","21.676","0.002","25.338","0.003","90","","94.559","0.002","90","","8695.2","1.6","296","2","296","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C65 H116 Al2 Cd2 Mo24 N10 O137 P16 -","- C65 H86 Al2 Cd2 Mo24 N10 O137 P16 -","- C130 H172 Al4 Cd4 Mo48 N20 O274 P32 -","2","1","","Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang","Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes","Catalysis Science & Technology","2020","10","8","2593","2601","10.1039/D0CY00208A","","","0.71073","MoKα","","0.0374","0.0334","","","0.0883","0.0925","","","","","","1.057","","","","has coordinates,has disorder","257209","2020-10-21","18:00:00",""
"1557861","14.125","0.014","3.844","0.004","14.305","0.015","90","","119.046","0.017","90","","679","1.2","101","2","100.99","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C32 H16 N8 -","4","2","","Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng","Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01762","","x-ray","0.71073","MoKα","","0.1345","0.11","","","0.3139","0.3359","","","","","","1.152","","","","has coordinates","251056","2020-10-21","18:00:00",""
"1558161","10.2564","0.0007","6.5369","0.0005","10.9683","0.0009","90","","95.067","0.007","90","","732.5","0.1","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","Dipropylammonium 4-aminobenzenesulfonate","Dipropylazanium 4-aminobenzenesulfonate","","- C12 H22 N2 O3 S -","- C12 H22 N2 O3 S -","- C24 H44 N4 O6 S2 -","2","1","HB4347","Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François","Dipropylammonium 4-aminobenzenesulfonate","IUCrData","2020","5","5","x200659","","10.1107/S2414314620006598","","","0.71073","MoKα","","0.047","0.0388","","","0.0895","0.0966","","","","","","1.172","","","","has coordinates","252491","2020-10-21","18:00:00",""
"1559319","12.535","0.0005","17.446","0.0008","20.5667","0.0008","90","","96.552","0.002","90","","4468.3","0.3","100","2","99.99","","","","","","","","","6","P 1 n 1","P -2yac","7","(BDI)Nb(OC(H)O)(N[BO2C6H12]tBu)(NtBu)","Formato-(N-(tert-butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-amino)-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C44 H72 B N4 Nb O4 -","- C44 H72 B N4 Nb O4 -","- C176 H288 B4 N16 Nb4 O16 -","4","2","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0519","0.0384","","","0.0778","0.0847","","","","","","1.031","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559869","10.37","0.002","21.376","0.004","14.87","0.003","90","","90.74","0.02","90","","3295.9","1.1","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","Keinan-43 polymorph B","Decakis(t-butylsulfido)corannulene","","- C60 H90 S10 -","- C60 H90 S10 -","- C120 H180 S20 -","2","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.2521","0.0968","","","0.2413","0.3063","","","","","","0.872","","","","has coordinates","260155","2020-12-26","01:41:21",""
"1561794","11.4795","0.0001","8.8862","0.0001","15.9648","0.0001","90","","93.708","0.001","90","","1625.15","0.03","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H35 Cu2 N5 O14 -","- C29 H35 Cu2 N5 O14 -","- C58 H70 Cu4 N10 O28 -","2","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; Sánchez-Andújar, Manuel; Arriortua, María-Isabel","Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal","Journal of Solid State Chemistry","2015","230","","191","198","10.1016/j.jssc.2015.06.039","","","1.54184","CuKα","","0.0246","0.0242","","","0.0678","0.0681","","","","","","1.011","","","","has coordinates","264188","2021-04-15","07:31:11",""
"1562773","13.116","0.005","15.76","0.005","14.792","0.005","90","0.005","94.418","0.005","90","0.005","3048.5","1.8","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C30 H41 B Cu2 N6 O48 W12 -","- C30 H24 B Cu2 N6 O48 W12 -","- C60 H48 B2 Cu4 N12 O96 W24 -","2","1","","Pang, Haijun; Yang, Ming; Kang, Lu; Ma, Huiyuan; Liu, Bo; Li, Shaobin; Liu, Heng","An unusual 3D interdigitated architecture assembled from Keggin polyoxometalates and dinuclear copper(II) complexes","Journal of Solid State Chemistry","2013","198","","440","444","10.1016/j.jssc.2012.11.007","","","0.71069","MoKα","","0.0546","0.0432","","","0.0865","0.0925","","","","","","1.032","","","","has coordinates","265408","2021-05-21","07:52:29",""
"1563016","8.4324","0.001","9.1762","0.0011","9.5654","0.0012","90","","98.418","0.012","90","","732.17","0.16","295","2","295","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C4 H11 B F4 N2 -","- C4 H11 B F4 N2 -","- C16 H44 B4 F16 N8 -","4","2","","Wojtaś, M.; Gagor, A.; Czupiński, O.; Medycki, W.; Jakubas, R.","Crystal structure and characterization of the novel hydrogen bonded polar crystal","Journal of Solid State Chemistry","2012","187","","35","44","10.1016/j.jssc.2011.12.020","","","0.71073","MoKα","","0.1072","0.0508","","","0.1141","0.1363","","","","","","0.903","","","","has coordinates","265642","2021-06-01","07:49:16",""
"1563714","17.9783","0.0012","26.4928","0.0018","18.7771","0.0013","90","","112.71","0.0012","90","","8250.1","1","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C81 H186 Ag20 O27 P12 Pt Se24 -","- C81 H186 Ag20 O27 P12 Pt Se24 -","- C162 H372 Ag40 O54 P24 Pt2 Se48 -","2","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","All-selenolate-protected eight-electron platinum/silver nanoclusters.","Nanoscale","2021","13","28","12143","12148","10.1039/d1nr02540f","","","0.71073","MoKα","","0.0432","0.0367","","","0.0943","0.0981","","","","","","1.039","","","","has coordinates,has disorder","268831","2021-09-06","11:50:02",""
"1564266","14.4801","0.0007","18.5079","0.0009","20.3673","0.0011","90","","91.94","0.002","90","","5455.2","0.5","100","2","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C69 H56 Cl Cu N2 O2 -","- C69 H56 Cl Cu N2 O2 -","- C276 H224 Cl4 Cu4 N8 O8 -","4","2","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0619","0.0436","","","0.0957","0.1039","","","","","","1.02","","","","has coordinates,has disorder","267840","2021-07-31","01:49:48",""
"1564424","6.1722","0.0007","12.6903","0.0011","10.3679","0.0011","90","","90.645","0.004","90","","812.04","0.14","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C15 H15 Co N3 O5 -","- C15 H15 Co N3 O5 -","- C30 H30 Co2 N6 O10 -","2","1","","Zhu, Liwei; Liu, Ning; Yu, Liangmin; Jiang, Xiaohui; Li, Xia","pH-dependent synthesis of two three-dimensional cobalt-based metal organic frameworks with antibacterial activity and dye adsorption","Inorganica Chimica Acta","2020","510","","119728","","10.1016/j.ica.2020.119728","","","0.71073","MoKα","","0.0781","0.0738","","","0.1852","0.1884","","","","","","1.055","","","","has coordinates","268252","2021-08-26","08:52:36",""
"1565042","7.3725","0.0002","7.2227","0.0002","23.4925","0.0006","90","","97.826","0.002","90","","1239.31","0.06","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1-hydroxybutan-2-aminium tetra(imidazol-1-yl)borate dihydrate","","- C20 H36 B N9 O3 -","- C20 H36 B N9 O3 -","- C40 H72 B2 N18 O6 -","2","1","","Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav","Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry","Chemical Science","2021","","","","","10.1039/D1SC03665C","","","1.54178","CuKα","","0.0811","0.0499","","","0.118","0.1484","","","","","","1.047","","","","has coordinates","270103","2021-10-28","22:24:42",""
"1566997","7.7413","0.0014","10.5757","0.0019","25.507","0.005","90","","98.727","0.005","90","","2064.1","0.7","100","2","100.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H26 N2 O S -","- C23 H26 N2 O S -","- C92 H104 N8 O4 S4 -","4","2","","Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.","Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.","Chemical science","2022","13","22","6567","6572","10.1039/d2sc01563c","","","0.71073","MoKα","","0.0541","0.0529","","","0.1285","0.1298","","","","","","1.072","","","","has coordinates,has disorder","276602","2022-07-06","07:59:05",""
"1568697","8.2666","0.0003","5.6858","0.0002","15.5021","0.0007","90","","91.087","0.004","90","","728.5","0.05","296","","296","","","","","","","","","3","P 1 n 1","P -2yac","7","APHTZ","5-(4-aminophenyl)-1H-tetrazole","","- C7 H7 N5 -","- C7 H7 N5 -","- C28 H28 N20 -","4","2","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0434","0.0328","","","0.0807","0.0851","","","","","","1.038","","","","has coordinates","284983","2023-07-05","11:06:13",""
"1569086","5.7044","0.0004","9.9485","0.0007","11.7687","0.0007","90","","90.321","0.002","90","","667.87","0.08","300","2","300.15","","","","","","","","","4","P 1 n 1","P -2yac","7","<i>N</i>-Methylserotonin hydrogen oxalate","[2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)azanium hydrogen oxalate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","BX4024","Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Methylserotonin hydrogen oxalate","IUCrData","2023","8","5","","","10.1107/S2414314623003784","","","0.71073","MoKα","","0.0303","0.0295","","","0.0764","0.0769","","","","","","1.096","","","","has coordinates","283560","2023-05-06","01:49:26",""
"1569199","10.612","0.0007","13.2639","0.0008","13.3533","0.0008","90","","104.195","0.002","90","","1822.2","0.2","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H19 Br O3 -","- C22 H19 Br O3 -","- C88 H76 Br4 O12 -","4","2","","Guin, Avishek; Bhattacharjee, Subrata; Harariya, Mahesh Singh; Biju, Akkattu T.","Lewis acid-catalyzed diastereoselective carbofunctionalization of bicyclobutanes employing naphthols.","Chemical science","2023","14","24","6585","6591","10.1039/d3sc01373a","","","0.71073","MoKα","","0.041","0.0318","","","0.0663","0.0688","","","","","","1.019","","","","has coordinates","284887","2023-07-05","09:38:08",""
"1569316","9.8444","0.0006","7.4353","0.0004","14.6876","0.0008","90","","106.385","0.006","90","","1031.41","0.11","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H17 Cl2 N4 Sb -","- C20 H17 Cl2 N4 Sb -","- C40 H34 Cl4 N8 Sb2 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0483","0.0376","","","0.0685","0.0773","","","","","","1.065","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1570317","13.481","0.003","9.414","0.002","21.087","0.004","90","","96.178","0.007","90","","2660.6","1","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C53 H77 F3 Ge O7 P2 S -","- C53 H77 F3 Ge O7 P2 S -","- C106 H154 F6 Ge2 O14 P4 S2 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1244","0.0561","","","0.1493","0.1805","","","","","","1.052","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1571316","20.2715","0.0006","42.387","0.003","25.285","0.0007","90","","91.715","0.002","90","","21716.4","1.8","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C182 H230 N12 O31 -","- C122 H110 N12 O10 -","- C488 H440 N48 O40 -","4","2","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","K-L~3~","0.1101","0.0898","","","0.2452","0.2739","","","","","","1.07","","","","has coordinates","291556","2024-05-05","01:31:22",""
"2000114","15.123","0.001","12.305","0.001","19.264","0.002","90","","98.62","0.008","90","","3544.32","","","","","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C16 H90 Cd2 Mo12 N4 O72 P8 -","- C8 Cd7 Mo12 N2 O79 P8 -","- C16 Cd14 Mo24 N4 O158 P16 -","2","1","","Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.","Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters","Journal of Solid State Chemistry","1999","145","1","291","301","10.1006/jssc.1999.8268","","","","","","","0.036","","","0.036","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000377","8.0903","0.0004","24.865","0.001","13.442","0.001","90","","96.79","0.01","90","","2685.1","0.3","","","","","","","","","","","","4","P 1 n 1","P -2yac","","","","","- C27 H33 O9 P -","- C27 H33 O9 P -","- C108 H132 O36 P4 -","4","2","CR0412","Nemeth, G.; Pinkerton, A. A.; Stowe, J. A.; Ogle, C. A.","Structure of tris(2,4,6-trimethoxyphenyl)phosphine. Resolution of space-group ambiguity by solid-state NMR","Acta Crystallographica Section C","1992","48","12","2200","2203","10.1107/S0108270192004402","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000429","24.6077","0.0018","9.0071","0.0003","10.069","0.0004","90","","100.824","0.005","90","","2192","0.2","","","","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C24 H21 B F4 N P -","- C24 H21 B F4 N P -","- C96 H84 B4 F16 N4 P4 -","4","2","AL0527","Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A.","Effect of the protonation and of the <i>ortho</i> substitution on the structure of aryliminophosphoranes","Acta Crystallographica Section C","1992","48","11","1940","1945","10.1107/S0108270192001811","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","288374","2023-12-18","07:44:25",""
"2000799","8.767","0.001","7.117","0.002","7.26","0.002","90","","110.23","0.02","90","","425.04","0.18","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","(±)-cis-6-Acetylamino-5-hydroxy-1,3-dioxepane","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","AB1006","Vinković, M.; Dumić, M.; Kamenar, B.","(±)-<i>cis</i>-6-Acetylamino-5-hydroxy-1,3-dioxepane","Acta Crystallographica Section C","1992","48","7","1352","1354","10.1107/S0108270192003755","","","0.7101","MoKα","","0.036","0.032","","0.045","0.041","","","","0.7691","0.7693","0.7693","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003270","16.092","0.002","7.906","0.001","11.889","0.001","90","","115.2","0.01","90","","1368.6","0.3","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1-methoxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","2","KA1078","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","Hindered Cavity-Shaped <i>N</i>-Oxides","Acta Crystallographica Section C","1995","51","3","458","461","10.1107/S0108270194003665","","","1.54178","CuKα","","0.0576","0.0553","","0.145","0.1412","","","","1.072","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005065","7.2309","0.0009","29.517","0.004","20.717","0.003","90","","101.98","0.01","90","","4325.4","1","130","2","130","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(4) bis-(p-nitrobenzoate) ester of cis-1,1-dimethylsilacyclohex-3,4-diylbis- p-Nitrobenzoate","","- C21 H22 N2 O8 Si -","- C21 H22 N2 O8 Si -","- C168 H176 N16 O64 Si8 -","8","4","TA1071","White, J. M.; Tham, W.-Y.; Green, A. J.","Bis(<i>p</i>-nitrobenzoate) Ester of <i>cis</i>-1,1-Dimethylsilacyclohexane-3,4-diol","Acta Crystallographica Section C","1996","52","6","1493","1496","10.1107/S0108270195016441","","","1.5418","CuKαradiation(Nifiltered)","","0.0395","0.0358","","0.0956","0.0913","","","","1.007","0.992","0.992","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006502","14.4318","0.0014","10.2646","0.001","17.997","0.002","90","","103.689","0.001","90","","2590.3","0.5","123","2","123","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(±)-tert-Butyl 3-Hydroxy-4-methyl-2-[(toluolsulfonyl)amino]butanoate","","- C23 H31 Cl2 N O5 S -","- C23 H31 Cl2 N O5 S -","- C92 H124 Cl8 N4 O20 S4 -","4","2","JZ1189","Görbitz, Carl Henrik; Kazmaier, Uli; Grandel, Roland","(±)-<i>tert</i>-Butyl 3-Hydroxy-4-phenyl-2-(<i>p</i>-toluenesulfonylamino)pentanoate‒Dichloromethane (1/1): a Pseudo Centre of Symmetry in an Enantiomeric Pair","Acta Crystallographica Section C","1997","53","9","1302","1305","10.1107/S0108270197006033","","","0.71073","MoKα","","0.0466","0.0412","","0.0982","0.0937","","","","1.086","1.08","1.08","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006648","3.9241","0.0003","13.0404","0.0008","12.4181","0.0005","90","","92.21","0.01","90","","634.98","0.07","295","","295","","","","","","","","","5","P 1 n 1","","","","","","- C13 H12 Cl N O3 -","- C13 H12 Cl N O3 -","- C26 H24 Cl2 N2 O6 -","2","1","BS1020","Moreno-Fuquen, Rodolfo; Grajales-Tamayo, Mario; Gambardella, Maria Teresa do Prado","The 1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 3-Chlorobenzoic Acid","Acta Crystallographica Section C","1997","53","11","1635","1637","10.1107/S0108270197007130","","","0.71073","MoKα","","0.0346","0.0293","","0.1175","0.1057","","","","1.067","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008800","9.0064","0.0014","10.8717","0.0011","17.585","0.002","90","","103.717","0.011","90","","1672.7","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H34 O2 P2 Pt -","- C42 H34 O2 P2 Pt -","- C84 H68 O4 P4 Pt2 -","2","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.0391","0.0348","","0.0806","0.0797","","","","0.97","1.023","1.023","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008801","9.0177","0.0007","10.9977","0.0008","17.9351","0.0012","90","","102.093","0.002","90","","1739.2","0.2","160","2","160","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H34 P2 Pt S2 -","- C42 H34 P2 Pt S2 -","- C84 H68 P4 Pt2 S4 -","2","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.0192","0.0184","","0.0465","0.0456","","","","1.124","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008958","7.1535","0.0009","5.5819","0.001","5.3279","0.0004","90","","89.934","0.008","90","","212.74","0.05","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","Disodium zinc germanate","Disodium zinc germanium tetraoxide","","- Ge Na2 O4 Zn -","- Ge Na2 O4 Zn -","- Ge2 Na4 O8 Zn2 -","2","1","QA0155","Healey, Adam M.; Webster, Michael; Weller, Mark T.","Disodium zinc germanium tetraoxide","Acta Crystallographica Section C","1999","55","9","IUC9900099","","10.1107/S0108270199098935","","","0.71073","MoKα","","0.023","0.022","","","","0.054","","","","","","1.259","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009176","7.9452","0.0003","3.9485","0.0002","8.7627","0.0004","90","","102.119","0.003","90","","268.77","0.02","100","0.1","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","2-Hydroxy-N-methylcyanoacetamide","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C8 H12 N4 O4 -","2","1","QB0114","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","2-Hydroxy-<i>N</i>-methylcyanoacetamide","Acta Crystallographica Section C","1999","55","11","IUC9900140","","10.1107/S0108270199098467","","","0.71073","MoKα","","0.026","0.024","","","","0.061","","","","","","1.066","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2010018","4.573","0.003","8.937","0.002","4.57","0.002","90","","90.43","0.04","90","","186.77","0.15","295","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Ba Co S2 -","- Ba Co S2 -","- Ba2 Co2 S4 -","2","1","BR1068","Norman C. Baenziger; Larry Grout; Lee S. Martinson; John W. Schweitzer","BaCoS~2~","Acta Crystallographica Section C","1994","50","9","1375","1377","10.1107/S0108270194003707","","","0.71073","MoKα","","","0.021","","","0.025","","","","","1.062","1.062","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010330","9.119","0.002","11.039","0.002","17.971","0.001","90","","101.07","0.01","90","","1775.4","0.5","23","","23","","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-bis(triphenylphosphine)(maleonitriledithiolato)palladium","","- C40 H30 N2 P2 Pd S2 -","- C40 H30 N2 P2 Pd S2 -","- C80 H60 N4 P4 Pd2 S4 -","2","1","NA1118","Ebihara, Masahiro; Tsuchiya, Masaki; Kawamura, Takashi","A distorted planar palladium complex with maleonitriledithiolato and triphenylphosphine ligands, [Pd(PPh~3~)~2~(mnt)]","Acta Crystallographica Section C","1994","50","12","1880","1882","10.1107/S0108270194008516","","","0.7107","MolybdenumKα","","","0.046","","","0.057","","","","","2.44","2.44","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010735","7.475","0.0015","8.03","0.0016","14.977","0.003","90","","91.98","0.03","90","","898.4","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-dibromo-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)","","- C12 H24 Br2 N2 O2 Sn -","- C12 H24 Br2 N2 O2 Sn -","- C24 H48 Br4 N4 O4 Sn2 -","2","1","NA1448","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","Complexes of dimethyltin dihalides with <i>N</i>-methylpyrrolidinone, C~12~H~24~N~2~O~2~<i>X</i>~2~Sn (<i>X</i> = Cl, Br or I)","Acta Crystallographica Section C","2000","56","3","324","326","10.1107/S0108270199016388","","","0.71073","MoKα","","0.04","0.038","","","","0.104","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010736","7.396","0.001","8.327","0.002","15.406","0.003","90","","90.31","0.03","90","","948.8","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-diiodo-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)","","- C12 H24 I2 N2 O2 Sn -","- C12 H24 I2 N2 O2 Sn -","- C24 H48 I4 N4 O4 Sn2 -","2","1","NA1448","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","Complexes of dimethyltin dihalides with <i>N</i>-methylpyrrolidinone, C~12~H~24~N~2~O~2~<i>X</i>~2~Sn (<i>X</i> = Cl, Br or I)","Acta Crystallographica Section C","2000","56","3","324","326","10.1107/S0108270199016388","","","0.71069","MoKα","","0.03","0.024","","","","0.043","","","","","","0.946","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012660","10.922","0.003","10.226","0.002","11.725","0.002","90","","104.64","0.02","90","","1267","0.5","296.2","","296.2","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H15 Ir3 Mo O11 -","- C21 H15 Ir3 Mo O11 -","- C42 H30 Ir6 Mo2 O22 -","2","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.0209","0.0193","","0.0226","","0.0224","","","1.387","","","1.386","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012692","12.773","0.003","7.529","0.002","7.108","0.002","90","","104.37","0.02","90","","662.2","0.3","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Rubidium diniobium tris(disulfide) tetrathiophosphate","","- Nb2 P Rb S10 -","- Nb2 P Rb S10 -","- Nb4 P2 Rb2 S20 -","2","1","BR1362","Changkeun Kim; Hoseop Yun","A new quaternary thiophosphate, RbNb~2~(S~2~)~3~(PS~4~)","Acta Crystallographica Section C","2002","58","5","i53","i54","10.1107/S0108270102004316","","","0.71073","MoKα","","0.039","0.039","","","0.114","0.114","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012957","7.707","0.0002","16.1001","0.0003","14.3067","0.0004","90","","95.077","0.001","90","","1768.26","0.08","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N,N'-Dithiobisphthalimide‒nitrobenzene (2/1)","","- C38 H21 N5 O10 S4 -","- C38 H21 N5 O10 S4 -","- C76 H42 N10 O20 S8 -","2","1","SK1574","Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Low, John N.; Quesada, Antonio","<i>N</i>,<i>N</i>'-Dithiobisphthalimide‒nitrobenzene (2/1): a <i>Pn</i> solvate with localized solvent molecules ordered head-to-tail in channels","Acta Crystallographica Section C","2002","58","9","o551","o554","10.1107/S0108270102012830","","","0.71073","MoKα","","0.0737","0.0428","","","0.0857","0.0963","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013367","8.268","0.003","11.757","0.003","11.0253","0.0019","90","","93.721","0.018","90","","1069.5","0.5","228","2","228","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C19 H30 Co N5 O4 -","- C19 H30 Co N5 O4 -","- C38 H60 Co2 N10 O8 -","2","1","SK1631","Pickin, Kerry A.; Day, Cynthia S.; Wright, Marcus W.; Welker, Mark E.","<i>trans</i>-Bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(1-hexenyl)(pyridine-κ<i>N</i>)cobalt(III): a cobaloxime-substituted terminal alkene that rapidly isomerizes to a cobaloxime-substituted internal alkenyl complex","Acta Crystallographica Section C","2003","59","5","m193","m195","10.1107/S0108270103006899","","","0.71073","MoKα","","0.0502","0.042","","","0.1007","0.1058","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013647","7.0429","0.0008","4.8135","0.0006","10.9047","0.0012","90","","96.885","0.003","90","","367.01","0.07","133","2","133","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Ammonium [(carboxymethyl)thio]acetate","","- C4 H9 N O4 S -","- C4 H9 N O4 S -","- C8 H18 N2 O8 S2 -","2","1","JZ1581","Maurin, Jan K.; Pawłowski, Michał; Czarnocki, Zbigniew","Pseudosymmetry in ammonium [(carboxymethyl)sulfanyl]acetate","Acta Crystallographica Section C","2003","59","11","o656","o658","10.1107/S010827010302287X","","","0.71073","MoKα","","0.026","0.026","","","0.073","0.074","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013802","6.665","0.0005","3.6962","0.0003","23.639","0.002","90","","95.208","0.003","90","","579.95","0.08","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(3-Nitrophenyl)phthalimide","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C28 H16 N4 O8 -","2","1","GG1199","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A three-dimensional hydrogen-bonded framework in <i>N</i>-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in <i>N</i>-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions","Acta Crystallographica Section C","2004","60","1","o24","o27","10.1107/S0108270103026052","","","0.71073","MoKα","","0.0878","0.0479","","","0.0986","0.1162","","","","","","0.875","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014315","4.9402","0.0002","5.6847","0.0003","25.9862","0.0013","90","","94.495","0.002","90","","727.54","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","BM3004","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(1<i>H</i>-Indol-3-ylcarbonyl)-<i>N</i>-(4-methoxybenzyl)formamide","Acta Crystallographica Section C","2006","62","3","o153","o154","10.1107/S0108270106003441","","","0.71073","MoKα","","0.0602","0.0392","","","0.0827","0.0909","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014475","4.0607","0.0013","13.144","0.003","8.696","0.002","90","","101.99","0.02","90","","454","0.2","298","","298","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C16 H18 N2 O12 -","2","1","","Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki","2-Pyridone‒tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o717","o722","10.1107/s0108270104019201","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014732","4.1085","0.0003","8.4497","0.0005","17.1272","0.0011","90","","94.721","0.002","90","","592.56","0.07","291","2","291","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1,3-dimethyl-5-(1-propylaminoethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C22 H34 N6 O6 -","2","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0596","0.0459","","","0.116","0.1261","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015603","9.2505","0.0004","9.66","0.0005","21.1032","0.001","90","","101.422","0.003","90","","1848.43","0.15","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II)","","- C47 H28 N8 O Zn -","- C47 H28 N8 O Zn -","- C94 H56 N16 O2 Zn2 -","2","1","GD3047","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Supramolecular assembly of (methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II) by intermolecular hydrogen bonding and weak coordination","Acta Crystallographica Section C","2006","62","10","m477","m479","10.1107/S0108270106034986","","","0.71073","MoKα","","0.0779","0.0632","","","0.132","0.1389","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015735","11.5432","0.0006","9.5417","0.0005","13.1351","0.0007","90","","101.904","0.002","90","","1415.61","0.13","150","2","150","2","","","","","","","","8","P 1 n 1","P -2yac","7","","chloro[(diphenylphosphinoamino)diphenylphosphine oxide]methylpalladium(II) dimethyl sulfoxide solvate","","- C27 H30 Cl N O2 P2 Pd S -","- C27 H30 Cl N O2 P2 Pd S -","- C54 H60 Cl2 N2 O4 P4 Pd2 S2 -","2","1","GD3061","Elsegood, Mark R. J.; Smith, Martin B.; Dale, Sophie H.","Two square-planar palladium(II) complexes with <i>P</i>,<i>O</i>-bidentate hybrid ligands","Acta Crystallographica Section C","2007","63","1","m7","m9","10.1107/S0108270106048530","","","0.71073","MoKα","","0.024","0.0225","","","0.0534","0.0542","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017437","5.3881","0.0002","8.3227","0.0004","18.6514","0.0011","90","","90.3794","0.0018","90","","836.38","0.07","110","2","110","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Phenazinium 3-carboxylato-1-benzofuran-2-carboxylic acid","","- C22 H14 N2 O5 -","- C22 H14 N2 O5 -","- C44 H28 N4 O10 -","2","1","GD3317","Titi, Hatem M.; Goldberg, Israel","Hydrogen bonding and π‒π interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine","Acta Crystallographica Section C","2009","65","12","o639","o644","10.1107/S0108270109047519","","","0.71073","MoKα","","0.081","0.0448","","","0.0918","0.1051","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018157","11.58","0.0009","8.4221","0.0006","11.6393","0.0009","90","","113.354","0.001","90","","1042.16","0.14","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^]cadmium(II)]","","- C22 H20 Cd N4 O6 -","- C22 H20 Cd N4 O6 -","- C44 H40 Cd2 N8 O12 -","2","1","SQ3290","Zhou, Shi; Li, Chuan-Bi; Wang, Qing-Wei; Ng, Seik Weng","Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)cadmium(II)], a twofold interpenetrated CdSO~4~-like metal‒organic polymer","Acta Crystallographica Section C","2011","67","7","m224","m226","10.1107/S010827011102083X","","","0.71073","MoKα","","0.0336","0.0279","","","0.0516","0.0535","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018537","9.7426","0.0008","6.1015","0.0005","21.7139","0.0018","90","","96.175","0.001","90","","1283.28","0.18","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(<i>E</i>)-4-chlorobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C52 H40 Cl4 N12 O8 -","4","2","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0591","0.046","","","0.1159","0.1256","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2019011","10.5661","0.0007","11.7334","0.001","18.1342","0.0012","90","","93.153","0.005","90","","2244.8","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","Tetrakis(tetrahydrofuran)lithium tetrakis[(trimethylsilyl)methyl]borate","","- C32 H76 B Li O4 Si4 -","- C32 H76 B Li O4 Si4 -","- C64 H152 B2 Li2 O8 Si8 -","2","1","WQ3030","Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram","An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~]","Acta Crystallographica Section C","2013","69","6","569","572","10.1107/S0108270113009311","","","0.71073","MoKα","","0.1299","0.0706","","","0.1163","0.1354","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019678","13.8034","0.0016","14.2545","0.0017","14.9313","0.0017","90","","108.061","0.0013","90","","2793.1","0.6","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II) <i>p</i>-xylene tetrasolvate","","- C62 H42 Cu F20 O4 -","- C62 H42 Cu F20 O4 -","- C124 H84 Cu2 F40 O8 -","2","1","SK3552","Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka","Three <i>p</i>-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section C","2014","70","10","960","964","10.1107/S2053229614020294","","","0.71073","MoKα","","0.0552","0.0395","","","0.0857","0.0927","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019731","12.726","0.0004","7.9721","0.0002","15.0098","0.0004","90","","110.352","0.003","90","","1427.73","0.07","120","0.14","120","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","4-Chloro-3-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","4","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","1.5418","CuKα","","0.0258","0.0241","","","0.0647","0.0657","","","","","","1.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019733","12.5188","0.0009","8.2955","0.0005","15.9287","0.001","90","","111.141","0.006","90","","1542.86","0.19","120","0.14","120","0.14","","","","","","","","5","P 1 n 1","P -2yac","7","","4-Iodo-3-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","4","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","0.71069","MoKα","","0.125","0.0477","","","0.0932","0.1181","","","","","","1.32","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020157","5.77","","4.619","","12.819","","90","","90.12","","90","","341.646","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","(N H4) (Be F3)","","- Be F3 H4 N -","- Be F3 H4 N -","- Be4 F12 H16 N4 -","4","2","","Waskowska, A.","Ammonium trifluoroberyllate(II), (N H4) (Be F3), at room temperature","Acta Crystallographica C (39,1983-)","1983","39","","1167","1169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2021725","10.4597","0.0009","12.798","0.0006","15.0545","0.0009","90","","98.709","0.005","90","","1992","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato){μ~2~-1,3-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}dicobalt(II)]","","- C44 H34 Co2 N8 O8 -","- C44 H34 Co2 N8 O8 -","- C88 H68 Co4 N16 O16 -","2","1","YF3180","Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun","Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009136","","","0.71073","MoKα","","0.1324","0.0681","","","0.1527","0.1831","","","","","","1.003","","","","has coordinates,has Fobs","216920","2020-10-21","18:00:00",""
"2021746","10.673","0.0005","10.0539","0.0004","15.0271","0.0007","90","","96.095","0.001","90","","1603.37","0.12","295","2","295","2","","","","","","","","5","P 1 n 1","P -2yac","7","(<i>E</i>)-4-({3,5-Di-<i>tert</i>-butyl-2-[(diphenylboranyl)oxy]\ benzylidene}amino)-<i>N</i>-phenylaniline","{2-[(4-Anilinophenyl)iminomethyl-κ<i>N</i>]-4,6-di-<i>tert</i>-\ butylphenolato-κ<i>O</i>}diphenylboron","","- C39 H41 B N2 O -","- C39 H41 B N2 O -","- C78 H82 B2 N4 O2 -","2","1","JX3038","Wang, Shengpei; Yu, Shasha; Feng, Jianxiang; Liu, Shenggao","A highly efficient antioxidant based on boron and a Schiff base bridged phenolic diphenylamine: synthesis, crystal structure and thermal and antioxidant properties","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011331","","","0.71073","MoKα","","0.0517","0.043","","","0.1021","0.1095","","","","","","1.031","","","","has coordinates,has Fobs","217574","2020-10-21","18:00:00",""
"2021804","3.7788","0.0009","9.9655","0.0017","16.899","0.003","90","","93.466","0.019","90","","635.2","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-one","","- C16 H9 N3 O3 -","- C16 H9 N3 O3 -","- C32 H18 N6 O6 -","2","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.1015","0.0785","","","0.1858","0.2095","","","","","","1.004","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2022743","6.2398","0.0002","14.7216","0.0004","13.5383","0.0004","90","","94.229","0.001","90","","1240.24","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","Amitriptynolium 4-methoxybenzoate monohydrate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium 4-methoxybenzoate monohydrate","","- C28 H35 N O5 -","- C28 H35 N O5 -","- C56 H70 N2 O10 -","2","1","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","1.54178","CuKα","","0.0249","0.0241","","","0.0632","0.0637","","","","","","1.023","","","","has coordinates,has Fobs","284381","2023-06-06","05:33:36",""
"2022831","7.7968","0.0003","12.0926","0.0004","14.8738","0.0005","90","","100.601","0.003","90","","1378.42","0.08","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","8-{(<i>E</i>)-2-[(4-Chlorophenyl)methylidene]hydrazin-1-yl}quinoline","(<i>E</i>)-2-(4-Chlorobenzylidene)-1-(quinolin-8-yl)hydrazine","","- C16 H12 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","2","JQ2029","Nasr, Tamer; Kariuki, Benson M.; Elansary, Mai M.; Elhaggar, Radwan; Zaghary, Wafaa","Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitrobenzylidene)acetohydrazide and (E)-2-(4-chlorobenzylidene)-1-(quinolin-8-yl)hydrazine","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","762","766","10.1107/S2056989023006412","","","1.54184","CuKα","","0.0344","0.0314","","","0.0809","0.0847","","","","","","1.039","","","","has coordinates,has Fobs","285386","2023-07-29","02:03:56",""
"2101908","6.97","0.001","14.233","0.003","7.633","0.002","90","","107.91","0.03","90","","720.5","0.3","150","2","150","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C34 H32 N8 -","2","1","AN0521","Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M.","Structural Studies of a Series of Organic Non-Linear Optical Materials","Acta Crystallographica Section B","1997","53","5","812","821","10.1107/S010876819601525X","","","0.71073","MoKα","","0.0472","0.0352","","0.0991","0.0788","","","","1.037","1.034","1.034","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102931","12.419","0.005","4.0397","0.0017","8.824","0.004","90","","109.181","0.003","90","","418.1","0.3","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C4 Br4 S -","- C4 Br4 S -","- C8 Br8 S2 -","2","1","AV5088","Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René","Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing","Acta Crystallographica Section B","2007","63","5","783","790","10.1107/S010876810703652X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102934","12.376","0.01","4.004","0.003","8.816","0.007","90","","109.452","0.003","90","","411.9","0.6","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C4 Br4 S -","- C4 Br4 S -","- C8 Br8 S2 -","2","1","AV5088","Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René","Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing","Acta Crystallographica Section B","2007","63","5","783","790","10.1107/S010876810703652X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103114","11.657","0.002","8.5838","0.0017","13.783","0.003","90","","96.41","0.03","90","","1370.5","0.5","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H24 Cl3 N4 P3 -","- C26 H24 Cl3 N4 P3 -","- C52 H48 Cl6 N8 P6 -","2","1","BM0049","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin","Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene","Acta Crystallographica, Section B: Structural Science","2002","58","3","545","552","10.1107/S0108768102003816","","","0.71073","MoKα","","0.0878","0.0461","","","0.0706","0.081","","","","","","0.978","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103292","11.256","0.002","9.985","0.002","18.126","0.004","90","","105.05","0.03","90","","1967.3","0.7","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","trans-diiodobis(tribenzylphosphine)platinum(II)","","","- C42 H42 I2 P2 Pt -","- C42 H42 I2 P2 Pt -","- C84 H84 I4 P4 Pt2 -","2","1","NS0007","Johansson, Maria H.; Otto, Stefanus; Oskarsson, Åke","Structures of <i>trans</i>-[PtCl~2~(PBz~3~)~2~], <i>trans</i>-[PtI~2~(PBz~3~)~2~], <i>trans</i>-[Pt(NCS)~2~(PBz~3~)~2~]·0.5C~6~H~6~ and <i>trans</i>-[PdI~2~(PBz~3~)~2~]","Acta Crystallographica Section B","2002","58","2","244","250","10.1107/S0108768101021395","","","0.71073","MoKα","","0.07","0.0356","","","0.0632","0.0706","","","","","","0.9","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103294","11.274","0.002","9.994","0.002","18.073","0.004","90","","104.88","0.03","90","","1968","0.7","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","trans-diiodobis(tribenzylphosphine)palladium(II)","","","- C42 H42 I2 P2 Pd -","- C42 H42 I2 P2 Pd -","- C84 H84 I4 P4 Pd2 -","2","1","NS0007","Johansson, Maria H.; Otto, Stefanus; Oskarsson, Åke","Structures of <i>trans</i>-[PtCl~2~(PBz~3~)~2~], <i>trans</i>-[PtI~2~(PBz~3~)~2~], <i>trans</i>-[Pt(NCS)~2~(PBz~3~)~2~]·0.5C~6~H~6~ and <i>trans</i>-[PdI~2~(PBz~3~)~2~]","Acta Crystallographica Section B","2002","58","2","244","250","10.1107/S0108768101021395","","","0.71073","MoKα","","0.1234","0.0511","","","0.1061","0.1249","","","","","","0.852","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106243","7.015","","5.484","","5.26","","90","","89.97","","90","","202.354","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Mg Na2 (Si O4)","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg2 Na4 O8 Si2 -","2","1","","Baur, W.H.; Shannon, R.D.; Ohta, T.","Structure of magnesium disodium silicate Na2 Mg Si O4 and ionic conductivity in tetrahedral structures","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1483","1491","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106906","7.115","","11.301","","7.183","","90","","99.92","","90","","568.926","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","N H4 (B5 O6 (O H)4) (H2 O)2","","- B5 H12 N O12 -","- B5 H12 N O12 -","- B10 H24 N2 O24 -","2","1","","Domenech, M. V.; Solans, X.; Solans, J.","The alpha Phase of Ammonium Pentaborate Tetrahydrate","Acta Crystallographica B (24,1968-38,1982)","1981","37","","643","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2107041","6.2473","","7.903","","5.4471","","90","","104.995","","90","","259.779","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Li D3 (Se O3)2","","- D3 Li O6 Se2 -","- D3 Li O6 Se2 -","- D6 Li2 O12 Se4 -","2","1","","Liminga, R.; Tellgren, R.","A Neutron Diffraction Study of the Ferroelectric State of Deuterated Lithium Trihydrogenselenite, Li D3 (Se O3)2","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1551","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107072","16.453","","5.405","","13.086","","90","","98.99","","90","","1149.42","","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","Li (P O3)","","- Li O3 P -","- Li O3 P -","- Li20 O60 P20 -","20","10","","Guitel, J.C.; Tordjman, I.","Structure cristalline du polyphosphate de lithium, Li P O3","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2960","2966","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108013","14.2651","0.0005","4.5853","0.0002","14.2789","0.0005","90","","117.999","0.002","90","","824.66","0.06","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","rubidium hydrogen sulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","4","FX5004","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.85","neutron","","0.0626","0.0482","","0.1313","0.1121","0.1121","","","","","","0.9617","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108018","14.166","0.005","4.5982","0.0009","14.326","0.004","90","","117.68","0.03","90","","826.4","0.5","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","rubidium hydrogen sulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","4","","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.71073","MoKα","","0.0484","0.0437","","0.1823","0.1162","0.1162","","","","","","0.8328","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108541","6.7036","0.0004","7.426","0.0004","10.1296","0.0007","90","","107.469","0.006","90","","481","0.05","100","1","100","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- F7 H12 N5 O Ru Si -","- F7 H12 N5 O Ru Si -","- F14 H24 N10 O2 Ru2 Si2 -","2","1","","Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian; Wenger, Emmanuel; Imlau, Mirco; Woike, Theo; Kostin, Gennadiy; Schaniel, Dominik","Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes","Acta Crystallographica Section B","2019","75","6","","","10.1107/S205252061901357X","","x-ray","0.71073","MoKα","","0.0237","0.022","","","0.0472","0.0488","","","","","","1.0232","","","","has coordinates,has Fobs","231195","2020-10-21","18:00:00",""
"2108637","7.6714","0.0011","7.1287","0.0009","16.428","0.002","90","","100.298","0.006","90","","883.9","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C44 H34 F8 N2 O2 -","2","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0444","0.0386","","","","0.0949","","","","","","1.098","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2200154","12.809","0.003","8.608","0.002","19.482","0.004","90","","95.81","0.02","90","","2137","0.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","bis-clemizolchlorocopper(II)chloride","Dichloro[1-(p-chlorophenylmethyl)-2-(1-pyrrolidinylmethyl)benzimidazole- N,N'']copper(II) Ethanol Solvate","","- C40 H46 Cl4 Cu N6 O -","- C40 H46 Cl4 Cu N6 O -","- C80 H92 Cl8 Cu2 N12 O2 -","2","1","CV6000","Braitenbach, Kristin; Parvez, Masood","Chlorobis(clemizole)copper(II) chloride ethanol solvate","Acta Crystallographica Section E","2001","57","2","m67","m69","10.1107/S1600536801001039","","","1.54178","CuKα","","0.053","0.051","","","","0.142","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200462","15.3382","0.0014","8.6418","0.0009","15.9748","0.0011","90","","105.034","0.01","90","","2045","0.3","291","2","291","1","","","","","","","","5","P 1 n 1","P -2yac","7","","benzene-1,3,5-triyltrismethylenetris(diphenylphosphine oxide) acetonitrile solvate monohydrate","","- C47 H44 N O4 P3 -","- C47 H44 N O4 P3 -","- C94 H88 N2 O8 P6 -","2","1","CV6030","Kruszynski, Rafal; Wieczorek, Wanda","Polymorphic form of 1,3,5-tris[(diphenylphosphine oxide)methyl]benzene acetonitrile solvate monohydrate","Acta Crystallographica Section E","2001","57","7","o624","o626","10.1107/S1600536801010157","","","0.71073","MoKα","","0.0794","0.0785","","","","0.164","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201563","3.9015","0.0008","12.658","0.003","9.6687","0.0019","90","","101.186","0.005","90","","468.42","0.17","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","2,4,5-trichloroacetanilide","N-[2,4,5-trichlorophenyl]acetamide","","- C8 H6 Cl3 N O -","- C8 H6 Cl3 N O -","- C16 H12 Cl6 N2 O2 -","2","1","OB6158","Mahalakshmi, L.; Upadhyaya, V.; Guru Row, T. N.","2,4,5-Trichloroacetanilide","Acta Crystallographica Section E","2002","58","8","o946","o947","10.1107/S1600536802013417","","","0.71073","MoKα","","0.0238","0.0232","","","0.061","0.0616","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201569","8.2","0.004","8.538","0.004","8.295","0.004","90","","113.626","0.006","90","","532.1","0.4","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","2,4,6-trimethylacetanilide","N-[2,4,6-trimethylphenyl]acetamide","","- C11 H15 N O -","- C11 H15 N O -","- C22 H30 N2 O2 -","2","1","OB6164","Upadhyaya, V.; Mahalakshmi, L.; Guru Row, T. N.","2,4,6-Trimethylacetanilide","Acta Crystallographica Section E","2002","58","9","o997","o998","10.1107/S1600536802014228","","","0.71073","MoKα","","0.0505","0.0447","","","0.1115","0.1158","","","","","","1.132","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201593","9.905","0.003","19.091","0.005","20.384","0.005","90","","99.18","0.005","90","","3805.2","1.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","2-(p-Methoxyphenyl)-3-[o-(methylaminothiocarbonyl)phenyl]-1,3,2- oxazaphospholidine 2-sulfide","","- C17 H19 N2 O2 P S2 -","- C17 H19 N2 O2 P S2 -","- C136 H152 N16 O16 P8 S16 -","8","4","OB6189","Sheng-Lou Deng; Dong-Zhi Liu; Wei Li","2-(<i>p</i>-Methoxyphenyl)-3-[<i>o</i>-(methylaminothiocarbonyl)phenyl]-1,3,2-oxazaphospholidine 2-sulfide","Acta Crystallographica Section E","2002","58","12","o1430","o1431","10.1107/S1600536802021219","","","0.71073","MoKα","","0.0925","0.0448","","","0.0861","0.1029","","","","","","0.967","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203181","6.472","0.002","13.156","0.004","8.598","0.003","90","","97.157","0.005","90","","726.4","0.4","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H19 Cl2 Ir O P2 -","- C7 H19 Cl2 Ir O P2 -","- C14 H38 Cl4 Ir2 O2 P4 -","2","1","DN6112","Jonathan P. H. Charmant; Nicholas C. Norman; A. Guy Orpen; George R. Whittell","Carbonyldichlorohydridobis(trimethylphosphine)iridium(III)","Acta Crystallographica Section E","2004","60","2","m164","m165","10.1107/S1600536804000480","","","0.71073","MoKα","","0.0454","0.0424","","","0.0975","0.0997","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203197","9.209","0.003","10.182","0.003","19.158","0.005","90","","103.507","0.005","90","","1746.7","0.9","293","2","","","","","","","","","","6","P 1 n 1","P -2yac","7","","Poly[[silver(I)-di-μ-1,5-bis(phenylsulfanyl)pentane] tetrafluoroborate]","","- C34 H40 Ag B F4 S4 -","- C34 H40 Ag B F4 S4 -","- C68 H80 Ag2 B2 F8 S8 -","2","1","LH6148","Miao Du; Xiao-Jun Zhao","The two-dimensional coordination polymer poly[[silver(I)-di-μ-1,5-bis(phenylsulfanyl)pentane] tetrafluoroborate]","Acta Crystallographica Section E","2004","60","2","m193","m195","10.1107/S1600536803028605","","","0.71073","MoKα","","0.0369","0.0298","","","0.0611","0.0643","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204166","5.917","0.0002","16.5865","0.0006","9.9576","0.0004","90","","104.128","0.002","90","","947.7","0.06","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C42 H60 N4 O2 -","2","1","DN6152","Parrish, Damon A.; Deschamps, Jeffrey R.; Jiang, Faming; Zaveri, Nurulain T.","A novel receptor ligand: 1-(1-cyclooctylpiperidin-4-yl)indolin-2-one","Acta Crystallographica Section E","2004","60","9","o1571","o1572","10.1107/S1600536804016903","","","1.54178","CuKα","","0.0574","0.0479","","","0.1245","0.1347","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204194","9.3056","0.0019","4.84","0.001","11.843","0.002","90","","100.181","0.003","90","","525","0.18","293","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Dimethyl N,N'-(1,2-phenylene)dicarbamate","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","1","LH6247","Efrén V. García-Báez; Beatriz A. López-Romero; Francisco J. Martínez-Martínez; Herbert Höpfl; Itzia I. Padilla-Martínez","Dimethyl <i>N,N</i>'-(1,2-phenylene)dicarbamate","Acta Crystallographica Section E","2004","60","9","o1488","o1490","10.1107/S1600536804018690","","","0.71073","MoKα","","0.0316","0.0307","","","0.0804","0.0811","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206189","11.892","0.0002","5.1318","0.0001","12.3063","0.0002","90","","98.125","0.001","90","","743.48","0.02","295","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C4 H17 N2 O12 P3 Zn2 -","- C4 H17 N2 O12 P3 Zn2 -","- C8 H34 N4 O24 P6 Zn4 -","2","1","HB6212","Zabukovec Logar, Nataša; Rajić, Nevenka; Stojaković, Djordje; Šajić, Sanja; Golobič, Amalija; Kaučič, Venčeslav","(C~4~H~12~N~2~)[Zn~2~(PO~4~)(HPO~4~)(H~2~PO~4~)], a layered zinc phosphate with intercalated <i>N</i>-methylpropane-1,3-diaminium cations","Acta Crystallographica Section E","2005","61","7","m1354","m1356","10.1107/S1600536805018908","","","0.71073","MoKα","","0.029","0.0281","","","0.0859","0.0865","","","","","","1.187","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206897","7.9651","0.0014","6.4632","0.0012","15.445","0.003","90","","90.136","0.003","90","","795.1","0.3","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(1S*,2S*,4S*)-3,3-Difluoro-2,4-dihydroxy-5,5-dimethylcyclooct-5(Z)-en-1-yl N,N-diethylcarbamate","","- C15 H25 F2 N O4 -","- C15 H25 F2 N O4 -","- C30 H50 F4 N2 O8 -","2","1","CF6442","John Fawcett; Jonathan M Percy; Stéphane Pintat; Clive A Smith; Emi Uneyama","(1<i>S</i>*,2<i>S</i>*,4<i>S</i>*)-3,3-Difluoro-2,4-dihydroxy-5,5-dimethylcyclooct-5(<i>Z</i>)-en-1-yl <i>N</i>,<i>N</i>-diethylcarbamate","Acta Crystallographica Section E","2005","61","10","o3319","o3321","10.1107/S1600536805024839","","","0.71073","MoKα","","0.0841","0.0817","","","0.2291","0.2304","","","","","","1.13","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209750","8.4692","0.0019","10.889","0.003","9.69","0.002","90","","92.514","0.004","90","","892.8","0.4","166","1","166","1","","","","","","","","6","P 1 n 1","P -2yac","7","Dimethoxyphosphinoyl phenyl ketone <i>p</i>-tolylsulfonylhydrazone","","","- C16 H19 N2 O5 P S -","- C16 H19 N2 O5 P S -","- C32 H38 N4 O10 P2 S2 -","2","1","BI2025","Demoin, Dustin Wayne; Pluth, Michael; Soo, Han Sen; Xu, Yue","Dimethoxyphosphinoyl phenyl ketone <i>p</i>-tolylsulfonylhydrazone","Acta Crystallographica Section E","2006","62","8","o3551","o3552","10.1107/S1600536806025451","","","0.71073","MoKα","","0.0515","0.0399","","","0.0901","0.094","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210600","17.955","0.002","3.9563","0.0003","17.973","0.002","90","","99.646","0.009","90","","1258.7","0.2","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(2E)-1-(3-Bromo-2-thienyl)-3-(4-chlorophenyl)prop-2-en-1-one","","- C13 H8 Br Cl O S -","- C13 H8 Br Cl O S -","- C52 H32 Br4 Cl4 O4 S4 -","4","2","FL2053","Yathirajan, H. S.; Ashalatha, B.; Narayana, B.; Bindya, S.; Bolte, Michael","(2<i>E</i>)-1-(3-Bromo-2-thienyl)-3-(4-chlorophenyl)prop-2-en-1-one, a twinned crystal structure","Acta Crystallographica Section E","2006","62","10","o4551","o4553","10.1107/S1600536806037305","","","0.71073","MoKα","","0.0617","0.06","","","0.1584","0.1601","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210904","6.7912","0.0012","3.8852","0.0008","22.113","0.004","90","","95.999","0.009","90","","580.26","0.19","294","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N'-(2-Chlorobenzylidene)pyrazine-2-carbohydrazide","","- C12 H9 Cl N4 O -","- C12 H9 Cl N4 O -","- C24 H18 Cl2 N8 O2 -","2","1","BT2206","Xue-Fang Shi; Cui-Cui Yuan","<i>N</i>'-(2-Chlorobenzylidene)pyrazine-2-carbohydrazide","Acta Crystallographica Section E","2006","62","11","o5232","o5233","10.1107/S1600536806043212","","","0.7107","MoKα","","0.0561","0.0421","","","0.1223","0.1645","","","","","","0.995","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211284","8.35","0.004","4.5282","0.0019","15.37","0.007","90","","103.118","0.006","90","","566","0.4","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,2-Bis(chloromethyl)-4,5-dimethyl-3-nitrobenzene","","- C10 H11 Cl2 N O2 -","- C10 H11 Cl2 N O2 -","- C20 H22 Cl4 N2 O4 -","2","1","BH2063","Chen, Yun-Feng; Cao, Li-Ping; Qin, Jing","1,2-Bis(chloromethyl)-4,5-dimethyl-3-nitrobenzene","Acta Crystallographica Section E","2006","62","12","o5724","o5725","10.1107/S1600536806048902","","","0.71073","MoKα","","0.0891","0.0601","","","0.1366","0.1505","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211881","11.12","0.002","5.3808","0.0011","18.393","0.004","90","","93.47","0.03","90","","1098.5","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","{3-[(E)-(5-Bromo-2-oxidophenyl)methyleneamino]propanoato-k^3^O,N,O'}(1,10- phenanthroline-k^2^N,N')copper(II) dihydrate","","- C22 H22 Br Cu N3 O5 -","- C22 H22 Br Cu N3 O5 -","- C44 H44 Br2 Cu2 N6 O10 -","2","1","LH2236","Liu, Zheng; Zhang, Shu-Hua; Feng, Xiao-Zhen; Li, Guang-Zhao; Lin, Yuan-Bin","{3-[(<i>E</i>)-(5-Bromo-2-oxidophenyl)methylamino]propanoato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate","Acta Crystallographica Section E","2007","63","1","m156","m158","10.1107/S1600536806052500","","","0.71073","MoKα","","0.0837","0.057","","","0.1089","0.1221","","","","","","0.972","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212109","8.1289","0.0012","5.9814","0.0009","14.6","0.002","90","","93.326","0.003","90","","708.69","0.18","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Butyldiphenylphosphine oxide","","- C16 H19 O P -","- C16 H19 O P -","- C32 H38 O2 P2 -","2","1","CI2282","Caddy, Judy; Coyanis, E. Mabel; Lemmerer, Andreas; Khanye, Setshaba D.; Omondi, Bernard","Butyldiphenylphosphine oxide","Acta Crystallographica Section E","2007","63","2","o1032","o1033","10.1107/S160053680700414X","","","0.71073","MoKα","","0.0313","0.0305","","","0.0831","0.0837","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212471","6.0515","0.0006","9.0167","0.0008","4.9402","0.0007","90","","90.737","0.01","90","","269.54","0.05","299","","299","","","","","","","","","6","P 1 n 1","P -2yac","7","","ammonium sodium trioxofluorophosphate monohydrate","","- F H6 N Na O4 P -","- F H6 N Na O4 P -","- F2 H12 N2 Na2 O8 P2 -","2","1","BR2031","Fábry, Jan; Dušek, Michal; Krupková, Radmila","Ammonium sodium fluorotrioxophosphate monohydrate","Acta Crystallographica Section E","2007","63","3","i92","i94","10.1107/S1600536807008859","","","0.71073","MoKα","","0.0235","0.0219","","","0.0506","0.0508","","","","","","1.64","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2213147","7.598","0.002","8.813","0.003","9.169","0.002","90","","91.26","0.02","90","","613.8","0.3","120","","120","","","","","","","","","3","P 1 n 1","P -2yac","7","","1,1',1''-[(5<i>R</i>,6<i>R</i>)-6-Hydroxy-6-methyl-3,4,5,6-tetrahydro- 2<i>H</i>-pyran-3,3,5-triyl]triethanone","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","BQ2009","Burton, Sylvester; Fronczek, Frank R.; Maverick, Andrew W.","1,1',1''-[(5<i>RS</i>,6<i>RS</i>)-6-Hydroxy-6-methyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,3,5-triyl]triethanone","Acta Crystallographica Section E","2007","63","5","o2661","o2662","10.1107/S1600536807018120","","","0.71073","MoKα","","0.058","0.046","","","0.099","0.106","","","","","","1.074","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214016","9.8877","0.0008","7.9766","0.0006","12.588","0.001","90","","95.506","0.001","90","","988.24","0.13","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","Dichloridobis(dimethyl sulfoxide-κO)diphenyltin(IV)","","- C16 H22 Cl2 O2 S2 Sn -","- C16 H22 Cl2 O2 S2 Sn -","- C32 H44 Cl4 O4 S4 Sn2 -","2","1","AT2303","Sadiq-ur-Rehman; Saeed, Sadia; Ali, Saqib; Shahzadi, Saira; Helliwell, Madeleine","Dichloridobis(dimethyl sulfoxide-κ<i>O</i>)diphenyltin(IV)","Acta Crystallographica Section E","2007","63","7","m1788","m1788","10.1107/S1600536807025858","","","0.71073","MoKα","","0.0213","0.0207","","","0.0481","0.0483","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215608","8.9532","0.0017","12.038","0.002","13.645","0.003","90","","99.973","0.014","90","","1448.4","0.5","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(Oxalato-κ^2^<i>O</i>,<i>O</i>')bis(propane-1,3-diamine- κ^2^<i>N</i>,<i>N</i>')chromium(III) chloride monohydrate","","- C8 H22 Cl Cr N4 O5 -","- C8 H22 Cl Cr N4 O5 -","- C32 H88 Cl4 Cr4 N16 O20 -","4","2","NG2312","Zhang, Li-Fang; Kou, Jian-Yi; Kou, Hui-Zhong","(Oxalato-κ^2^<i>O</i>,<i>O</i>')bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III) chloride monohydrate","Acta Crystallographica Section E","2007","63","10","m2457","m2458","10.1107/S1600536807041839","","","0.71073","MoKα","","0.0269","0.0267","","","0.0705","0.0708","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215676","4.2227","0.0004","12.2001","0.0012","15.4865","0.0016","90","","97.506","0.002","90","","790.99","0.14","291","2","291","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1-(4-Aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one‒1-(4- aminophenyl)-3-(3-bromo-4,5-trimethoxyphenyl)prop-2-en-1-one (0.972/0.028)","","- C17.97 H18.91 Br0.03 N O3.97 -","- C17.972 H18.916 Br0.028 N O3.972 -","- C35.944 H37.832 Br0.056 N2 O7.944 -","2","1","TK2192","Harrison, William T. A.; H. J. Ravindra; M. R. Suresh Kumar; S. M. Dharmaprakash","1-(4-Aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one‒1-(4-aminophenyl)-3-(3-bromo-4,5-trimethoxyphenyl)prop-2-en-1-one (0.972/0.028)","Acta Crystallographica Section E","2007","63","10","o3970","o3970","10.1107/S1600536807041840","","","0.71073","MoKα","","0.042","0.036","","","0.094","0.098","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217444","8.1901","0.0002","8.1261","0.0002","10.4463","0.0003","90","","102.007","0.001","90","","680.03","0.03","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","Dichlorido(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(dimethylglyoxime-κ^2^<i>N</i>,<i>N</i>')cobalt(III)","","- C8 H15 Cl2 Co N4 O4 -","- C8 H15 Cl2 Co N4 O4 -","- C16 H30 Cl4 Co2 N8 O8 -","2","1","CI2517","P. Ramesh; A. SubbiahPandi; P. Jothi; C. Revathi; A. Dayalan","Dichlorido(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(dimethylglyoxime-κ^2^<i>N</i>,<i>N</i>')cobalt(III)","Acta Crystallographica Section E","2008","64","2","m300","m301","10.1107/S1600536807068407","","","0.71073","MoKα","","0.0294","0.0245","","","0.0557","0.057","","","","","","0.992","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218690","9.6104","0.0004","3.7942","0.0002","10.7375","0.0004","90","","107.991","0.004","90","","372.39","0.03","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","<i>cis</i>-Aquadichlorido[pyrimidin-2(1H)-one-κ<i>N</i>^3^]copper(II)","","- C4 H6 Cl2 Cu N2 O2 -","- C4 H6 Cl2 Cu N2 O2 -","- C8 H12 Cl4 Cu2 N4 O4 -","2","1","FJ2126","Kurawa, Mukhtar A.; Adams, Christopher J.; Orpen, A. Guy","<i>cis</i>-Aquadichlorido[pyrimidin-2(1<i>H</i>)-one-κ<i>N</i>^3^]copper(II)","Acta Crystallographica Section E","2008","64","7","m969","","10.1107/S1600536808018771","","","0.71073","MoKα","","0.0447","0.0331","","","0.0754","0.0984","","","","","","1.007","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2219461","10.854","0.002","4.7959","0.001","11.842","0.002","90","","111.42","0.03","90","","573.9","0.2","295","2","294","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C24 H28 N4 O4 -","2","1","WN2276","Xu, Guang-Hai; Wang, Wei","Ethyl 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate","Acta Crystallographica Section E","2008","64","9","o1811","","10.1107/S160053680802672X","","","0.71073","MoKα","","0.0534","0.041","","","0.0845","0.0895","","","","","","1.12","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219539","4.891","0.002","12.171","0.005","12.371","0.005","90","","95.724","0.007","90","","732.8","0.5","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","4-Hydroxy-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","CI2678","Lu, Jiu-Fu","4-Hydroxy-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2008","64","10","o2032","","10.1107/S1600536808030894","","","0.71073","MoKα","","0.1248","0.051","","","0.0966","0.119","","","","","","0.917","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219630","5.7469","0.0002","6.2382","0.0002","14.0158","0.0003","90","","94.752","0.002","90","","500.74","0.03","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-Phenylpyridine-2-carbamide","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C24 H20 N4 O2 -","2","1","IM2083","Zhuang, Yu-Guo; Jiang, Hua-Jiang; Hong, Zhi; Qiu, Fang-Li","<i>N</i>-Phenylpyridine-2-carbamide","Acta Crystallographica Section E","2008","64","10","o1904","","10.1107/S1600536808028274","","","0.71073","MoKα","","0.0361","0.03","","","0.0709","0.0749","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2220119","10.294","0.0002","11.8173","0.0002","31.5327","0.0005","90","","93.373","0.001","90","","3829.22","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","<i>N,N'</i>-Bis(4-methoxy-2-hydroxybenzylidene)-2,2-dimethyl- propane-1,3-diamine","5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenol","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C168 H208 N16 O32 -","8","4","CI2715","Yeap, Chin Sing; Kargar, Hadi; Kia, Reza; Fun, Hoong-Kun","5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2008","64","12","o2389","o2390","10.1107/S1600536808037690","","","0.71073","MoKα","","0.0975","0.0632","","","0.1177","0.1356","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220637","6.7884","0.0003","12.0903","0.0005","10.4945","0.0004","90","","108.357","0.003","90","","817.49","0.06","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Aqua(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) monohydrate","","- C16 H17 Co N3 O6 -","- C16 H17 Co N3 O6 -","- C32 H34 Co2 N6 O12 -","2","1","SJ2563","Ng, Hwa Loong; Ng, Chew Hee; Ng, Seik Weng","Aqua(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) monohydrate","Acta Crystallographica Section E","2009","65","1","m41","","10.1107/S1600536808041226","","","0.71073","MoKα","","0.0647","0.0475","","","0.1079","0.1263","","","","","","1.002","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2223113","4.176","0.003","7.395","0.003","21.513","0.018","90","","94.08","0.03","90","","662.7","0.8","294","2","294","2","","","","","","","","4","P 1 n 1","P -2yac","7","","8-(4-Nitrobenzyloxy)quinoline","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","HK2759","Zhang, Yuan; Li, Yong Hua","8-(4-Nitrobenzyloxy)quinoline","Acta Crystallographica Section E","2009","65","9","o2270","","10.1107/S1600536809033212","","","0.71073","MoKα","","0.053","0.0422","","","0.0807","0.086","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223561","4.4449","0.0006","6.4937","0.0008","22.222","0.002","90","","91.334","0.001","90","","641.24","0.13","298","2","298","2","","","","","","","","3","P 1 n 1","P -2yac","7","","3,3'-Oxybi[isobenzofuran-1(3<i>H</i>)-one]","","- C16 H10 O5 -","- C16 H10 O5 -","- C32 H20 O10 -","2","1","SJ2658","Li, Wenkuan; Yin, Handong; Wen, Liyuan; Li, Kang; Fan, Weidong","3,3'-Oxybi[isobenzofuran-1(3<i>H</i>)-one]","Acta Crystallographica Section E","2009","65","10","o2577","","10.1107/S1600536809038914","","","0.71073","MoKα","","0.0408","0.0311","","","0.0719","0.078","","","","","","1.008","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224486","8.3959","0.0017","15.564","0.003","10.702","0.002","90","","102.23","0.03","90","","1366.7","0.5","291","2","291","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Diacetato{4'-[4-(benzyloxy)phenyl]-2,2':6',2''-terpyridine}zinc(II)","","- C32 H27 N3 O5 Zn -","- C32 H27 N3 O5 Zn -","- C64 H54 N6 O10 Zn2 -","2","1","WM2284","Li, Wei; Lu, Zhan Guo","Diacetato{4'-[4-(benzyloxy)phenyl]-2,2':6',2''-terpyridine}zinc(II)","Acta Crystallographica Section E","2009","65","12","m1672","","10.1107/S1600536809049502","","","0.71073","MoKα","","0.0841","0.0367","","","0.0802","0.106","","","","","","0.981","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225170","13.3411","0.0012","10.4347","0.0008","19.8517","0.0017","90","","103.446","0.003","90","","2687.8","0.4","193","2","193","2","","","","","","","","4","P 1 n 1","P -2yac","7","","<i>N</i>,<i>N</i>'-Bis(3-nitrobenzylidene)-2,2'-[2-(3- nitrophenyl)imidazolidine-1,3-diyl]diethanamine","","- C27 H27 N7 O6 -","- C27 H27 N7 O6 -","- C108 H108 N28 O24 -","4","2","BT5175","Habibi, Mohammad Hossein; Abarghooei-Shirazi, Narges; Yamane, Yuki; Suzuki, Takayoshi","<i>N</i>,<i>N</i>'-Bis(3-nitrobenzylidene)-2,2'-[2-(3-nitrophenyl)imidazolidine-1,3-diyl]diethanamine","Acta Crystallographica Section E","2010","66","3","o501","","10.1107/S1600536810003168","","","0.71075","MoKα","","0.0688","0.0353","","","0.0804","0.1003","","","","","","1.087","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226617","8.6391","0.0004","6.2313","0.0004","11.4459","0.0008","90","","108.893","0.001","90","","582.97","0.06","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","2-[(1,3-benzothiazol-2-yl)iminomethyl]phenol","","- C14 H10 N2 O S -","- C14 H10 N2 O S -","- C28 H20 N4 O2 S2 -","2","1","NK2043","Asiri, Abdullah M.; Khan, Salman A.; Tan, Kong Wai; Ng, Seik Weng","A monoclinic modification of 2-[(1,3-benzothiazol-2-yl)iminomethyl]phenol","Acta Crystallographica Section E","2010","66","7","o1826","","10.1107/S1600536810023755","","","0.71073","MoKα","","0.0412","0.0399","","","0.108","0.1096","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226754","11.0357","0.0013","9.2129","0.0011","14.4282","0.0017","90","","96.723","0.001","90","","1456.8","0.3","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","Bis{2-[(diisopropylphosphanyl)amino]pyridine-κ^2^<i>N</i>^1^,<i>P</i>}copper(I) hexafluoridophosphate","","- C22 H38 Cu F6 N4 P3 -","- C22 H38 Cu F6 N4 P3 -","- C44 H76 Cu2 F12 N8 P6 -","2","1","ZS2038","Öztopcu, Özgür; Kirchner, Karl; Mereiter, Kurt","Bis{2-[(diisopropylphosphanyl)amino]pyridine-κ^2^<i>N</i>^1^,<i>P</i>}copper(I) hexafluoridophosphate","Acta Crystallographica Section E","2010","66","7","m729","m730","10.1107/S1600536810020283","","","0.71073","MoKα","","0.0221","0.0208","","","0.0537","0.0544","","","","","","1.017","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227006","9.2055","0.0012","6.8314","0.0009","11.2443","0.0014","90","","112.047","0.002","90","","655.41","0.15","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Piperazine-1,4-diium 2-(carboxymethyl)-2-hydroxybutanedioate monohydrate","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C20 H40 N4 O16 -","2","1","LH5096","Liu, Ling-Li","Piperazine-1,4-diium 2-(carboxymethyl)-2-hydroxybutanedioate monohydrate","Acta Crystallographica Section E","2010","66","8","o2191","","10.1107/S1600536810030151","","","0.71073","Mokα","","0.0448","0.0447","","","0.1242","0.1243","","","","","","0.843","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227419","8.3146","0.0007","6.901","0.0005","12.5873","0.001","90","","102.94","0.002","90","","703.91","0.1","200","2","200","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrabromidoplatinum(IV)","","- C10 H8 Br4 N2 Pt -","- C10 H8 Br4 N2 Pt -","- C20 H16 Br8 N4 Pt2 -","2","1","FJ2332","Ha, Kwang","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrabromidoplatinum(IV)","Acta Crystallographica Section E","2010","66","10","m1213","","10.1107/S1600536810034793","","","0.71073","MoKα","","0.0303","0.0274","","","0.0513","0.0531","","","","","","0.978","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229903","9.591","0.0003","13.4369","0.0004","15.129","0.0005","90","","94.706","0.001","90","","1943.15","0.11","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","Bis[dicyclohexyl(phenyl)phosphane-κ<i>P</i>]silver(I) perchlorate dichloromethane monosolvate","","- C37 H56 Ag Cl3 O4 P2 -","- C37 H56 Ag Cl3 O4 P2 -","- C74 H112 Ag2 Cl6 O8 P4 -","2","1","ZS2098","Munyaneza, Apollinaire; Meijboom, Reinout; Omondi, Bernard","Bis[dicyclohexyl(phenyl)phosphane-κ<i>P</i>]silver(I) perchlorate dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","4","m483","m484","10.1107/S1600536811009822","","","0.71073","MoKα","","0.0178","0.0174","","","0.0444","0.0446","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230917","14.4823","0.0009","18.4007","0.0008","14.6257","0.001","90","","117.823","0.007","90","","3446.9","0.4","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","niobium(V)-Tri-mu-oxo-tetraphenylporphyrinate","Tri-μ-oxido-bis[(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)niobium(V)]","","- C88 H56 N8 Nb2 O3 -","- C88 H56 N8 Nb2 O3 -","- C176 H112 N16 Nb4 O6 -","2","1","XU5216","Soury, Raoudha; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","Tri-μ-oxido-bis[(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)niobium(V)]","Acta Crystallographica Section E","2011","67","7","m862","m863","10.1107/S1600536811020538","","","0.71073","MoKα","","0.0771","0.0618","","","0.1572","0.1659","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233527","8.365","0.002","10.408","0.002","11.487","0.003","90","","91.768","0.004","90","","999.6","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Butylbis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(pyridine- κ<i>N</i>)cobalt(III)","","- C17 H28 Co N5 O4 -","- C17 H28 Co N5 O4 -","- C34 H56 Co2 N10 O8 -","2","1","IS5041","Kumar, Sarvendra; Thapa, Suresh","Butylbis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(pyridine-κ<i>N</i>)cobalt(III)","Acta Crystallographica Section E","2012","68","2","m156","m157","10.1107/S1600536812000967","","","0.71073","MoKα","","0.0464","0.0423","","","0.0954","0.0995","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233753","6.1359","0.0005","4.7512","0.0004","21.31","0.003","90","","96.195","0.009","90","","617.62","0.11","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","(2<i>E</i>)-2-(4-Bromobenzylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","","- C16 H11 Br O -","- C16 H11 Br O -","- C32 H22 Br2 O2 -","2","1","BT5818","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-(4-Bromobenzylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","3","o755","","10.1107/S1600536812006654","","","0.71073","MoKα","","0.0445","0.0356","","","0.0636","0.0676","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233890","3.9638","0.0002","11.0211","0.0008","8.711","0.0007","90","","101.344","0.005","90","","373.11","0.05","294","2","294","2","","","","","","","","3","P 1 n 1","P -2yac","7","","5-Sulfanylidene-2<i>H</i>,5<i>H</i>-1,3-dithiolo[4,5-<i>d</i>][1,3]dithiol-2-one","","- C4 O S5 -","- C4 O S5 -","- C8 O2 S10 -","2","1","IS5027","Wen, Hua-Wen; Fan, Li-Xia; Liu, Li; Li, Ao; Fang, Qi","5-Sulfanylidene-2<i>H</i>,5<i>H</i>-1,3-dithiolo[4,5-<i>d</i>][1,3]dithiol-2-one","Acta Crystallographica Section E","2012","68","3","o721","","10.1107/S1600536812005703","","","0.71073","MoKα","","0.0521","0.044","","","0.1244","0.1296","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235586","10.998","0.002","7.4536","0.0015","12.271","0.003","90","","95.86","0.03","90","","1000.7","0.4","153","2","153","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Tetraaqua{5-[(pyridin-2-ylmethylidene)amino]benzene-1,3-dicarboxylato- κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate","","- C14 H24 N2 Ni O12 -","- C14 H24 N2 Ni O12 -","- C28 H48 N4 Ni2 O24 -","2","1","QK2036","Wang, Huan-Huan; Duan, Guang-He; Wang, Lin; Xie, Ya-Bo","Tetraaqua{5-[(pyridin-2-ylmethylidene)amino]benzene-1,3-dicarboxylato-κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","7","m964","","10.1107/S1600536812027122","","","0.71073","MoKα","","0.0187","0.0183","","","0.0434","0.0436","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235800","7.8393","0.0002","9.7462","0.0002","10.9147","0.0002","90","","103.251","0.001","90","","811.72","0.03","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","2-Aminoterephthalic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C14 H21 N3 O6 -","- C14 H21 N3 O6 -","- C28 H42 N6 O12 -","2","1","FY2048","Loos, Stefan; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian","2-Aminoterephthalic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","8","o2501","","10.1107/S1600536812031431","","","0.71073","MoKα","","0.0333","0.0311","","","0.089","0.0915","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236858","8.4432","0.0005","5.303","0.0004","16.3443","0.0011","90","","90.453","0.006","90","","731.78","0.09","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Diphenyl (isopropylamido)phosphate","","- C15 H18 N O3 P -","- C15 H18 N O3 P -","- C30 H36 N2 O6 P2 -","2","1","FF2090","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Babiak, Michal","Diphenyl (isopropylamido)phosphate","Acta Crystallographica Section E","2012","68","12","o3459","","10.1107/S1600536812047940","","","0.71073","MoKα","","0.0286","0.0273","","","0.08","0.0808","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238632","11.1738","0.0002","9.39846","0.00016","13.6046","0.0002","90","","105.109","0.002","90","","1379.32","0.04","123","2","123.3","0.3","","","","","","","","5","P 1 n 1","P -2yac","7","","[2-(1-Hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]dimethylammonium chloranilate ethyl acetate","","- C26 H35 Cl2 N O8 -","- C26 H35 Cl2 N O8 -","- C52 H70 Cl4 N2 O16 -","2","1","HG5346","Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Byrappa, K.","Desvenlafaxinium chloranilate ethyl acetate solvate","Acta Crystallographica Section E","2013","69","10","o1556","o1557","10.1107/S1600536813025312","","","0.7107","MoKα","","0.0629","0.0571","","","0.1511","0.1576","","","","","","1.053","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238741","7.563","0.0005","6.5593","0.0004","13.2319","0.0009","90","","100.072","0.006","90","","646.29","0.07","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","","<i>N</i>-(1<i>H</i>-Indol-3-ylmethylidene)-4-methylpiperazin-1-amine","","- C14 H18 N4 -","- C14 H18 N4 -","- C28 H36 N8 -","2","1","HG5354","Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet","<i>N</i>-(1<i>H</i>-Indol-3-ylmethylidene)-4-methylpiperazin-1-amine","Acta Crystallographica Section E","2013","69","11","o1706","","10.1107/S1600536813028523","","","0.71073","MoKα","","0.0718","0.0582","","","0.1442","0.1628","","","","","","1.057","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239008","10.1823","0.0007","8.0932","0.0006","13.8111","0.0012","90","","102.749","0.002","90","","1110.08","0.15","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(<i>E</i>)-2-Bromo-1-[2-(2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]ethanone","","- C24 H17 Br N2 O5 S -","- C24 H17 Br N2 O5 S -","- C48 H34 Br2 N4 O10 S2 -","2","1","HG5374","Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.","(<i>E</i>)-2-Bromo-1-[2-(2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]ethanone","Acta Crystallographica Section E","2014","70","2","o149","","10.1107/S1600536814000488","","","0.71073","MoKα","","0.0649","0.0436","","","0.1047","0.1162","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239365","8.7823","0.0003","9.6068","0.0003","12.4894","0.0004","90","","94.834","0.003","90","","1049.98","0.06","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","(<i>Z</i>)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine","(<i>Z</i>)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine","","- C26 H28 N2 -","- C26 H28 N2 -","- C52 H56 N4 -","2","1","HB7219","Shivaprakash, S.; Chandrasekara Reddy, G.; Jasinski, Jerry P.","(<i>Z</i>)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine","Acta Crystallographica Section E","2014","70","5","o576","","10.1107/S1600536814008289","","","1.54184","CuKα","","0.0367","0.0351","","","0.0946","0.0963","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239503","10.5452","0.0007","6.3093","0.0004","13.7813","0.0009","90","","91.626","0.004","90","","916.54","0.1","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","5-Cyclopentyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","BT6977","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o592","","10.1107/S160053681400868X","","","0.71073","MoKα","","0.0601","0.043","","","0.0979","0.1057","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239692","3.9699","0.001","19.437","0.005","15.402","0.004","90","","90.908","0.003","90","","1188.3","0.5","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","","- C11 H9 Br2 N3 O -","- C11 H9 Br2 N3 O -","- C44 H36 Br8 N12 O4 -","4","2","CV5467","Bunev, Alexander S.; Troshina, Marina A.; Ostapenko, Gennady I.; Pavlova, Andzhela P.; Khrustalev, Victor N.","2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","Acta Crystallographica Section E","2014","70","7","o818","","10.1107/S1600536814014603","","","0.71073","MoKα","","0.0308","0.0282","","","0.0665","0.0673","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2241584","6.473","0.0013","11.449","0.002","10.385","0.002","90","","102.42","0.03","90","","751.6","0.3","243","2","243","2","","","","","","","","6","P 1 n 1","P -2yac","7","","<i>trans</i>-Dichlorido(1,4,8,11-tetraazaundecane-κ^4^<i>N</i>)chromium(III) perchlorate","","- C7 H20 Cl3 Cr N4 O4 -","- C7 H20 Cl3 Cr N4 O4 -","- C14 H40 Cl6 Cr2 N8 O8 -","2","1","WM5269","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>trans</i>-dichlorido(1,4,8,11-tetraazaundecane-κ^4^<i>N</i>)chromium(III) perchlorate determined from synchrotron data","Acta Crystallographica Section E","2016","72","3","424","427","10.1107/S2056989016002978","","","0.62","synchrotron","","0.0279","0.0252","","","0.065","0.0658","","","","","","1.066","","","","has coordinates,has Fobs","176880","2020-10-21","18:00:00",""
"2241672","9.47","0.004","12.351","0.005","13.575","0.005","90","","94.327","0.005","90","","1583.3","1.1","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[bis(ammonium) [bis(μ~4~-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate]","","- C28 H32 N4 O14 Zn2 -","- C28 H32 N4 O14 Zn2 -","- C56 H64 N8 O28 Zn4 -","2","1","ZL2661","Ordonez, Carlos; Fonari, Marina S.; Wei, Qiang; Timofeeva, Tatiana V.","Crystal structure of poly[bis(ammonium) [bis(μ~4~-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate]","Acta Crystallographica Section E","2016","72","5","764","767","10.1107/S2056989016007027","","","0.71073","MoKα","","0.0408","0.033","","","0.0639","0.0676","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","182417","2020-10-21","18:00:00",""
"2241691","12.903","0.003","13.761","0.003","14.876","0.003","90","","96.67","0.03","90","","2623.5","1","130","2","130","2","","","","","","","","6","P 1 n 1","P -2yac","7","","7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin(2+) bis(perchlorate) dichloromethane trisolvate","","- C47 H34 Br4 Cl8 N4 O8 -","- C47 H34 Br4 Cl8 N4 O8 -","- C94 H68 Br8 Cl16 N8 O16 -","2","1","HB7580","Scheidt, W. Robert; Duval, Hugues F.; Oliver, Allen G.","Ring-strain release in neutral and dicationic 7,8,17,18-tetrabromo-5,10,15,20-tetraphenylporphyrin: crystal structures of C~44~H~26~Br~4~N~4~ and C~44~H~28~Br~4~N~4~^2+^·2ClO~4~^{-^}·3CH~2~Cl~2~","Acta Crystallographica Section E","2016","72","6","824","828","10.1107/S2056989016007349","","","0.71073","MoKα","","0.0848","0.0596","","","0.1509","0.1851","","","","","","1.06","","","","has coordinates,has Fobs","183053","2020-10-21","18:00:00",""
"2242629","10.5172","0.0003","7.421","0.0002","23.5592","0.0005","90","","93.861","0.002","90","","1834.58","0.08","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","<i>catena</i>-Poly[bis(2-amino-3-hydroxypyridinium) [zinc-di-μ-phosphonato] dihydrate]","","- C10 H20 N4 O10 P2 Zn -","- C10 H20 N4 O10 P2 Zn -","- C40 H80 N16 O40 P8 Zn4 -","4","2","CQ2027","Holmes, William; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks","Acta Crystallographica Section E","2018","74","10","1411","1416","10.1107/S2056989018012343","","","0.71073","MoKα","","0.0562","0.0457","","","0.1108","0.1211","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","210871","2020-10-21","18:00:00",""
"2243396","14.1955","0.0009","16.3349","0.0011","16.6144","0.001","90","","94.235","0.002","90","","3842.1","0.4","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Tetra-μ-aqua-tris(μ-3-chlorobenzoato)(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentamanganese(III)sodium(I) dimethylformamide tetraolvate 0.72-hydrate","","- C64 H72.44 Cl3 Mn5 N9 Na O27.72 -","- C64 H72.436 Cl3 Mn5 N9 Na O27.718 -","- C128 H144.872 Cl6 Mn10 N18 Na2 O55.436 -","2","1","","Zaleski, Curtis M.; Zeller, Matthias","Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O","Acta Crystallographica Section E","2020","76","6","848","856","10.1107/S2056989020006362","","","0.71073","MoKα","","0.0429","0.0342","","","0.0863","0.0913","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","252206","2020-10-21","18:00:00",""
"2243452","7.84","0.0016","6.34","0.0013","9.768","0.002","90","","107.32","0.03","90","","463.51","0.18","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","Posnjakite","Poly[[hexa-μ-hydroxido-tetracopper(II)] sulfate monohydrate]","","- Cu4 H8 O11 S -","- Cu4 H8 O11 S -","- Cu8 H16 O22 S2 -","2","1","TX2024","Mills, Stuart; Aishima, Jun; Aragao, David; Caradoc-Davies, Tom Tudor; Cowieson, Nathan; Gee, Christine L.; Ericsson, Daniel; Harrop, Stephen; Panjikar, Santosh; Smith, Kate Mary Louise; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Price, Jason Roy","Crystal structure of posnjakite formed in the first crystal water-cooling line of the ANSTO Melbourne Australian Synchrotron MX1 Double Crystal Monochromator","Acta Crystallographica Section E","2020","76","7","1136","1138","10.1107/S2056989020008099","","","0.71074","synchrotron","","0.0306","0.0288","","","0.0714","0.0738","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","253512","2020-10-21","18:00:00",""
"2243479","14.3622","0.0011","16.5258","0.0011","16.8246","0.0012","90","","92.347","0.003","90","","3989.9","0.5","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ~2~-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate","","- C68 H72 Dy Mn4 N8 Na O32 -","- C68 H72 Dy Mn4 N8 Na O32 -","- C136 H144 Dy2 Mn8 N16 Na2 O64 -","2","1","PK2637","Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate","Acta Crystallographica Section E","2020","76","8","1213","1221","10.1107/S2056989020008853","","","0.71073","MoKα","","0.11","0.0733","","","0.1916","0.219","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","254113","2020-10-21","18:00:00",""
"2243744","4.9472","0.0005","9.9021","0.001","7.1002","0.0007","90","","91.464","0.003","90","","347.71","0.06","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1,3-Dithiane 1,1,3,3-tetraoxide","","- C4 H8 O4 S2 -","- C4 H8 O4 S2 -","- C8 H16 O8 S4 -","2","1","EY2004","Harlow, Richard L.; Oliver, Allen G.; Sammes, Michael P.","C—H···O contacts in the crystal structure of 1,3-dithiane 1,1,3,3-tetraoxide","Acta Crystallographica Section E","2021","77","2","204","207","10.1107/S2056989021000876","","","0.71073","MoKα","","0.0278","0.0265","","","0.0544","0.0549","","","","","","1.154","","","","has coordinates,has Fobs","261324","2021-01-30","06:12:18",""
"2244176","4.5017","0.0012","14.047","0.004","10.567","0.003","90","","96.3","0.015","90","","664.2","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","Benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C30 H28 N4 O6 -","2","1","YK2176","Vinaya; Basavaraju, Yeriyur B.; Lakshmana, Beliyaiah; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009100","","","1.54184","CuKα","","0.0257","0.0242","","","0.0621","0.0629","","","","","","1.04","","","","has coordinates,has Fobs","278104","2022-09-23","02:06:56",""
"2311764","6.0925","0.0005","26.145","0.002","12.1017","0.001","90","","99.3633","0.0017","90","","1902","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","GW5053","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.062","0.0433","","","0.1037","0.1126","","","","","","1.109","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311765","6.1262","0.0006","26.531","0.002","12.0982","0.0011","90","","99.5055","0.0016","90","","1939.4","0.3","200","0.1","200","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0694","0.0458","","","0.098","0.1089","","","","","","1.093","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311766","6.1343","0.0009","26.629","0.004","12.0933","0.0018","90","","99.514","0.003","90","","1948.3","0.5","220","0.1","220","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.114","0.0634","","","0.1602","0.1896","","","","","","1.06","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311767","6.1398","0.0008","26.721","0.004","12.0772","0.0017","90","","99.554","0.002","90","","1953.9","0.5","240","0.1","240","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.1096","0.0574","","","0.1428","0.168","","","","","","1.103","","","","has coordinates","246103","2020-10-21","18:00:00",""
"2311768","6.1457","0.0008","26.765","0.003","12.0716","0.0016","90","","99.654","0.002","90","","1957.5","0.4","250","0.1","250","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","Hexamethylenetetramine bis(benzoic acid)","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","2","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","879","890","10.1107/S2052520617009520","","","0.71073","MoKα","","0.0856","0.0506","","","0.1111","0.1284","","","","","","1.051","","","","has coordinates","246103","2020-10-21","18:00:00",""
"4000593","12.5807","0.0013","12.7201","0.0013","13.913","0.0014","90","0.001","108.744","0.002","90","0.002","2108.4","0.4","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- Co2 H4 Mo10 N4 O38 -","- Co Mo5 N2.5 O23 -","- Co4 Mo20 N10 O92 -","4","2","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0503634","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001356","10.7396","0.001","10.7984","0.001","20.278","0.002","90","","93.61","0.002","90","","2347","0.4","153","2","153","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Hexakis-tert-butylthiolatobistrimethylphosphinehexacopper(I)","","- C30 H72 Cu6 P2 S6 -","- C30 H72 Cu6 P2 S6 -","- C60 H144 Cu12 P4 S12 -","2","1","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.0438","0.0334","","","0.0738","0.0777","","","","","","0.991","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001515","10.3601","0.0008","12.1853","0.0009","10.5378","0.0008","90","","101.082","0.002","90","","1305.5","0.17","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(2-aminoethyl)-4-nitroaniline - propionic acid (salt)","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","2","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.0718","0.0506","","","0.1065","0.1108","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001542","11.692","0.004","18.023","0.007","11.772","0.005","90","","90.71","0.02","90","","2480.5","1.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C24 H56 Cu4 O8 P4 Se8 -","- C24 H56 Cu4 O8 P4 Se8 -","- C48 H112 Cu8 O16 P8 Se16 -","2","1","","Hsu, Yung-Jung; Hung, Chiu-Ming; Lin, Yi-Feng; Liaw, Ben-Jie; Lobana, Tarlok S.; Lu, Shih-Yuan; Liu, C. W.","[Cu4{Se2P(OiPr)2}4]: A Novel Precursor Enabling Preparation of Nonstoichiometric Copper Selenide (Cu2-xSe) Nanowires","Chemistry of Materials","2006","18","14","3323","","10.1021/cm060478n","","","0.71073","MoKα","","0.0859","0.0712","","","0.1462","0.1534","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003383","4.9431","0.0004","9.02","0.0007","6.0536","0.0005","90","","90.797","0.003","90","","269.88","0.04","273","2","273","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- F H6 N Na O4 P -","- F H6 N Na O4 P -","- F2 H12 N2 Na2 O8 P2 -","2","1","","Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming","Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2018","30","21","7823","","10.1021/acs.chemmater.8b03310","","","0.71073","MoKα","","0.0229","0.0222","","","0.0571","0.0574","","","","","","1.294","","","","has coordinates","231557","2020-10-21","18:00:00",""
"4003920","8.1305","0.0002","19.48","0.0005","9.0508","0.0002","90","","91.955","0.002","90","","1432.65","0.06","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","KSb5S8","","","- K2 S16 Sb10 -","- K2 S16 Sb10 -","- K4 S32 Sb20 -","2","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0194","0.019","","","0.0458","0.0459","","","","","","1.008","","","","has coordinates","265754","2021-06-04","00:59:32",""
"4003922","8.177","0.0002","19.5619","0.0004","9.0795","0.0002","90","","91.822","0.002","90","","1451.6","0.06","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","RbSb5S8","","","- Rb2 S16 Sb10 -","- Rb2 S16 Sb10 -","- Rb4 S32 Sb20 -","2","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0299","0.0291","","","0.0813","0.0817","","","","","","1.242","","","","has coordinates","265754","2021-06-04","00:59:33",""
"4004059","18.4709","0.0005","9.53635","0.00016","18.6873","0.0005","90","","114.223","0.003","90","","3001.86","0.14","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C40 H64 Cl10 N4 Sb2 -","- C40 H64 Cl10 N4 Sb2 -","- C80 H128 Cl20 N8 Sb4 -","2","1","","Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo","Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield","Chemistry of Materials","2022","34","2","537","546","10.1021/acs.chemmater.1c02725","","","0.71073","MoKα","","0.0226","0.0211","","","0.0491","0.0496","","","","","","0.998","","","","has coordinates","272492","2022-02-03","22:53:36",""
"4020314","10.7023","0.0004","5.7153","0.0002","17.0466","0.0006","90","","102.982","0.001","90","","1016.04","0.06","125","2","125","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H22 N2 O6 -","- C24 H22 N2 O6 -","- C48 H44 N4 O12 -","2","1","","Sergiu Coseri; G. David Mendenhall; K. U. Ingold","","Journal of Organic Chemistry","2005","70","","4629","4636","10.1021/jo0504060","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020458","11.466","0.002","13.3","0.003","12.444","0.003","90","","90.18","0.03","90","","1897.7","0.7","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C44 H52 O8 -","- C44 H52 O8 -","- C88 H104 O16 -","2","1","","Carmen Mateo; Concepción Pérez-Melero; Rafael Peláez; Manuel Medarde","","Journal of Organic Chemistry","2005","70","","6544","6547","10.1021/jo0508393","","","","","","","0.0629","","","0.1663","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021672","9.7776","0.0005","13.6558","0.0005","9.8864","0.0005","90","","101.014","0.0006","90","","1295.7","0.1","173.2","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C34 H34 N2 -","- C34 H34 N2 -","- C68 H68 N4 -","2","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0505","","","","0.1505","","","","","","1.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022059","3.8182","0.0007","17.949","0.003","9.4768","0.0016","90","","94.48","0.01","90","","647.5","0.2","120","2","120","2","","","","","","","","3","P 1 n 1","P -2yac","7","","2-(Buta-1,3-diynyl)pyrazine","","- C8 H4 N2 -","- C8 H4 N2 -","- C32 H16 N8 -","4","2","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0625","0.0553","","","0.1505","0.1566","","","","","","1.054","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022405","14.5472","0.0015","6.0792","0.0006","20.508","0.002","90","","92.548","0.002","90","","1811.8","0.3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H18 F3 N O4 -","- C18 H18 F3 N O4 -","- C72 H72 F12 N4 O16 -","4","2","","Xiao-Long Qiu; Feng-Ling Qing","Synthesis of cis-4-Trifluoromethyl- and cis-4-Difluoromethyl‒pyroglutamic Acids","Journal of Organic Chemistry","2003","68","","3614","3617","10.1021/jo034098m","","","0.71073","MoKα","","0.1592","0.0389","","","0.0615","0.0822","","","","","","0.648","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023068","9.0254","0.0008","10.636","0.001","11.5572","0.001","90","","95.432","0.001","90","","1104.44","0.17","294","2","294","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C50 H60 N4 O10 -","2","1","","Hai-Long Wei; Ze-Yi Yan; Yan-Ning Niu; Gao-Qiang Li; Yong-Min Liang","New Light on an Old Story: Facile and Efficient Synthesis of 1,3-Diaryl-5-spirohexahydro- pyrimidines via a Six-Molecule, Three-Component Mannich-Type Reaction","Journal of Organic Chemistry","2007","72","","8600","8603","10.1021/jo7016235","","","0.71073","MoKα","","0.0544","0.04","","","0.1082","0.1228","","","","","","0.827","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025185","8.9422","0.0002","10.7454","0.0003","10.7371","0.0003","90","","110.343","0.0014","90","","967.35","0.04","296.1","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C46 H44 O10 -","2","1","","Haruyasu Asahara; Kohta Saito; Naohiko Ikuma; Takumi Oshima","Kinetic Evidence for Dihapto (η2) π-Aryl Participation in Acid-Catalyzed Ring Opening of Diarylhomobenzoquinone Epoxides","Journal of Organic Chemistry","2010","75","","733","740","10.1021/jo902179x","","","1.54187","CuKα","","","0.0481","","","","0.122","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025436","20.2466","0.0014","14.2736","0.001","24.141","0.0016","90","","96.01","0.001","90","","6938.2","0.8","173","1","173","1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C146 H194 Cl6 O14 -","- C146 H194 Cl6 O14 -","- C292 H388 Cl12 O28 -","2","1","","Norbert Itzhak; Silvio E. Biali","Selective Functionalization of a Single Methylene Bridge of a Calix[6]arene","Journal of Organic Chemistry","2010","75","","3437","3442","10.1021/jo1005476","","","0.71073","MoKα","","0.114","0.0812","","","0.2067","0.2274","","","","","","1.049","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4026078","6.4585","0.0001","9.7432","0.0002","14.0722","0.0003","90","","97.442","0.001","90","","878.05","0.03","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","none","15-phenyl-3,14-dioxanonacyclo [10.4.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^13,16^.0^15,18^.0^19,20^] icosa-10-one","","- C24 H22 O3 -","- C24 H22 O3 -","- C48 H44 O6 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0275","0.025","","","0.0657","0.0684","","","","","","0.881","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026094","10.5615","0.0012","8.3727","0.0009","11.8537","0.0012","90","","108.972","0.002","90","","991.26","0.19","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","1","","Kai Ding; Yun-shan Sun; Wei-Sheng Tian","Total Synthesis of (\±)-Spiniferin-1 via a Polyfluoroalkanosulfonyl Fluoride Induced Homoallylic Carbocation Rearrangement Reaction","Journal of Organic Chemistry","2011","76","","1495","1498","10.1021/jo102351k","","","0.71073","MoKα","","0.079","0.0399","","","0.0516","0.0581","","","","","","0.764","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4028199","16.5731","0.0004","6.5305","0.0002","31.5251","0.0008","90","","94.15","0.002","90","","3403.04","0.16","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","4","","Mukulesh Mondal; Han-Jen Ho; Nicholas J. Peraino; Melanie A. Gary; Kraig A. Wheeler; Nessan J. Kerrigan","Diastereoselective Reaction of Sulfoxonium Ylides, Aldehydes and Ketenes: An Approach to trans-γ-Lactones","Journal of Organic Chemistry","2013","78","","4587","4593","10.1021/jo4003213","","","1.54178","CuKα","","0.104","0.0692","","","0.1561","0.175","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4029002","9.1444","0.0006","10.7731","0.0006","10.2668","0.0006","90","","115.759","0.003","90","","910.91","0.1","200","2","200","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H18 I N3 O2 -","- C18 H18 I N3 O2 -","- C36 H36 I2 N6 O4 -","2","1","","Zanwar, Manoj R.; Kavala, Veerababurao; Gawande, Sachin D.; Kuo, Chun-Wei; Huang, Wen-Chang; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa","FeCl3 Catalyzed Regioselective C-Alkylation of Indolylnitroalkenes with Amino Group Substituted Arenes.","The Journal of organic chemistry","2014","79","4","1842","1849","10.1021/jo4025368","","","0.71073","MoKα","","0.0388","0.0336","","","0.0718","0.0742","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029197","9.7237","0.0011","18.257","0.002","19.364","0.002","90","","91.061","0.001","90","","3437","0.6","90","2","90","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","4","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.033","0.0306","","","0.0757","0.0775","","","","","","1.043","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029408","10.9755","0.0001","11.2553","0.0002","22.7841","0.0003","90","","94.201","0.001","90","","2807.02","0.07","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C34.5 H37 N O1.5 -","- C34.5 H37 N O1.5 -","- C138 H148 N4 O6 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0525","0.0443","","","0.1118","0.1187","","","","","","0.764","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029514","22.564","0.002","21.265","0.002","23.331","0.002","90","","90.599","0.003","90","","11194.1","1.7","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C120 H138 N14 O24 -","- C120 H138 N14 O24 -","- C480 H552 N56 O96 -","4","2","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1559","0.1064","","","0.2662","0.3107","","","","","","1.073","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029726","6.4732","0.0005","10.4674","0.0007","14.5108","0.001","90","","95.05","0.001","90","","979.4","0.12","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C46 H46 N6 O8 -","2","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0276","0.0273","","","0.0713","0.0715","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030098","12.0854","0.0005","11.5177","0.0005","24.1477","0.0011","90","","103.661","0.001","90","","3266.2","0.2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H23 O2.5 Se -","- C16 H23 O2.5 Se -","- C128 H184 O20 Se8 -","8","4","","Orlov, Nikolay V.; Chistyakov, Igor V.; Khemchyan, Levon L.; Ananikov, Valentine P.; Beletskaya, Irina P.; Starikova, Zoya A.","Exclusive selectivity in the one-pot formation of C-C and C-se bonds involving ni-catalyzed alkyne hydroselenation: optimization of the synthetic procedure and a mechanistic study.","The Journal of organic chemistry","2014","79","24","12111","12121","10.1021/jo501953f","","","0.71073","MoKα","","0.0508","0.0363","","","0.0746","0.0799","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030145","10.8941","0.0013","19.949","0.002","11.7899","0.0014","90","","94.385","0.002","90","","2554.8","0.5","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","compound 6","","","- C31 H20 F3 N3 O -","- C31 H20 F3 N3 O -","- C124 H80 F12 N12 O4 -","4","2","","Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea","Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration.","The Journal of organic chemistry","2014","79","22","11039","11050","10.1021/jo502047n","","","0.71073","MoKα","","0.0741","0.0471","","","0.0884","0.0996","","","","","","1.065","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030305","9.5308","0.0008","9.7901","0.0009","13.8253","0.0012","90","","100.914","0.002","90","","1266.67","0.19","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H30 N2 O7 S -","- C27 H30 N2 O7 S -","- C54 H60 N4 O14 S2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0487","0.0412","","","0.0772","0.0785","","","","","","1.413","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030655","7.5869","0.0004","14.3161","0.0008","7.9651","0.0004","90","","117.226","0.002","90","","769.28","0.07","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C34 H28 N8 O8 -","2","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0669","0.0454","","","0.0919","0.1051","","","","","","1.037","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4031844","5.7685","0.0003","7.7643","0.0005","42.4758","0.0018","90","","91.849","0.007","90","","1901.43","0.18","93","","93","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H12 F3 N O2 S2 -","- C23 H12 F3 N O2 S2 -","- C92 H48 F12 N4 O8 S8 -","4","2","","Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro","Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence.","The Journal of organic chemistry","2016","81","2","433","441","10.1021/acs.joc.5b02191","","","1.54187","CuKα","","","0.0417","","","","0.1031","","","","","","0.979","","","","has coordinates,has disorder","175705","2020-10-21","18:00:00",""
"4032107","6.4258","0.001","9.9859","0.0007","10.2112","0.0012","90","","107.515","0.015","90","","624.85","0.14","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M.","Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes.","The Journal of organic chemistry","2017","82","1","471","480","10.1021/acs.joc.6b02540","","x-ray","0.71073","MoKα","","0.035","0.0328","","","0.0873","0.0902","","","","","","0.924","","","","has coordinates","193545","2020-10-21","18:00:00",""
"4032323","5.8539","0.0006","27.248","0.002","15.506","0.003","90","","100.049","0.013","90","","2435.4","0.6","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C112 H96 N32 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.1194","0.0709","","","0.1698","0.1983","","","","","","1.022","","","","has coordinates,has disorder","193305","2020-10-21","18:00:00",""
"4032850","9.4351","0.0007","5.8009","0.0003","13.4209","0.0014","90","","103.224","0.01","90","","715.08","0.1","289.6","0.2","289.6","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C30 H32 O8 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","","0.71073","MoKα","","0.0873","0.0557","","","0.0817","0.0985","","","","","","1.045","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032857","5.13742","0.00016","9.0247","0.0003","13.0607","0.0005","90","","94.461","0.003","90","","603.71","0.04","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","1.54184","CuKα","","0.0278","0.0273","","0.0691","0.0686","0.0691","","","","","","1.0091","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4033230","7.2447","0.001","13.8888","0.0018","8.0725","0.0011","90","","101.937","0.002","90","","794.69","0.19","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C38 H40 O14 -","2","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","0.71073","MoKα","","0.0304","0.0293","","","0.0783","0.0794","","","","","","1.076","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033325","11.2302","0.0013","9.7297","0.0011","21.768","0.002","90","","97.322","0.009","90","","2359.1","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C46 H58 F6 N2 O17 -","- C46 H58 F6 N2 O17 -","- C92 H116 F12 N4 O34 -","2","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","x-ray","0.71073","MoKα","","0.0684","0.0503","","","0.0829","0.0906","","","","","","1.053","","","","has coordinates","227559","2020-10-21","18:00:00",""
"4036949","5.8149","0.0007","7.7454","0.0009","15.5132","0.0013","90","","95.543","0.008","90","","695.43","0.13","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","(2S,3R)-4-nitro-2,3-diphenylbutanal","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Donadío, Lucía Gandolfi; Galetti, Mariana A.; Giorgi, Gianluca; Rasparini, Marcello; Comin, Maria J.","Anti-Selective Organocatalytic Michael Addition between Phenylacetaldehyde and Nitrostyrene.","The Journal of organic chemistry","2016","81","17","7952","7957","10.1021/acs.joc.6b01061","","","0.71073","MoKα","","0.1035","0.0392","","","0.0586","0.0667","","","","","","0.737","","","","has coordinates","235469","2020-10-21","18:00:00",""
"4037029","5.641","0.002","8.206","0.003","10.243","0.004","90","","94.7605","0.001","90","","472.5","0.3","93","","93","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C18 H22 N2 O4 S2 -","2","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","0.71075","MoKα","","0.0419","0.041","","","0.1034","0.1038","","","","","","0.997","","","","has coordinates","235585","2020-10-21","18:00:00",""
"4037645","8.7013","0.0008","6.5826","0.0007","38.629","0.004","90","","95.329","0.002","90","","2203","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H19.5 Br Cl N O4 -","- C23 H19.5 Br Cl N O4 -","- C92 H78 Br4 Cl4 N4 O16 -","4","2","","Shi, Hao-Nan; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched 1-Indanones via Double-Base Cooperatively Promoted 1,4-<i>Oxo</i>-Migration/Cyclization of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02525","","","0.71073","MoKα","","0.1344","0.0859","","","0.2115","0.2286","","","","","","1.063","","","","has coordinates,has disorder","245155","2020-10-21","18:00:00",""
"4038139","6.2091","0.0007","11.431","0.0014","31.863","0.004","90","","94.557","0.004","90","","2254.4","0.5","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C29 H27 N3 -","- C29 H27 N3 -","- C116 H108 N12 -","4","2","","Chang, Meng-Yang; Tsai, Yu-Lin","One-Pot Amberlyst 15-Controlled Cyclocondensation of Piperidines and Arylaldehydes. Synthesis of 3,5-Diarylmethyl Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03315","","","0.71073","MoKα","","0.0691","0.0471","","","0.107","0.1236","","","","","","1.079","","","","has coordinates","249803","2020-10-21","18:00:00",""
"4038367","8.73091","0.00008","7.86576","0.00005","11.09899","0.00009","90","","110.593","0.001","90","","713.521","0.011","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C11 H8 F7 N2 O3 P S -","- C11 H8 F7 N2 O3 P S -","- C22 H16 F14 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.023","0.023","","","0.0634","0.0634","","","","","","1.085","","","","has coordinates","252111","2020-10-21","18:00:00",""
"4038371","9.33396","0.00012","8.28139","0.0001","11.25557","0.00014","90","","109.401","0.0014","90","","820.629","0.019","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C11 H8 Cl4 F3 N2 O3 P S -","- C11 H8 Cl4 F3 N2 O3 P S -","- C22 H16 Cl8 F6 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0246","0.0246","","","0.0587","0.0587","","","","","","1.092","","","","has coordinates,has disorder","252115","2020-10-21","18:00:00",""
"4038470","9.1129","0.0011","11.1539","0.0014","10.0597","0.0012","90","","107.223","0.004","90","","976.7","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C46 H40 N4 O4 S2 -","2","1","","Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam","Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00899","","","0.71073","MoKα","","0.0657","0.0487","","","0.1284","0.1451","","","","","","0.933","","","","has coordinates","253044","2020-10-21","18:00:00",""
"4038840","6.381","0.004","13.803","0.009","7.88","0.005","90","","95.82","0.02","90","","690.5","0.8","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H20 N2 -","- C16 H20 N2 -","- C32 H40 N4 -","2","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.064","0.0481","","","0.1111","0.1209","","","","","","1.028","","","","has coordinates","256778","2020-10-21","18:00:00",""
"4060131","17.3463","0.0016","10.4371","0.0014","18.6531","0.0019","90","","103.929","0.006","90","","3277.7","0.6","160","2","160","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C80 H78 N4 P2 Zr -","- C80 H78 N4 P2 Zr -","- C160 H156 N8 P4 Zr2 -","2","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.0275","0.0261","","","0.0631","0.0633","","","","","","2.165","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060155","12.2632","0.0007","10.4353","0.0006","13.2677","0.0007","90","","94.028","0.001","90","","1693.68","0.16","243","2","243","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C32 H52 O2 Si2 Zr -","- C32 H52 O2 Si2 Zr -","- C64 H104 O4 Si4 Zr2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om049273j","","","0.71073","MoKα","","0.0261","0.0246","","","0.0665","0.0674","","","","","","1.118","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060642","9.2722","0.0004","15.0937","0.0007","17.2511","0.0008","90","","90.701","0.001","90","","2414.14","0.19","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H11 O10 Os3 Sb -","- C18 H11 O10 Os3 Sb -","- C72 H44 O40 Os12 Sb4 -","4","2","","","","Organometallics","2006","","","","","10.1021/om0508132","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060743","10.74","0.002","16.23","0.003","21.295","0.004","90","","101.92","0.03","90","","3631.9","1.2","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","siloxane","","","- C65 H75 In Li2 O10 Si4 -","- C65 H75 In Li2 O10 Si4 -","- C130 H150 In2 Li4 O20 Si8 -","2","1","","Mrinialini G. Walawalkar","A Rare Lithium Indium Siloxane: Synthesis and Crystal Structure of [InMe{(OPh~2~Si)~2~O}~2~-μ-{Li(THF)~2~}~2~]","Organometallics","2003","22","","879","881","10.1021/om0209172","","","","","","","","","","","","","","","","","","","","","has coordinates","178496","2020-10-21","18:00:00",""
"4061582","13.136","0.003","11.189","0.002","13.592","0.003","90","","91.61","0.03","90","","1997","0.7","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C26 H55 Li O11 Si3 Sn W -","- C25.97 H27 Li O11 Si3 Sn W -","- C51.94 H54 Li2 O22 Si6 Sn2 W2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0503747","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061583","13.171","0.003","11.244","0.002","13.646","0.003","90","","91.64","0.03","90","","2020.1","0.7","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C26 H55 Li Mo O11 Si3 Sn -","- C26 H55 Li Mo O11 Si3 Sn -","- C52 H110 Li2 Mo2 O22 Si6 Sn2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om0503747","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061761","13.241","0.003","12.013","0.003","17.175","0.004","90","","94.036","0.006","90","","2725.2","1","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C60 H90 Fe N4 O -","- C60 H90 Fe N4 O -","- C120 H180 Fe2 N8 O2 -","2","1","","","","Organometallics","2005","","","","","10.1021/om050625b","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4061954","12.15","0.0012","8.8305","0.0008","16.9544","0.0016","90","","106.744","0.003","90","","1741.9","0.3","143","2","143","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C31 H33 Cl8 O2 P Pt -","- C31 H33 Cl8 O2 P Pt -","- C62 H66 Cl16 O4 P2 Pt2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178516","2020-10-21","18:00:00",""
"4061962","7.1608","0.0014","9.5139","0.0019","13.892","0.003","90","","97.32","0.03","90","","938.7","0.3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H21 B10 N Sn -","- C12 H21 B10 N Sn -","- C24 H42 B20 N2 Sn2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178516","2020-10-21","18:00:00",""
"4062189","11.134","0.0003","14.2679","0.0004","11.5519","0.0003","90","","93.612","0.002","90","","1831.48","0.09","123","2","123","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C27 H61 Al Ga N2 Sb Si2 -","- C27 H61 Al Ga N2 Sb Si2 -","- C54 H122 Al2 Ga2 N4 Sb2 Si4 -","2","1","","Thomas, Florian; Schulz, Stephan; Nieger, Martin","Unexpected Rearangement reaction of Lewis-Base Stabilized Group 13/15 Compounds with Group 13 Trialkyls","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178517","2020-10-21","18:00:00",""
"4062333","11.516","0.0016","13.485","0.0011","21.632","0.003","90","","96.276","0.007","90","","3339.2","0.7","120","0.1","120","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C55 H125 Li O4 Si7 -","- C55 H125 Li O4 Si7 -","- C110 H250 Li2 O8 Si14 -","2","1","","Ichinohe, Masaaki; Kinjo, Rei; Sekiguchi, Akira","The First Stable Methyl-Substituted Disilene: Synthesis, Crystal Structure, and Regiospecific MeLi Addition","Organometallics","2003","22","23","4621","4623","10.1021/om030571a","","","","","","","","","","","","","","","","","","","","","has coordinates","192118","2020-10-21","18:00:00",""
"4063407","9.1558","0.0005","20.1898","0.0012","17.0198","0.001","90","","98.344","0.001","90","","3112.9","0.3","294","2","294","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C65 H49 Ge3 Ir O11 Ru3 -","- C65 H49 Ge3 Ir O11 Ru3 -","- C130 H98 Ge6 Ir2 O22 Ru6 -","2","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Transformations of Triphenylgermyl Ligands in Iridium−Ruthenium Carbonyl Cluster Complexes","Organometallics","2011","30","2","328","333","10.1021/om100989s","","","0.71073","MoKα","","0.0674","0.0527","","","0.1072","0.1136","","","","","","1.075","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063412","13.5089","0.001","35.94","0.003","19.3128","0.0015","90","","92.056","0.001","90","","9370.5","1.3","153","2","153","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C68 H92 Au4 F24 N16 P4 -","- C68 Au4 F24 N16 P4 -","- C272 Au16 F96 N64 P16 -","4","2","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","0.71073","MoKα","","0.1497","0.0791","","","0.2136","0.2539","","","","","","1.022","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4064058","7.858","0.0002","9.7895","0.0002","8.153","0.0002","90","","108.008","0.003","90","","596.45","0.03","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0282","0.0266","","","0.0706","0.0711","","","","","","1.018","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064199","8.631","0.003","20.819","0.006","15.561","0.004","90","","91.35","0.008","90","","2795.4","1.5","93","2","93","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H35 Cl Ir O4 P -","- C28 H35 Cl Ir O4 P -","- C112 H140 Cl4 Ir4 O16 P4 -","4","2","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.0657","0.0531","","","0.092","0.0981","","","","","","0.986","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4066355","10.9515","0.0001","14.1024","0.0002","15.331","0.0001","90","","97.331","0.001","90","","2348.4","0.04","200","2","200","2","","","","","","","","6","P 1 n 1","P -2yac","7","in manuscript 5a","","","- C20 H41 Cl N P2 Rh -","- C20 H41 Cl N P2 Rh -","- C80 H164 Cl4 N4 P8 Rh4 -","4","2","","Urtel, Heiko; Meier, Claudia; Rominger, Frank; Hofmann, Peter","Neutralcis-Alkyl Olefin Rhodium(I) Complexes: Models of Intermediates in Late Transition Metal Olefin Polymerization with Surprising Structure†","Organometallics","2010","29","21","5496","","10.1021/om100413m","","","0.71073","MoKα","","0.03","0.0234","","","0.0504","0.0529","","","","","","1.066","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066546","11.7871","0.0008","11.8143","0.0008","24.2512","0.0016","90","","100.896","0.001","90","","3316.2","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C75 H68 B4 Cl2 Lu2 N4 -","- C75 H68 B4 Cl2 Lu2 N4 -","- C150 H136 B8 Cl4 Lu4 N8 -","2","1","","Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Synthesis and Structural Features of Boratabenzene Rare-Earth Metal Alkyl Complexes","Organometallics","2010","29","17","3722","","10.1021/om1005116","","","0.71073","MoKα","","0.0949","0.0852","","","0.2042","0.2118","","","","","","1.013","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066556","9.1117","0.0001","11.1189","0.0001","22.3721","0.0002","90","","101.374","0.0005","90","","2222.05","0.04","150","","150","","","","","","","","","6","P 1 n 1","P -2yac","7","","Sm(O2N_NMe2){N(SiMe3)2}","","- C40 H72 N3 O2 Si2 Sm -","- C40 H72 N3 O2 Si2 Sm -","- C80 H144 N6 O4 Si4 Sm2 -","2","1","","Dyer, Hellen E.; Huijser, Saskia; Susperregui, Nicolas; Bonnet, Fanny; Schwarz, Andrew D.; Duchateau, Robbert; Maron, Laurent; Mountford, Philip","Ring-Opening Polymerization ofrac-Lactide by Bis(phenolate)amine-Supported Samarium Borohydride Complexes: An Experimental and DFT Study","Organometallics","2010","29","16","3602","","10.1021/om100513j","","","0.71073","MoKα","","0.0364","0.0281","","0.0413","0.0321","0.0321","","","","","","0.9528","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066896","5.6233","0.0006","12.5738","0.0013","6.7557","0.0007","90","","100.803","0.008","90","","469.2","0.09","200","2","200","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C11 H15 Co -","- C11 H15 Co -","- C22 H30 Co2 -","2","1","","Hapke, Marko; Weding, Nico; Spannenberg, Anke","Highly Reactive Cyclopentadienylcobalt(I) Olefin Complexes","Organometallics","2010","29","19","4298","","10.1021/om100692k","","","0.71073","MoKα","","0.0454","0.0412","","","0.0917","0.093","","","","","","1.054","","","","has coordinates,has disorder","178560","2020-10-21","18:00:00",""
"4067093","11.3197","0.0015","17.216","0.007","23.233","0.015","90","","91.95","0.02","90","","4525","4","200","2","200","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C90 H120 Cu4 N8 Ti6 -","- C90 H120 Cu4 N8 Ti6 -","- C180 H240 Cu8 N16 Ti12 -","2","1","","Martínez-Espada, Noelia; Mena, Miguel; Mosquera, Marta E. G.; Pérez-Redondo, Adrián; Yélamos, Carlos","Cyclopentadienyl and Alkynyl Copper(I) Derivatives with the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Organometallics","2010","29","24","6732","","10.1021/om100824q","","x-ray","0.71073","MoKα","","0.0861","0.0447","","","0.0793","0.0883","","","","","","0.935","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067153","11.6815","0.0009","12.2521","0.0012","15.3294","0.0015","90","","104.493","0.005","90","","2124.2","0.3","173","2","173","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C36 H36 Cl2 F6 O7 P Ru2 S4 -","- C36 H35 Cl2 F6 O7 P Ru2 S4 -","- C72 H70 Cl4 F12 O14 P2 Ru4 S8 -","2","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Preparation of Thiolate-Bridged Dinuclear Ruthenium Complexes Bearing a Phosphine Ligand and Application to Propargylic Reduction of Propargylic Alcohols with 2-Propanol","Organometallics","2010","29","22","5994","","10.1021/om100852x","","","0.71069","MoKα","","0.0858","0.0525","","","0.1125","0.1397","","","","","","1.123","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067345","11.239","0.005","22.213","0.012","22.686","0.011","90","","92.841","0.012","90","","5657","5","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C54.5 H68 Cr N6 O6 Si2 Zr -","- C54.5 H68 Cr N6 O6 Si2 Zr -","- C218 H272 Cr4 N24 O24 Si8 Zr4 -","4","2","","Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","Bridging N-Aminoisocyanate Ligands in Heterobimetallic Complexes: Coupling of Zirconium Hydrazinediides and Transition-Metal Carbonyls","Organometallics","2010","29","1","28","","10.1021/om900877c","","x-ray","0.71073","MoKα","","0.0597","0.0387","","","0.0846","0.097","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067681","7.8591","0.0001","12.9952","0.0002","12.7598","0.0002","90","","99.7066","0.0007","90","","1284.51","0.03","150","","150","","","","","","","","","6","P 1 n 1","P -2yac","7","","Al(N2_Ts_N_OMe)Et","","- C23 H34 Al N3 O5 S2 -","- C23 H34 Al N3 O5 S2 -","- C46 H68 Al2 N6 O10 S4 -","2","1","","Schwarz, Andrew D.; Chu, Zengyong; Mountford, Philip","Sulfonamide-Supported Aluminum Catalysts for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2010","29","5","1246","","10.1021/om901070g","","","0.71073","MoKα","","0.0362","0.0298","","0.0403","0.0287","0.0287","","","","","","1.1015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067768","12.591","0.002","13.083","0.003","17.732","0.003","90","","90.47","0.01","90","","2920.9","1","150","2","150","2","","","","","","","synthetical product","4","P 1 n 1","P -2yac","7","Tetrakis(4-diisopropylhydroxysilylphenyl)methane","","","- C55 H90 O4 Si4 -","- C55 H90 O4 Si4 -","- C110 H180 O8 Si8 -","2","1","","Kawakami, Yoshiteru; Sakuma, Yoshinobu; Wakuda, Takashi; Nakai, Tatsuya; Shirasaka, Masayoshi; Kabe, Yoshio","Hydrogen-Bonding 3D Networks by Polyhedral Organosilanols: Selective Inclusion of Hydrocarbons in Open Frameworks","Organometallics","2010","29","15","3281","","10.1021/om901120m","","","0.71073","MoKα","","0.091","0.0672","","","0.177","0.2018","","","","","","1.027","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067769","12.7","0.002","13.154","0.002","17.541","0.003","90","","93.05","0","90","","2926.2","0.8","90","2","90","2","","","","","","","synthetical product","4","P 1 n 1","P -2yac","7","Tetrakis(4-diisopropylhydroxysilylphenyl)silane","","","- C55 H92 O4 Si5 -","- C55 H92 O4 Si5 -","- C110 H184 O8 Si10 -","2","1","","Kawakami, Yoshiteru; Sakuma, Yoshinobu; Wakuda, Takashi; Nakai, Tatsuya; Shirasaka, Masayoshi; Kabe, Yoshio","Hydrogen-Bonding 3D Networks by Polyhedral Organosilanols: Selective Inclusion of Hydrocarbons in Open Frameworks","Organometallics","2010","29","15","3281","","10.1021/om901120m","","","0.71073","MoKα","","0.0775","0.0707","","","0.1653","0.1735","","","","","","1.114","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4068601","13.8273","0.001","13.4512","0.0009","16.6229","0.0012","90","","113.66","0.005","90","","2831.9","0.4","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C27 H40 Ir N P2 S -","- C27 H40 Ir N P2 S -","- C108 H160 Ir4 N4 P8 S4 -","4","2","","Whited, Matthew T.; Grubbs, Robert H.","Elucidation of Heterocumulene Activation by a Nucleophilic-at-Metal Iridium(I) Carbene","Organometallics","2009","28","1","161","","10.1021/om8009766","","","0.71073","MoKα","","0.1287","0.106","","","0.2813","0.2971","","","","","","1.055","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4069364","10.3837","0.0006","14.7111","0.0008","23.2619","0.0012","90","","94.9","0.004","90","","3540.4","0.3","133","2","133","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C66 H58 Cl8 N6 O14 P2 Pt2 -","- C66 H58 Cl8 N6 O14 P2 Pt2 -","- C132 H116 Cl16 N12 O28 P4 Pt4 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.; Bautista, Delia","Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes","Organometallics","2009","28","12","3501","","10.1021/om9001582","","","0.71073","MoKα","","0.0825","0.0453","","","0.0653","0.072","","","","","","0.882","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069681","12.3994","0.0004","21.8906","0.0008","16.1491","0.0006","90","","94.569","0.001","90","","4369.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C86 H84 F12 Fe2 P6 -","- C86 H84 F12 Fe2 P6 -","- C172 H168 F24 Fe4 P12 -","2","1","","Tanaka, Yuya; Shaw-Taberlet, Jennifer A.; Justaud, Frédéric; Cador, Olivier; Roisnel, Thierry; Akita, Munetaka; Hamon, Jean-René; Lapinte, Claude","Electronic and Magnetic Couplings in Free and π-Coordinated 1,4-Diethynylnaphthalene-Bridged [Cp*(dppe)Fe]n+(n= 0, 1) Units","Organometallics","2009","28","16","4656","","10.1021/om900352q","","x-ray","0.71073","MoKα","","0.05","0.0461","","","0.1337","0.1367","","","","","","1.093","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069797","14.6118","0.0015","22.666","0.002","15.5491","0.0017","90","","100.227","0.002","90","","5067.9","0.9","298","2","298","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C94 H81 Ag4 F24 N19 P4 -","- C94 H81 Ag4 F24 N19 P4 -","- C188 H162 Ag8 F48 N38 P8 -","2","1","","Liu, Ailing; Zhang, Xiaoming; Chen, Wanzhi","New Pincer CC′C Complexes of Nickel(II) via Chloronickelation of Alkyne-Bearing N-Heterocyclic Carbenes","Organometallics","2009","28","16","4868","","10.1021/om900419b","","","0.71073","MoKα","","0.106","0.0569","","","0.1354","0.1705","","","","","","1.014","","","","has coordinates,has disorder","178586","2020-10-21","18:00:00",""
"4070128","12.364","0.005","10.377","0.004","15.826","0.006","90","","108.472","0.005","90","","1925.9","1.3","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C37 H57 Bi N2 O Si2 Zr -","- C37 H57 Bi N2 O Si2 Zr -","- C74 H114 Bi2 N4 O2 Si4 Zr2 -","2","1","","Nekoueishahraki, Bijan; Jana, Anukul; Roesky, Herbert W.; Mishra, Lallan; Stern, Daniel; Stalke, Dietmar","Synthesis and Structural Characterization of Heterobimetallic Bismuth Complexes with Main Group and Transition Metals","Organometallics","2009","28","19","5733","","10.1021/om900623w","","","0.71073","MoKα","","0.0279","0.026","","","0.0536","0.0542","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070129","12.3404","0.0014","10.334","0.0011","15.7596","0.0018","90","","108.189","0.001","90","","1909.3","0.4","100","2","100","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C36 H54 Bi Cl Hf N2 O Si2 -","- C36 H54 Bi Cl Hf N2 O Si2 -","- C72 H108 Bi2 Cl2 Hf2 N4 O2 Si4 -","2","1","","Nekoueishahraki, Bijan; Jana, Anukul; Roesky, Herbert W.; Mishra, Lallan; Stern, Daniel; Stalke, Dietmar","Synthesis and Structural Characterization of Heterobimetallic Bismuth Complexes with Main Group and Transition Metals","Organometallics","2009","28","19","5733","","10.1021/om900623w","","","0.71073","MoKα","","0.0251","0.0245","","","0.0599","0.0604","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070677","6.278","0.002","7.28","0.003","10.834","0.004","90","","101.286","0.006","90","","485.6","0.3","173","2","173","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C13 H14 Co -","- C13 H14 Co -","- C26 H28 Co2 -","2","1","","Mayer, Ulrich F. J.; Charmant, Jonathan P. H.; Rae, James; Manners, Ian","Synthesis and Structures of Strained, Neutral [d7] and Cationic [d6] Hydrocarbon-Bridged [n]Cobaltocenophanes (n= 2, 3)","Organometallics","2008","27","7","1524","","10.1021/om700941v","","x-ray","0.71074","MoKα","","0.0225","0.0203","","","0.046","0.047","","","","","","1.014","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070795","9.341","0.001","10.443","0.001","11.71","0.004","90","","99.72","0.02","90","","1125.9","0.4","200","2","200","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H25 N3 O6 Si -","- C23 H25 N3 O6 Si -","- C46 H50 N6 O12 Si2 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Structural Investigations into the β-Effect of Pentavalent Silicon","Organometallics","2008","27","5","994","","10.1021/om701017q","","","1.5418","CuKα","","0.0334","0.0314","","","0.0822","0.084","","","","","","1.055","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4072327","11.8415","0.0011","11.8468","0.0011","24.244","0.002","90","","101.164","0.002","90","","3336.7","0.5","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C75 H68 B4 Cl2 N4 Y2 -","- C75 H68 B4 Cl2 N4 Y2 -","- C150 H136 B8 Cl4 N8 Y4 -","2","1","","Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement","Organometallics","2008","27","23","6307","","10.1021/om800770a","","","0.71073","MoKα","","0.0954","0.0426","","","0.0785","0.0931","","","","","","0.917","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072436","11.3333","0.0013","9.0086","0.001","15.1704","0.0018","90","","101.477","0.002","90","","1517.9","0.3","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C37 H38 Ge O4 -","- C37 H38 Ge O4 -","- C74 H76 Ge2 O8 -","2","1","","Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Escudié, Jean; Gornitzka, Heinz; Ouhsaine, Fatima","Versatile Reactivity of the Germene Mes2GeCR2toward Esters and Related Carbonyl Derivatives","Organometallics","2007","26","15","3729","","10.1021/om060917s","","","0.71073","MoKα","","0.0301","0.0283","","","0.07","0.0712","","","","","","1.043","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072854","11.852","0.007","6.165","0.002","20.203","0.013","90","","96.06","0.02","90","","1467.9","1.4","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H43 B2 K N2 O2 -","- C28 H43 B2 K N2 O2 -","- C56 H86 B4 K2 N4 O4 -","2","1","","Ly, Hanh V.; Forster, Taryn D.; Corrente, Andrea M.; Eisler, Dana J.; Konu, Jari; Parvez, Masood; Roesler, Roland","Alkali-Metal Sandwich Complexes of a 1,2-Diaza-3,5-diborolyl Ligand Featuring η1, η2, η3, and η4Coordination Modes","Organometallics","2007","26","7","1750","","10.1021/om061091x","","","0.71073","MoKα","","0.0964","0.053","","","0.122","0.1439","","","","","","1.032","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4073787","11.782","0.005","9.46","0.005","12.125","0.005","90","0.005","105.38","0.005","90","0.005","1303","1","293","2","293","2","","","","","","","synthesis as described","6","P 1 n 1","P -2yac","7","","","","- C26 H24 F6 Fe O2 P2 -","- C26 H24 F6 Fe O2 P2 -","- C52 H48 F12 Fe2 O4 P4 -","2","1","","Chaudhury, Subhabrata; Li, Shukun; Bennett, Dennis W.; Siddiquee, Tasneem; Haworth, Daniel T.; Donaldson, William A.","Preparation, Characterization, and Reactivity of (3-Methylpentadienyl)iron(1+) Cations","Organometallics","2007","26","22","5295","","10.1021/om7006248","","x-ray","0.71069","MoKα","","0.0792","0.0726","","","0.1844","0.1926","","","","","","1.05","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4074142","10.0685","0.0006","7.6424","0.0005","17.0127","0.001","90","","99.351","0.001","90","","1291.69","0.14","153","2","153","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C22 H26 B Br Mo N10 O -","- C22 H26 B Br Mo N10 O -","- C44 H52 B2 Br2 Mo2 N20 O2 -","2","1","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0325","0.0313","","","0.0759","0.0766","","","","","","1.074","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074515","12.6554","0.0017","21.369","0.003","16.374","0.002","90","","99.367","0.002","90","","4369","1","294","2","294","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H64 Al N3 Si2 -","- C42 H64 Al N3 Si2 -","- C168 H256 Al4 N12 Si8 -","4","2","","Li, Xiaofei; Duan, Lili; Song, Haibin; Ni, Chengbao; Cui, Chunming","Facile Generation of Aluminum 1,2-Dihydropyridyl and Hydroxyl Derivatives from an Aluminum Cyclopropene Analogue","Organometallics","2006","25","23","5665","","10.1021/om060722k","","","0.71073","MoKα","","0.1182","0.0642","","","0.1571","0.1929","","","","","","1.007","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4075857","10.1787","0.0005","14.5223","0.0006","13.365","0.0006","90","","102.214","0.001","90","","1930.87","0.15","86","2","86","2","","","","","","","","5","P 1 n 1","P -2yac","7","bis-diazolePdCl2 + 0.5MeCN","","","- C16 H25.5 Cl2 N4.5 Pd -","- C16 H25.5 Cl2 N4.5 Pd -","- C64 H102 Cl8 N18 Pd4 -","4","2","","Jin, Chuan-Ming; Twamley, Brendan; Shreeve, Jean'ne M.","Low-Melting Dialkyl- and Bis(polyfluoroalkyl)-Substituted 1,1‘-Methylenebis(imidazolium) and 1,1‘-Methylenebis(1,2,4-triazolium) Bis(trifluoromethanesulfonyl)amides: Ionic Liquids Leading to Bis(N-heterocyclic carbene) Complexes of Palladium","Organometallics","2005","24","12","3020","","10.1021/om050210q","","","0.71073","MoKα","","0.032","0.0311","","","0.0721","0.0725","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077358","7.0669","0.0005","15.8404","0.001","9.7152","0.0006","90","","100.581","0.001","90","","1069.05","0.12","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 F2 O12 P2 Ru4 -","- C12 F2 O12 P2 Ru4 -","- C24 F4 O24 P4 Ru8 -","2","1","","Kahlal, Samia; Wang, Weibin; Scoles, Ludmila; Udachin, Konstantin A.; Saillard, Jean-Yves; Carty, Arthur J.","Synthesis, Structural, and Theoretical Analysis of Ru4(CO)12(μ-PF2)(μ4-P): Is the μ4-P Atom a Three-Electron or a Five-Electron Donor?","Organometallics","2001","20","22","4469","","10.1021/om010352u","","","0.7107","MoKα","","0.0507","0.0435","","","0.1196","0.1298","","","","","","1.097","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077514","13.584","0.003","13.527","0.003","17.136","0.003","90","","109.18","0.03","90","","2974","1.2","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H42 F6 Fe P4 -","- C26 H42 F6 Fe P4 -","- C104 H168 F24 Fe4 P16 -","4","2","","Edwards, Peter G.; Whatton, Mark L.; Haigh, Robert","A New Nine-Membered Triphosphorus Macrocycle","Organometallics","2000","19","14","2652","","10.1021/om0002879","","","0.71073","MoKα","","0.0652","0.0598","","","0.1623","0.1737","","","","","","1.091","","","","has coordinates,has disorder","178664","2020-10-21","18:00:00",""
"4079031","10.874","0.002","15.942","0.003","19.558","0.004","90","","98.592","0.007","90","","3352.4","1.1","173","","173","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H38 Au F3 N2 O -","- C32 H42 Au F3 N2 O2 -","- C128 H168 Au4 F12 N8 O8 -","4","2","","Zhang, Cheng-Pan; Vicic, David A.","Oxygen-Bound Trifluoromethoxide Complexes of Copper and Gold","Organometallics","2012","31","22","7812","","10.1021/om3002747","","","0.71075","MoKα","","","0.0319","","","","0.0726","","","","","","1.06","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079033","10.783","0.003","15.794","0.004","19.398","0.005","90","","98.494","0.007","90","","3267.4","1.5","173","","173","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C32 H46 Cu F3 N2 O2 -","- C32 H42 Cu F3 N2 O2 -","- C128 H168 Cu4 F12 N8 O8 -","4","2","","Zhang, Cheng-Pan; Vicic, David A.","Oxygen-Bound Trifluoromethoxide Complexes of Copper and Gold","Organometallics","2012","31","22","7812","","10.1021/om3002747","","","0.71075","MoKα","","","0.0686","","","","0.1145","","","","","","0.969","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079063","12.4283","0.0009","12.2637","0.0006","14.8561","0.001","90","","108.995","0.005","90","","2141","0.2","173","2","173","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C41 H46 B11 Ge N O P2 Pd -","- C41 H46 B11 Ge N O P2 Pd -","- C82 H92 B22 Ge2 N2 O2 P4 Pd2 -","2","1","","Dimmer, Jörg-Alexander; Hornung, Martin; Wütz, Tobias; Wesemann, Lars","Germa- and Stanna-closo-dodecaborate in Reaction with [PdCl2(Xantphos)]: P‒C and B‒H Bond Activation","Organometallics","2012","31","20","7044","","10.1021/om300438x","","","0.71073","MoKα","","0.0463","0.0385","","","0.0677","0.0707","","","","","","1.137","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079843","11.0341","0.0003","10.756","0.0003","14.995","0.0004","90","","99.226","0.002","90","","1756.63","0.08","103","2","103","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C37 H47 B Mg O3 P2 S -","- C37 H47 B Mg O3 P2 S -","- C74 H94 B2 Mg2 O6 P4 S2 -","2","1","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71073","MoKα","","0.0874","0.0567","","","0.1214","0.1504","","","","","","1.035","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079887","10.9102","0.0009","13.9485","0.0011","19.4162","0.0015","90","","98.836","0.001","90","","2919.7","0.4","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","corannulene-(tris(dimethoxyethane)-lithium)","","- C32 H40 Li O6 -","- C32 H40 Li O6 -","- C128 H160 Li4 O24 -","4","2","","Spisak, Sarah N.; Zabula, Alexander V.; Ferguson, Michael V.; Filatov, Alexander S.; Petrukhina, Marina A.","“Naked” Mono- and Dianions of Corannulene with Lithium Counterions","Organometallics","2013","32","2","538","","10.1021/om300998p","","","0.71073","Mo-Kα","","0.1081","0.0867","","","0.1676","0.1783","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080547","9.9895","0.0004","11.5666","0.0005","15.541","0.0006","90","","105.054","0.002","90","","1734.05","0.12","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C38 H26 B F15 N2 -","- C38 H26 B F15 N2 -","- C76 H52 B2 F30 N4 -","2","1","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.059","0.04","","","0.0813","0.0893","","","","","","1.011","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4081634","7.7023","0.0003","10.0311","0.0004","7.8506","0.0003","90","","109.833","0.002","90","","570.58","0.04","141","2","141","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C9 H21 Bi -","- C9 H21 Bi -","- C18 H42 Bi2 -","2","1","","Schulz, Stephan; Kuczkowski, Andreas; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Haack, Rebekka","Solid-State Structures of Trialkylbismuthines BiR3(R = Me,i-Pr)","Organometallics","2013","32","19","5445","","10.1021/om400730r","","","0.71073","MoKα","","0.0246","0.0233","","","0.0622","0.0627","","","","","","1.237","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081852","9.8534","0.0002","13.3759","0.0003","14.4473","0.0004","90","","108.745","0.001","90","","1803.13","0.07","193","2","193","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C39 H44 Ni P2 Ru S2 -","- C39 H44 Ni P2 Ru S2 -","- C78 H88 Ni2 P4 Ru2 S4 -","2","1","","Chambers, Geoffrey M.; Angamuthu, Raja; Gray, Danielle L.; Rauchfuss, Thomas B.","Organo Ruthenium‒Nickel Dithiolates with Redox-Responsive Nickel Sites","Organometallics","2013","32","21","6324","","10.1021/om4006824","","","1.54178","CuKα","","0.0231","0.0227","","","0.0554","0.0556","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081871","10.8861","0.0009","15.6003","0.0014","11.16","0.001","90","","112.189","0.004","90","","1754.9","0.3","110","2","110","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C42 H42 N2 O4 -","- C42 H42 N2 O4 -","- C84 H84 N4 O8 -","2","1","","Sahnoune, Hiba; Baranov Zuzana; Bhuvanesh, Nattamai; Gladysz, John A.; Halet, Jean-François","A Metal-Capped Conjugated Polyyne Threaded through a Phenanthroline-Based Macrocycle. Probing beyond the Mechanical Bond to Interactions in Interlocked Molecular Architectures","Organometallics","2013","32","21","6360","","10.1021/om400709q","","","1.54178","CuKα","","0.0459","0.0364","","","0.0832","0.09","","","","","","0.99","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4082544","9.7433","0.0004","10.3665","0.0006","13.7106","0.0007","90","","95.132","0.002","90","","1379.27","0.12","100","2","100","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C30 H32 Cl Li N O2 P S -","- C30 H32 Cl Li N O2 P S -","- C60 H64 Cl2 Li2 N2 O4 P2 S2 -","2","1","","Kupper, Claudia; Molitor, Sebastian; Gessner, Viktoria H.","Structure, Bonding, and Reactivity of Room-Temperature-Stable Lithium Chloride Carbenoids","Organometallics","2014","33","1","347","","10.1021/om4010862","","","0.71073","MoKα","","0.0288","0.0241","","","0.055","0.0567","","","","","","1.054","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082727","12.4681","0.0002","10.7533","0.0002","18.5863","0.0003","90","","98.318","0.001","90","","2465.71","0.07","133","2","133","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C53 H72 Ca N6 -","- C53 H72 Ca N6 -","- C106 H144 Ca2 N12 -","2","1","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.0329","0.0308","","","0.0721","0.0739","","","","","","1.084","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082938","6.3244","0.0007","12.4968","0.0009","15.4926","0.0017","90","","91.647","0.009","90","","1223.9","0.2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C12 H20 N4 O2 -","- C12 H20 N4 O2 -","- C48 H80 N16 O8 -","4","2","","Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie","Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design","Organometallics","2014","33","7","1678","","10.1021/om500014z","","","0.71073","MoKα","","0.0928","0.0621","","","0.132","0.1413","","","","","","0.82","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4083053","9.7907","0.0003","20.2094","0.0008","35.0149","0.0008","90","","91.708","0.002","90","","6925.1","0.4","100","","100.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C38 H45 Co P4 -","- C38 H45 Co P4 -","- C304 H360 Co8 P32 -","8","4","","Kent, Mark A.; Woodall, Christopher H.; Haddow, Mairi F.; McMullin, Claire L.; Pringle, Paul G.; Wass, Duncan F.","Cobalt PCP Pincer Complexes via an Unexpected Sequence of Ortho Metalations","Organometallics","2014","33","20","5686","","10.1021/om500079j","","","0.71073","MoKα","","0.1267","0.0961","","","0.2249","0.241","","","","","","1.095","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083419","15.326","","11.172","","15.729","","90","","112.41","","90","","2489.76","","280","2","280","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C38 H50 Cl2 Li2 N4 O8 P2 Pd2 S4 -","- C38 H38 Cl2 Li2 N4 O8 P2 Pd2 S4 -","- C76 H76 Cl4 Li4 N8 O16 P4 Pd4 S8 -","2","1","","Jian, Zhongbao; Wucher, Philipp; Mecking, Stefan","Heterocycle-Substituted Phosphinesulfonato Palladium(II) Complexes for Insertion Copolymerization of Methyl Acrylate","Organometallics","2014","33","11","2879","","10.1021/om500400a","","","0.71073","MoKα","","0.0876","0.0576","","","0.1424","0.1594","","","","","","0.95","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4085015","9.36415","0.00007","11.51241","0.00008","16.74418","0.00012","90","","92.3218","0.0007","90","","1803.61","0.02","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C32 H52 Lu N3 S Si2 -","- C32 H52 Lu N3 S Si2 -","- C64 H104 Lu2 N6 S2 Si4 -","2","1","","Luconi, Lapo; Lyubov, Dmitrii M.; Rossin, Andrea; Glukhova, Tatyana A.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","Organolanthanide Complexes Supported by Thiazole-Containing Amidopyridinate Ligands: Synthesis, Characterization, and Catalytic Activity in Isoprene Polymerization","Organometallics","2014","33","24","7125","","10.1021/om500918y","","","0.71073","MoKα","","0.0202","0.0184","","","0.0394","0.0398","","","","","","1.021","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085016","9.38846","0.00017","11.5607","0.0003","16.7385","0.0003","90","","92.0783","0.0017","90","","1815.55","0.07","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C32 H52 Er N3 S Si2 -","- C32 H52 Er N3 S Si2 -","- C64 H104 Er2 N6 S2 Si4 -","2","1","","Luconi, Lapo; Lyubov, Dmitrii M.; Rossin, Andrea; Glukhova, Tatyana A.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","Organolanthanide Complexes Supported by Thiazole-Containing Amidopyridinate Ligands: Synthesis, Characterization, and Catalytic Activity in Isoprene Polymerization","Organometallics","2014","33","24","7125","","10.1021/om500918y","","","0.71073","MoKα","","0.0183","0.0174","","","0.0399","0.0402","","","","","","1.02","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085017","9.36372","0.00012","11.5421","0.00014","16.75309","0.00018","90","","92.1653","0.0011","90","","1809.33","0.04","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C32 H52 N3 S Si2 Yb -","- C32 H52 N3 S Si2 Yb -","- C64 H104 N6 S2 Si4 Yb2 -","2","1","","Luconi, Lapo; Lyubov, Dmitrii M.; Rossin, Andrea; Glukhova, Tatyana A.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","Organolanthanide Complexes Supported by Thiazole-Containing Amidopyridinate Ligands: Synthesis, Characterization, and Catalytic Activity in Isoprene Polymerization","Organometallics","2014","33","24","7125","","10.1021/om500918y","","","0.71073","MoKα","","0.0242","0.0214","","","0.0421","0.0429","","","","","","1.033","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085706","14.976","0.007","14.669","0.006","18.633","0.008","90","","108.245","0.008","90","","3888","3","93","","93","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C41 H37 F6 O3 P3 Pd -","- C40.5 H37 F6 O3 P3 Pd -","- C162 H148 F24 O12 P12 Pd4 -","4","2","","Czauderna, Christine F.; Jarvis, Amanda G.; Heutz, Frank J. L.; Cordes, David B.; Slawin, Alexandra M. Z.; van der Vlugt, Jarl Ivar; Kamer, Paul C. J.","Chiral Wide-Bite-Angle Diphosphine Ligands: Synthesis, Coordination Chemistry, and Application in Pd-Catalyzed Allylic Alkylation","Organometallics","2015","34","9","1608","","10.1021/om5008055","","","0.7107","MoKα","","0.0671","0.0614","","","0.1578","0.1727","","","","","","1.053","","","","has coordinates","140250","2020-10-21","18:00:00",""
"4086031","8.3068","","22.468","","8.883","","90","","96.531","","90","","1647.14","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Fe2 Ru (C O)12","","- C12 Fe2 O11 Ru -","- C12 Fe2 O11 Ru -","- C48 Fe8 O44 Ru4 -","4","2","","Farrugia, L.J.; Gillon, A.L.; Braga, D.; Grepioni, F.","Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12 (n = 1,2) and the low-temperature phase of Fe3 (C O)12","Organometallics","1999","18","","5022","5033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086062","8.3741","","22.711","","8.9331","","90","","96.682","","90","","1687.39","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Fe2 Ru (C O)12","","- C12 Fe2 O8 Ru -","- C12 Fe2 O8 Ru -","- C48 Fe8 O32 Ru4 -","4","2","","Farrugia, L.J.; Gillon, A.L.; Braga, D.; Grepioni, F.","Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n = 1,2) and the low-temperature phase of Fe3 (C O)12","Organometallics","1999","18","","5022","5033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086147","11.731","0.0002","12.259","0.0003","21.654","0.0003","90","","101.101","0.001","90","","3055.8","0.1","100","2","100","2","","","","","","","synthesis as described","6","P 1 n 1","P -2yac","7","","","","- C64 H100 Ge2 O2.5 P2 Ru -","- C64 H100 Ge2 O2.5 P2 Ru -","- C128 H200 Ge4 O5 P4 Ru2 -","2","1","","Smart, Katharine A.; Mothes-Martin, Emmanuelle; Vendier, Laure; Perutz, Robin N.; Grellier, Mary; Sabo-Etienne, Sylviane","A Ruthenium Dihydrogen Germylene Complex and the Catalytic Synthesis of Digermoxane","Organometallics","2015","34","16","4158","","10.1021/acs.organomet.5b00570","","x-ray","0.71073","MoKα","","0.0337","0.0289","","","0.0644","0.0667","","","","","","1.038","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4087371","10.3045","0.0013","12.262","0.0015","17.288","0.002","90","","95.673","0.002","90","","2173.7","0.5","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C17 H23 F2 N O7 Ru S2 -","- C17 H23 F2 N O7 Ru S2 -","- C68 H92 F8 N4 O28 Ru4 S8 -","4","2","","Ueda, Takahiro; Mochida, Tomoyuki","Thermal Properties and Crystal Structures of Ionic Liquids from Ruthenium Sandwich Complexes with Trialkoxybenzene Ligands: Effects of Substituent Positions and Alkyl Chain Lengths","Organometallics","2015","34","7","1279","","10.1021/acs.organomet.5b00021","","","0.71073","MoKα","","0.0304","0.0301","","","0.077","0.0773","","","","","","1.05","","","","has coordinates","236758","2020-10-21","18:00:00",""
"4087469","9.7484","0.0005","17.0714","0.0009","15.9074","0.0008","90","","104.075","0.002","90","","2567.8","0.2","100","1","100","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H34 B7 I Ir N -","- C22 H34 B7 I Ir N -","- C88 H136 B28 I4 Ir4 N4 -","4","2","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0243","0.0236","","","0.062","0.0626","","","","","","1.044","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4088322","10.28","0.0003","13.6336","0.0004","12.6894","0.0004","90","","104.668","0.002","90","","1720.5","0.09","133","2","133","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H50 Br2 Mg2 O8 Si2 -","- C23 H50 Br2 Mg2 O8 Si2 -","- C46 H100 Br4 Mg4 O16 Si4 -","2","1","","Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias","Magnesiacycloalkanes with Different Ring Sizes","Organometallics","2016","35","4","587","","10.1021/acs.organomet.5b01010","","","0.71073","MoKα","","0.0434","0.0386","","","0.0839","0.0881","","","","","","1.088","","","","has coordinates,has disorder","237468","2020-10-21","18:00:00",""
"4088424","10.2806","0.0006","11.8219","0.0007","15.4868","0.001","90","","103.059","0.002","90","","1833.53","0.19","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C38 H66 O Ru2 -","- C38 H42 O Ru2 -","- C76 H84 O2 Ru4 -","2","1","","Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu","Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes","Organometallics","2016","35","10","1446","","10.1021/acs.organomet.6b00070","","","0.71069","MoKα","","0.0283","0.0275","","","0.0703","0.0711","","","","","","1.044","","","","has coordinates,has disorder","237556","2020-10-21","18:00:00",""
"4088998","14.225","0.0007","11.9311","0.0005","15.3276","0.0007","90","","105.716","0.002","90","","2504.1","0.2","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C61 H52 B F10 P -","- C61 H52 B F10 P -","- C122 H104 B2 F20 P2 -","2","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.0505","0.0389","","","0.0796","0.0845","","","","","","1.042","","","","has coordinates","237918","2020-10-21","18:00:00",""
"4089072","10.559","0.005","14.185","0.007","18.025","0.009","90","","104.966","0.012","90","","2608","2","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C48 H54 Cl2 Ge2 N2 P2 -","- C48 H54 Cl2 Ge2 N2 P2 -","- C96 H108 Cl4 Ge4 N4 P4 -","2","1","","Pal, Shiv; Dasgupta, Rajarshi; Khan, Shabana","Acyclic α-Phosphinoamido-Germylene: Synthesis and Characterization","Organometallics","2016","35","20","3635","","10.1021/acs.organomet.6b00689","","","0.71073","MoKα","","0.1151","0.0684","","","0.1315","0.1458","","","","","","0.968","","","","has coordinates","237964","2020-10-21","18:00:00",""
"4089589","10.3886","0.001","37.276","0.003","12.6481","0.0012","90","","93.108","0.002","90","","4890.7","0.8","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54.5 H60 Mo N2 O2 -","- C54.5 H60 Mo N2 O2 -","- C218 H240 Mo4 N8 O8 -","4","2","","Townsend, Erik M.; Kilyanek, Stefan M.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes.","Organometallics","2013","32","16","4612","4617","10.1021/om400584f","","","0.71073","MoKα","","0.061","0.0518","","","0.142","0.1477","","","","","","1.102","","","","has coordinates,has disorder","243692","2020-10-21","18:00:00",""
"4100778","10.599","0.002","9.24","0.0018","18.651","0.004","90","","93.14","0.03","90","","1823.8","0.6","301","2","301","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H50 Cl3 F6 N4 P Ru -","- C32 H50 Cl3 F6 N4 P Ru -","- C64 H100 Cl6 F12 N8 P2 Ru2 -","2","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4101063","13.2422","0.0003","18.9459","0.0007","18.6788","0.0008","90","","110.506","0.0014","90","","4389.3","0.3","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C66 H144 Ge2 Si14 -","- C66 H144 Ge2 Si14 -","- C132 H288 Ge4 Si28 -","2","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057205y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178756","2020-10-21","18:00:00",""
"4102824","8.837","0.0014","21.042","0.003","17.909","0.003","90","","91.485","0.002","90","","3329","0.9","148","2","148","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C72 H104 N2 O Sc4 -","- C72 H104 N2 O Sc4 -","- C144 H208 N4 O2 Sc8 -","2","1","","Selvan Demir; Sara E. Lorenz; Ming Fang; Filipp Furche; Gerd Meyer; Joseph W. Ziller; William J. Evans","Synthesis, Structure, and Density Functional Theory Analysis of a Scandium Dinitrogen Complex, [(C5Me4H)2Sc]2(μ-η2:η2-N2)","Journal of the American Chemical Society","2010","132","","11151","11158","10.1021/ja102681w","","","0.71073","MoKα","","0.1125","0.0675","","","0.1437","0.1647","","","","","","1.012","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4103100","8.4015","0.0005","17.9557","0.001","18.3422","0.001","90","","90.894","0.001","90","","2766.7","0.3","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Thiourea - 1-(4-pyridyl)-2-(phenyl)ethylene (4:4 co-crystal)","","- C56 H60 N12 S4 -","- C56 H60 N12 S4 -","- C112 H120 N24 S8 -","2","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.078","0.0438","","","0.0934","0.1089","","","","","","1.015","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103230","11.3147","0.0006","14.0739","0.0008","12.8472","0.0007","90","","90","0.005","90","","2045.81","0.19","12","2","12","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C41 H34 Cl4 Cr2 Fe N12 -","- C41 H34 Cl4 Cr2 Fe N12 -","- C82 H68 Cl8 Cr4 Fe2 N24 -","2","1","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0242","0.0238","","","0.0576","0.0579","","","","","","1.019","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4103232","11.3859","0.0004","14.1065","0.0004","12.8842","0.0004","90","","89.9967","0.0004","90","","2069.4","0.11","11","2","11","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C41 H34 Cl4 Cr2 Mn N12 -","- C41 H34 Cl4 Cr2 Mn N12 -","- C82 H68 Cl8 Cr4 Mn2 N24 -","2","1","","Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry","Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences","Journal of the American Chemical Society","2010","132","","14261","14272","10.1021/ja106510g","","","0.71073","MoKα","","0.0235","0.023","","","0.0579","0.0583","","","","","","1.057","","","","has coordinates,has disorder","178778","2020-10-21","18:00:00",""
"4104877","12.423","0.003","12.716","0.002","12.478","0.002","90","","114.238","0.019","90","","1797.4","0.7","110","","110","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C44 H20 F8 Fe N5 O3 -","- C44 H20 F8 Fe N5 O3 -","- C88 H40 F16 Fe2 N10 O6 -","2","1","","Mark P. Schopfer; Biplab Mondal; Dong-Heon Lee; Amy A. N. Sarjeant; Kenneth D. Karlin","Heme/O2/.NO Nitric Oxide Dioxygenase (NOD) Reactivity: Phenolic Nitration via a Putative Heme-Peroxynitrite Intermediate","Journal of the American Chemical Society","2009","131","","11304","11305","10.1021/ja904832j","","","0.71073","MoKα","","0.0614","0.0473","","","0.1264","0.1331","","","","","","1.064","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4105048","13.095","0.001","13.9148","0.001","16.7377","0.0012","90","","96.29","0.001","90","","3031.5","0.4","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H57 N O4 -","- C28 H57 N O4 -","- C112 H228 N4 O16 -","4","2","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","0.71073","MoKα","","0.082","0.0678","","","0.1718","0.1852","","","","","","1.027","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105810","11.4076","0.0002","15.005","0.0002","12.8787","0.0002","90","","102.091","0.002","90","","2155.56","0.06","293","","293","","","","","","","","","7","P 1 n 1","P -2yac","7","","Sc{BN2Ar2C2H2}(CH2SiMe3)2(THF)","","- C38 H66 B N2 O Sc Si2 -","- C38 H66 B N2 O Sc Si2 -","- C76 H132 B2 N4 O2 Sc2 Si4 -","2","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","0.71073","MoKα","","0.0714","0.0518","","0.0625","0.0531","0.051","","","","","","1.1107","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106563","10.01","0.01","10.985","0.011","26.28","0.03","90","","90.87","0.012","90","","2889","5","253","2","253","2","","","","","","","","6","P 1 n 1","P -2yac","7","[Ni(PPh2NPhOMe2)2]","","","- C64 H72 N4 Ni O5 P4 -","- C64 H72 N4 Ni O5 P4 -","- C128 H144 N8 Ni2 O10 P8 -","2","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0326","0.0318","","","0.0846","0.0855","","","","","","1.061","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4107826","4.015","0.0008","11.236","0.002","9.332","0.0019","90","","95.66","0.03","90","","418.94","0.14","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H4 Br2 O2 Se -","- C6 H4 Br2 O2 Se -","- C12 H8 Br4 O4 Se2 -","2","1","","Asit Patra; Yair H. Wijsboom; Sanjio S. Zade; Mao Li; Yana Sheynin; Gregory Leitus; Michael Bendikov","Poly(3,4-ethylenedioxyselenophene)","Journal of the American Chemical Society","2008","130","","6734","6736","10.1021/ja8018675","","","0.71073","MoKα","","0.031","0.0291","","","0.0711","0.0719","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108456","10.3587","0.0013","5.9712","0.0007","13.2278","0.0016","90","","103.415","0.002","90","","795.87","0.17","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","(1R,2S,3S,4R)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","(1R,2S,3S,4R)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","","Jarugu Narasimha Moorthy; Subhas Samanta; Apurba L. Koner; Satyajit Saha; Werner M. Nau","Intramolecular O-H...O Hydrogen-Bond-Mediated Reversal in the Partitioning of Conformationally Restricted Triplet 1,4-Biradicals and Amplification of Diastereodifferentiation in Their Lifetimes","Journal of the American Chemical Society","2008","130","","13608","13617","10.1021/ja8032179","","","0.71073","MoKα","","0.0442","0.0384","","","0.0905","0.095","","","","","","1.054","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108676","11.4478","0.0004","26.0793","0.0007","26.0691","0.001","90","","100.872","0.004","90","","7643.2","0.5","","","100","","","","","","","","","2","P 1 n 1","P -2yac","7","alpha-Cd4Sb3","","","- Cd13 Sb10 -","- Cd156 Sb120 -","- Cd156 Sb120 -","1","0.5","","Andreas Tengå; Sven Lidin; Jean-Philippe Belieres; N. Newman; Yang Wu; Ulrich Häussermann","Metastable Cd4Sb3: A Complex Structured Intermetallic Compound with Semiconductor Properties","Journal of the American Chemical Society","2008","130","","15564","15572","10.1021/ja805454p","","","0.71069","MoKα","","0.1734","0.0607","","","0.1367","0.1773","","","","1.82","1.82","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108677","11.4975","0.0005","26.1262","0.001","26.1218","0.001","90","","100.777","0.004","90","","7708.2","0.5","","","295","","","","","","","","","2","P 1 n 1","P -2yac","7","alpha-Cd4Sb3","","","- Cd13 Sb10 -","- Cd150.474 Sb120 -","- Cd150.474 Sb120 -","1","0.5","","Andreas Tengå; Sven Lidin; Jean-Philippe Belieres; N. Newman; Yang Wu; Ulrich Häussermann","Metastable Cd4Sb3: A Complex Structured Intermetallic Compound with Semiconductor Properties","Journal of the American Chemical Society","2008","130","","15564","15572","10.1021/ja805454p","","","0.71073","MoKα","","0.2112","0.0608","","","0.141","0.1856","","","","2","2","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109031","8.9858","0.0015","12.415","0.002","10.8491","0.0018","90","","95.168","0.002","90","","1205.4","0.3","173","2","173","2","","","","","","","synthesis as described","6","P 1 n 1","P -2yac","7","","","","- C18 H33 F I2 Ni P2 -","- C18 H33 F I2 Ni P2 -","- C36 H66 F2 I4 Ni2 P4 -","2","1","","Alana L. Keen; Meghan Doster; Samuel A. Johnson","1,4-Shifts in a Dinuclear Ni(I) Biarylyl Complex: A Mechanistic Study of C-H Bond Activation by Monovalent Nickel","Journal of the American Chemical Society","2007","129","","810","819","10.1021/ja067112w","","x-ray","0.71073","MoKα","","0.0447","0.0361","","","0.0877","0.0979","","","","","","1.099","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4110037","11.8218","0.0006","19.2336","0.0012","12.5458","0.0008","90","","107.123","0.004","90","","2726.2","0.3","160","1","160","1","","","","","","","","2","P 1 n 1","P -2yac","7","","","","- C70 H70 -","- C70 H70 -","- C140 H140 -","2","1","","Tomoharu Hayama; Yao-Ting Wu; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Synthesis, Structure, and Isomerization of Decapentynylcorannulene: Enediyne Cyclization/Interconversion of C40R10 Isomers","Journal of the American Chemical Society","2007","129","","12612","12613","10.1021/ja074403b","","","0.71073","MoKα","","0.0795","0.0592","","","0.1412","0.1569","","","","","","1.044","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110777","10.0707","0.0016","8.8891","0.0015","14.166","0.002","90","","104.192","0.003","90","","1229.4","0.3","173","1","173","1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C25 H20 Cl F3 O3 P2 S -","- C25 H20 Cl F3 O3 P2 S -","- C50 H40 Cl2 F6 O6 P4 S2 -","2","1","","C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken","Acycliccatena-Diphosphinodiphosphonium Dications [R3P-PR'-PR'-PR3]2+ or Bisphosphine-Diphosphenium Complexes [R3P\ρightarrowPR'-PR'\λeftarrowPR3]2+: Synthesis by Reductive P-P Coupling of [R3P-PR'Cl]+ and Phosphine Ligand Exchange","Journal of the American Chemical Society","2006","128","","9632","9633","10.1021/ja062972y","","x-ray","0.71073","MoKα","","0.0311","0.0256","","","0.0602","0.063","","","","","","1.031","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4111088","5.6201","0.0006","5.429","0.0006","7.928","0.0009","90","","101.007","0.002","90","","237.45","0.05","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,3-thiaselenetane-1,1-dioxide","","- C2 H4 O2 S Se -","- C2 H4 O2 S Se -","- C4 H8 O4 S2 Se2 -","2","1","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0406","0.0399","","","0.1015","0.1022","","","","","","1.031","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111839","5.599","0.001","7.971","0.002","7.7","0.002","90","","110.02","0.01","90","","322.88","0.13","105","2","105","2","","","","","","","","4","P 1 n 1","P -2yac","7","5A2MP","5-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C14 H18 N2 O2 -","2","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0426","0.0393","","","0.0964","0.0995","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112831","8.132","0.003","7.399","0.002","14.431","0.003","90","","101.49","0.02","90","","850.9","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","1-Benzyl-3-(2-thioxothiazolidine-3-carbonyl)pyridinium bromide","","- C16 H15 Br N2 O S2 -","- C16 H15 Br N2 O S2 -","- C32 H30 Br2 N4 O2 S4 -","2","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0239","0.0235","","0.0888","0.084","","","","1.476","1.45","1.45","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4113802","8.7931","0.0018","7.4466","0.0015","10.799","0.002","90","","104.106","0.003","90","","685.8","0.2","183","2","183","2","","","","","","","","4","P 1 n 1","P -2yac","7","endo-phenyl-pyrrole","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","","Dongwhan Lee; Timothy M. Swager","Defining Space around Conducting Polymers: Reversible Protonic Doping of a Canopied Polypyrrole","Journal of the American Chemical Society","2003","125","","6870","6871","10.1021/ja034894+","","","0.71073","MoKα","","0.0544","0.0519","","","0.1201","0.1214","","","","","","1.184","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4115066","10.364","0.002","9.406","0.005","15.504","0.003","90","","107.08","0.02","90","","1444.7","0.9","113.2","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C39 H36 N4 -","- C39 H36 N4 -","- C78 H72 N8 -","2","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0434","","","","0.1192","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115197","13.986","0.001","11.69","0.001","19.815","0.002","90","","97.94","0.01","90","","3208.6","0.5","173","1","173","1","","","","","","","Synthesized in the laboratory of F. Ladipo","5","P 1 n 1","P -2yac","7","","","","- C72 H94 O5 Si Ti -","- C72 H94 O5 Si Ti -","- C144 H188 O10 Si2 Ti2 -","2","1","","Jesudoss V. Kingston; Oleg V. Ozerov; Sean Parkin; Carolyn P. Brock; Folami T. Ladipo","Mechanistic Insight into Fragmentation Reactions of Titanapinacolate Complexes","Journal of the American Chemical Society","2002","124","","12217","12224","10.1021/ja0271577","","","0.71073","MoKα","","0.053","0.047","","","0.109","0.113","","","","","","1.08","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115240","12.354","0.003","14.255","0.004","18.387","0.005","90","","96.553","0.005","90","","3216.9","1.5","293","2","293","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C32 H60 F12 N6 O24 P4 Ru2 S6 -","- C32 H60 F12 N6 O24 P4 Ru2 S6 -","- C64 H120 F24 N12 O48 P8 Ru4 S12 -","2","1","","Kazuko Matsumoto; Yoshihiro Moriya; Hiroyasu Sugiyama; Md. Munkir Hossain; Yong-Shou Lin","Dehydration Reaction of Hydroxyl Substituted Alkenes and Alkynes on the Ru2S2 Complex","Journal of the American Chemical Society","2002","124","","13106","13113","10.1021/ja020660z","","","0.71073","MoKα","","0.0882","0.0684","","","0.182","0.2029","","","","","","0.992","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115513","7.4697","0.0008","26.627","0.003","11.8358","0.0012","90","","92.1","0.002","90","","2352.5","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","bis(guanidinium) 2,6-anthracenedisulfonate, biphenyl clathrate","","","- C52 H50 N6 O6 S2 -","- C52 H50 N6 O6 S2 -","- C104 H100 N12 O12 S4 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0924","0.0457","","","0.0702","0.0785","","","","","","0.812","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115823","14.2058","0.0003","9.992","0.0003","14.4406","0.0003","90","","102.674","0.001","90","","1999.82","0.08","200","1","200","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C38 H32 F12 Mn N2 O4 -","- C38 H32 F12 Mn N2 O4 -","- C76 H64 F24 Mn2 N4 O8 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0763","0.0497","","","0.1078","0.1208","","","","","","1.055","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4115997","13.45","0.002","8.1261","0.0008","13.478","0.002","90","","109.43","0.02","90","","1389.2","0.4","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C6 H15 Cl Fe N6 O9 -","- C6 H15 Cl Fe N6 O9 -","- C24 H60 Cl4 Fe4 N24 O36 -","4","2","","Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy","Journal of the American Chemical Society","2000","122","","4352","4365","10.1021/ja994161i","","","0.71073","MoKα","","0.0746","0.0462","","0.1207","0.108","","","","0.991","1.132","1.132","","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4116062","11.176","0.002","13.92","0.002","12.74","0.002","90","","90.056","0.009","90","","1982","0.6","109","2","109","2","","","","","","","synthesis","5","P 1 n 1","P -2yac","7","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang","Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State","Journal of the American Chemical Society","2000","122","","6226","6236","10.1021/ja000515q","","","0.71073","MOKα","","0.0327","0.0311","","0.0804","0.0794","","","","1.097","1.094","1.094","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116609","11.1593","0.0004","11.2873","0.0004","25.7805","0.0007","90","","92.901","0.002","90","","3243.11","0.19","153","2","153","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C70 H95 F N6 O6 -","- C70 H95 F N6 O6 -","- C140 H190 F2 N12 O12 -","2","1","","Pavel Anzenbacher; Karolina Jursíková; Vincent M. Lynch; Philip A. Gale; Jonathan L. Sessler","Calix[4]pyrroles Containing Deep Cavities and Fixed Walls. Synthesis, Structural Studies, and Anion Binding Properties of the Isomeric Products Derived from the Condensation of p-Hydroxyacetophenone and Pyrrole","Journal of the American Chemical Society","1999","121","","11020","11021","10.1021/ja993195n","","","0.71073","MoKα","","0.1389","0.0785","","0.1751","0.1492","","","","1.063","1.152","1.152","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4117889","10.9592","0.0004","14.1496","0.0005","12.5713","0.0004","90","","91.137","0.002","90","","1949.03","0.12","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H20 Cl3 N2 Nb O2 -","- C16 H20 Cl3 N2 Nb O2 -","- C64 H80 Cl12 N8 Nb4 O8 -","4","2","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0353","0.029","","","0.0421","0.0427","","","","","","1.369","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118677","9.176","0.007","15.954","0.012","10.588","0.008","90","","111.099","0.015","90","","1446.1","1.9","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H46 N3 Si4 Ti -","- C23 H46 N3 Si4 Ti -","- C46 H92 N6 Si8 Ti2 -","2","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0344","0.0287","","","0.0655","0.0678","","","","","","1.012","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4119382","12.084","0.006","17.047","0.008","12.463","0.006","90","","92.255","0.01","90","","2565","2","123","2","123","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C61 H58 B O2 P3 Pd Si -","- C61 H58 B O2 P3 Pd Si -","- C122 H116 B2 O4 P6 Pd2 Si2 -","2","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71073","MoKα","","0.1624","0.0963","","","0.2185","0.2625","","","","","","0.995","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4120234","30.69","0.003","6.5952","0.0006","12.824","0.0009","90","","91.558","0.006","90","","2594.7","0.4","","","300","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 I6 N12 S3 Zn3 -","- C36 I6 N12 S3 Zn3 -","- C72 I12 N24 S6 Zn6 -","2","1","","Hiroyoshi Ohtsu; Wanuk Choi; Nazrul Islam; Yoshitaka Matsushita; Masaki Kawano","Selective Trapping of Labile S3 in a Porous Coordination Network and the Direct X-ray Observation","Journal of the American Chemical Society","2013","135","","11449","11452","10.1021/ja4046718","powder diffraction","","0.65297","synchrotron","","","0.029","","","0.0351","","","","","","","","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4121438","23.054","0.0005","47.6698","0.0016","23.0934","0.0005","90","","90.249","0.002","90","","25378.9","1.2","120","2","120","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C416 H646 Au3 B0 Cu8 F56 N74 O38 Sb7 -","- C188 H152 Au3 Cu8 N36 -","- C376 H304 Au6 Cu16 N72 -","2","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.1538","0.1457","","","0.3618","0.3709","","","","","","1.595","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121773","8.9323","0.001","7.2047","0.0008","11.5363","0.0013","90","","98.516","0.004","90","","734.23","0.14","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Yu, Zhunzhun; Ma, Ben; Chen, Mingjin; Wu, Hai-Hong; Liu, Lu; Zhang, Junliang","Highly Site-Selective Direct C-H Bond Functionalization of Phenols with α-Aryl-α-diazoacetates and Diazooxindoles via Gold Catalysis.","Journal of the American Chemical Society","2014","136","19","6904","6907","10.1021/ja503163k","","","0.71073","MoKα","","0.0846","0.0466","","","0.1054","0.124","","","","","","1.01","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4122387","10.14297","0.00019","15.8652","0.0003","15.3256","0.0003","90","","93.3717","0.0017","90","","2461.93","0.08","173","","173","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C61 H45 Cl N2 O P2 Ru S -","- C61 H45 Cl N2 O P2 Ru S -","- C122 H90 Cl2 N4 O2 P4 Ru2 S2 -","2","1","","Moragues, María E; Toscani, Anita; Sancenón, Félix; Mart\?ínez-Máñez, Ramón; White, Andrew J. P.; Wilton-Ely, James D E T","A Chromo-Fluorogenic Synthetic ""Canary"" for CO Detection Based on a Pyrenylvinyl Ruthenium(II) Complex.","Journal of the American Chemical Society","2014","136","34","11930","11933","10.1021/ja507014a","","","0.71073","MoKα","","0.0372","0.0289","","","0.056","0.0583","","","","","","1.032","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4123646","12.2709","0.0007","14.4105","0.0007","20.9053","0.0009","90","","101.099","0.001","90","","3627.5","0.3","198","2","198","2","","","","","","","","6","P 1 n 1","P -2yac","7","jg04apr13","","","- C48 H118 Li6 N12 O10 P4 -","- C48 H118 Li6 N12 O10 P4 -","- C96 H236 Li12 N24 O20 P8 -","2","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.0699","0.054","","","0.1521","0.1661","","","","","","1.015","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4124587","13.0148","0.0002","13.3323","0.0003","24.1738","0.0005","90","","99.8845","0.001","90","","4132.31","0.14","150","","150","","","","","","","","","7","P 1 n 1","P -2yac","7","","[Ca{Fe(CO)4}(HMPA)3(THF)] x","","- C26 H62 Ca Fe N9 O8 P3 -","- C26 H62 Ca Fe N9 O8 P3 -","- C104 H248 Ca4 Fe4 N36 O32 P12 -","4","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.125","0.0672","","0.0558","0.0312","0.0275","","","","","","1.1048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124908","9.51433","0.00007","30.7713","0.0003","14.62555","0.00016","90","","91.4555","0.0007","90","","4280.52","0.07","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H46 B2 Cl2 Fe N8 O8 -","- C32 H46 B2 Cl2 Fe N8 O8 -","- C128 H184 B8 Cl8 Fe4 N32 O32 -","4","2","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.715","synchrotron","","0.0547","0.0544","","","0.1484","0.149","","","","","","1.039","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4125080","9.667","0.003","11.589","0.004","14.115","0.004","90","","96.22","0.005","90","","1572","0.9","93","2","93","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H45 B2 N O2 -","- C34 H45 B2 N O2 -","- C68 H90 B4 N2 O4 -","2","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0659","0.0471","","","0.0963","0.106","","","","","","0.946","","","","has coordinates,has disorder","183569","2020-10-21","18:00:00",""
"4125262","12.8854","0.0001","16.5136","0.0001","26.1896","0.0002","90","","98.5587","0.0007","90","","5510.68","0.07","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C58 H92 F N5 O2 -","- C58 H92 F N5 O2 -","- C232 H368 F4 N20 O8 -","4","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5419","CuKα","","0.0586","0.0558","","0.1691","0.1654","0.1689","","","","","","0.9959","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125691","6.2528","0.0004","12.5234","0.0008","10.2768","0.0006","90","","91.269","0.002","90","","804.54","0.09","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","Nickel Pyridine carboxylate","'Nickel Pyridine carboxylate'","","- C15 H15 N3 Ni O5 -","- C15 H15 N3 Ni O5 -","- C30 H30 N6 Ni2 O10 -","2","1","","Nandi, Shyamapada; Collins, Sean; Chakraborty, Debanjan; Banerjee, Debasis; Thallapally, Praveen K.; Woo, Tom K.; Vaidhyanathan, Ramanathan","Ultralow Parasitic Energy for Postcombustion CO2 Capture Realized in a Nickel Isonicotinate Metal-Organic Framework with Excellent Moisture Stability.","Journal of the American Chemical Society","2017","139","5","1734","1737","10.1021/jacs.6b10455","","","1.54178","CuKα","","0.038","0.0379","","","0.1032","0.1033","","","","","","1.055","","","","has coordinates","193088","2020-10-21","18:00:00",""
"4125827","10.385","0.003","19.96","0.005","10.896","0.003","90","","90.114","0.006","90","","2258.6","1.1","93.15","","93","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C28 H28 B2 -","- C28 H28 B2 -","- C112 H112 B8 -","4","2","","Tsukahara, Nana; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4).","Journal of the American Chemical Society","2017","139","7","2593","2596","10.1021/jacs.7b00924","","","0.71075","MoKα","","0.132","0.0831","","","0.1813","0.2136","","","","","","1.012","","","","has coordinates","193183","2020-10-21","18:00:00",""
"4126563","12.834","0.003","24.28","0.006","15.784","0.004","90","","101.85","0.003","90","","4814","2","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","mu-(4-(4'-pyridyl)-1,2,3,5-dithiadiazolyl)-(5,10,15,20-tetraphenylporphyrinato) cobalt(II)","","","- C56.84 H45.68 Co N7 O1.71 S2 -","- C56.838 H45.676 Co N7 O1.7095 S2 -","- C227.352 H182.704 Co4 N28 O6.838 S8 -","4","2","","Haynes, Delia A.; van Laeren, Laura J.; Munro, Orde Q.","Cobalt Porphyrin-Thiazyl Radical Coordination Polymers: Toward Metal-Organic Electronics.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07803","","","0.71073","MoKα","","0.1236","0.0639","","","0.1142","0.1368","","","","","","1.008","","","","has coordinates","201784","2020-10-21","18:00:00",""
"4126601","14.14437","0.00018","10.66001","0.0001","14.34156","0.00018","90","","115.551","0.0016","90","","1950.93","0.05","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H15 Br N2 O8 -","- C23 H15 Br N2 O8 -","- C92 H60 Br4 N8 O32 -","4","2","","Guan, Liangyu; Holl, Maxwell Gargiulo; Pitts, Cody Ross; Struble, Mark D.; Siegler, Maxime A.; Lectka, Thomas","Through-Space Activation Can Override Substituent Effects in Electrophilic Aromatic Substitution.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09792","","","1.54178","CuKα","","0.0335","0.032","","","0.0889","0.0903","","","","","","1.059","","","","has coordinates,has disorder","202064","2020-10-21","18:00:00",""
"4127098","6.67174","0.00013","39.4337","0.001","7.0432","0.0002","90","","99.304","0.003","90","","1828.63","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","2","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.0461","0.0398","","","0.0992","0.1032","","","","","","1.003","","","","has coordinates","205787","2020-10-21","18:00:00",""
"4127721","9.1223","0.0013","8.7787","0.0012","19.83","0.004","90","","90.103","0.013","90","","1588","0.4","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","2","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1616","0.1219","","","0.132","0.1346","","","","7.17","7.17","6.19","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127725","12.3348","0.0012","10.5038","0.0007","12.3423","0.0012","90","","90.002","0.008","90","","1599.1","0.2","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","2","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0705","0.0616","","","0.0691","0.0694","","","","4.06","4.06","3.85","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127985","8.6478","0.0003","23.7341","0.0008","12.8671","0.0004","90","","95.869","0.002","90","","2627.1","0.15","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H42 Br N O4 S -","- C23 H42 Br N O4 S -","- C92 H168 Br4 N4 O16 S4 -","4","2","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.0713","0.0562","","","0.1272","0.1367","","","","","","1.02","","","","has coordinates","221127","2020-10-21","18:00:00",""
"4128821","16.03406","0.00016","5.88869","0.00005","18.24264","0.00014","90","","91.1868","0.0008","90","","1722.09","0.03","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C35 H49 N O8 -","- C35 H49 N O8 -","- C70 H98 N2 O16 -","2","1","","Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina","Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights.","Journal of the American Chemical Society","2019","141","35","13812","13821","10.1021/jacs.9b02973","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0755","0.0766","","","","","","1.034","","","","has coordinates,has disorder","221886","2020-10-21","18:00:00",""
"4130234","10.937","0.004","20.247","0.007","16.033","0.006","90","","92.007","0.007","90","","3548","2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C36 H54 Si2 U -","- C36 H54 Si2 U -","- C144 H216 Si8 U4 -","4","2","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0561","0.0433","","","0.0757","0.0812","","","","","","0.968","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130419","10.7563","0.0008","11.5192","0.0008","17.1433","0.0012","90","","91.448","0.002","90","","2123.4","0.3","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C49 H68 N O5 P Pd S -","- C49 H68 N O5 P Pd S -","- C98 H136 N2 O10 P2 Pd2 S2 -","2","1","","Chen, Liye; Ren, Peng; Carrow, Brad P.","Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds.","Journal of the American Chemical Society","2016","138","20","6392","6395","10.1021/jacs.6b03215","","","0.71073","MoKα","","0.0267","0.0239","","","0.0545","0.0556","","","","","","1.0309","","","","has coordinates","240858","2020-10-21","18:00:00",""
"4130618","12.5594","0.0004","17.4038","0.0005","20.1905","0.0006","90","","102.08","0.003","90","","4315.5","0.2","150","2","150.15","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C89 H89 B F24 N4 O Ru Zn -","- C89 H89 B F24 N4 O Ru Zn -","- C178 H178 B2 F48 N8 O2 Ru2 Zn2 -","2","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","0.71073","MoKα","","0.0533","0.042","","","0.074","0.0783","","","","","","1.026","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130795","11.5021","0.0009","17.8327","0.0013","12.9451","0.0011","90","","90.026","0.005","90","","2655.2","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C30 H40 N4 Ni O -","- C30 H40 N4 Ni O -","- C120 H160 N16 Ni4 O4 -","4","2","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0587","0.0508","","","0.1253","0.1316","","","","","","1.041","","","","has coordinates","241161","2020-10-21","18:00:00",""
"4130869","7.2433","0.0016","20.504","0.004","27.708","0.005","90","","90","","90","","4115.1","1.4","150.01","0.11","150.01","0.11","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H14 B2 N2 O8 S2 -","- C28 H14 B2 N2 O8 S2 -","- C112 H56 B8 N8 O32 S8 -","4","2","","Carrillo, Josue Ayuso; Turner, Michael L.; Ingleson, Michael J.","A General Protocol for the Polycondensation of Thienyl N-Methyliminodiacetic Acid Boronate Esters To Form High Molecular Weight Copolymers.","Journal of the American Chemical Society","2016","138","40","13361","13368","10.1021/jacs.6b07666","","x-ray","0.71073","MoKα","","0.3032","0.139","","","0.3127","0.4249","","","","","","0.962","","","","has coordinates","241227","2020-10-21","18:00:00",""
"4131163","9.8233","0.0003","24.3526","0.001","13.3575","0.0004","90","","107.704","0.002","90","","3044.09","0.18","193","2","193","2","","","","","","","","5","P 1 n 1","P -2yac","7","","4-(6,11-dibromo-1,4-diphenyl-3-(thiophen-3-yl)triphenylen-2-yl)pyridine","","- C39 H23 Br2 N S -","- C39 H23 Br2 N S -","- C156 H92 Br8 N4 S4 -","4","2","","Chen, Zongping; Zhang, Wen; Palma, Carlos-Andres; Lodi Rizzini, Alberto; Liu, Bilu; Abbas, Ahmad; Richter, Nils; Martini, Leonardo; Wang, Xiao-Ye; Cavani, Nicola; Lu, Hao; Mishra, Neeraj; Coletti, Camilla; Berger, Reinhard; Klappenberger, Florian; Kläui, Mathias; Candini, Andrea; Affronte, Marco; Zhou, Chongwu; De Renzi, Valentina; Del Pennino, Umberto; Barth, Johannes V.; Räder, Hans Joachim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","Synthesis of Graphene Nanoribbons by Ambient-Pressure Chemical Vapor Deposition and Device Integration.","Journal of the American Chemical Society","2016","138","47","15488","15496","10.1021/jacs.6b10374","","","0.71073","MoKα","","0.0737","0.0467","","","0.0982","0.1276","","","","","","1.056","","","","has coordinates,has disorder","241443","2020-10-21","18:00:00",""
"4131280","12.3678","0.0018","13.938","0.002","36.575","0.006","90","","93.498","0.007","90","","6293.1","1.6","173","2","173","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C112 H202 Al2 Co2 Li2 N8 O12 P6 -","- C112 H202 Al2 Co2 Li2 N8 O12 P6 -","- C224 H404 Al4 Co4 Li4 N16 O24 P12 -","2","1","","Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.","Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.","Journal of the American Chemical Society","2017","139","19","6570","6573","10.1021/jacs.7b02870","","","0.71073","MoKα","","0.0817","0.0624","","","0.1445","0.1543","","","","","","1.07","","","","has coordinates","241514","2020-10-21","18:00:00",""
"4132004","4.7391","0.0005","12.8346","0.0014","14.2014","0.0016","90","","96.2262","0.0013","90","","858.7","0.16","88","2","88","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Tao, Daniel J.; Slutskyy, Yuriy; Muuronen, Mikko; Le, Alexander; Kohler, Philipp; Overman, Larry E.","Total Synthesis of (-)-Chromodorolide B By a Computationally-Guided Radical Addition/Cyclization/Fragmentation Cascade.","Journal of the American Chemical Society","2018","140","8","3091","3102","10.1021/jacs.7b13799","","","0.71073","MoKα","","0.036","0.0336","","","0.0843","0.0863","","","","","","1.038","","","","has coordinates","242047","2020-10-21","18:00:00",""
"4133332","8.9219","0.001","5.6293","0.0007","17.187","0.002","90","","103.268","0.004","90","","840.16","0.17","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.71073","MoKα","","0.054","0.0431","","","0.1028","0.1086","","","","","","1.049","","","","has coordinates","243153","2020-10-21","18:00:00",""
"4133556","10.729","0.002","20.345","0.004","16.436","0.003","90","","90.71","0.03","90","","3587.4","1.2","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H45 Li N8 Si0.97 -","- C36 H45 Li N8 Si0.9685 -","- C144 H180 Li4 N32 Si3.874 -","4","2","","Ebner, Fabian; Greb, Lutz","Calix[4]pyrrole Hydridosilicate: The Elusive Planar Tetracoordinate Silicon Imparts Striking Stability to Its Anionic Silicon Hydride.","Journal of the American Chemical Society","2018","140","50","17409","17412","10.1021/jacs.8b11137","","","0.71073","MoKα","","0.1132","0.0543","","","0.0968","0.1157","","","","","","1.006","","","","has coordinates,has disorder","243313","2020-10-21","18:00:00",""
"4133598","8.16835","0.00013","12.1102","0.0002","32.7192","0.0006","90","","91.3026","0.0016","90","","3235.76","0.1","123","","123","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C41 H40 O S -","- C41 H40 O S -","- C164 H160 O4 S4 -","4","2","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","0.0769","0.0751","","","0.2168","0.219","","","","","","1.047","","","","has coordinates,has disorder","243353","2020-10-21","18:00:00",""
"4133631","9.4406","0.0002","11.4272","0.0003","20.2122","0.0005","90","","97.538","0.002","90","","2161.64","0.09","100","2","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","2","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","1.54178","CuKα","","0.0424","0.0373","","","0.0935","0.0969","","","","","","1.036","","","","has coordinates","243370","2020-10-21","18:00:00",""
"4135303","19.802","0.003","16.26","0.002","23.261","0.002","90","","107.91","0.008","90","","7126.6","1.6","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(hapto-3-(1-(methoxycyclohexyl)-hex-5-ene-2-ylidenyl))- (hapto-5-pentamethylcyclopentadienyl)-chloro-ruthenium(ii)","","- C25 H41 Cl O Ru -","- C25 H41 Cl O Ru -","- C300 H492 Cl12 O12 Ru12 -","12","6","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","MoKα","","0.1196","0.0809","","","0.1991","0.2286","","","","","","1.061","","","","has coordinates,has disorder","258710","2020-11-04","01:23:34",""
"4135407","8.788","0.0003","5.9866","0.0002","9.2245","0.0003","90","","90.03","0.003","90","","485.3","0.03","93","2","93","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0266","0.0256","","","0.0611","0.0618","","","","","","1","","","","has coordinates","260427","2021-01-04","03:13:18",""
"4135408","8.8349","0.0002","6.0723","0.0001","9.3144","0.0002","90","","90.03","","90","","499.7","0.018","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0371","0.0367","","","0.094","0.0944","","","","","","1.002","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4135409","8.8138","0.0002","6.0127","0.0001","9.259","0.0002","90","","90.03","0.003","90","","490.678","0.017","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H13 F N O4 Re -","- C7 H13 F N O4 Re -","- C14 H26 F2 N2 O8 Re2 -","2","1","","Tang, Yuan-Yuan; Xie, Yongfa; Ai, Yong; Liao, Wei-Qiang; Li, Peng-Fei; Nakamura, Takayoshi; Xiong, Ren-Gen","Organic Ferroelectric Vortex-Antivortex Domain Structure.","Journal of the American Chemical Society","2020","142","52","21932","21937","10.1021/jacs.0c11416","","","0.71073","MoKα","","0.0312","0.031","","","0.0749","0.0751","","","","","","1.001","","","","has coordinates","260427","2021-01-04","03:13:19",""
"4301402","9.76","0.001","11.932","0.001","15.511","0.002","90","","94.896","0.002","90","","1799.8","0.3","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,2-Bis(1,3-di-tert-butyl-4-tert-butylamino[1,3,2,4] diazadiphosphetidin-2-oxy)ethane","","- C26 H60 N6 O2 P4 -","- C26 H60 N6 O2 P4 -","- C52 H120 N12 O4 P8 -","2","1","","Maravanji S. Balakrishna; Ramalingam Venkateswaran; Joel T. Mague","An Acyclic Dimer of Cyclodiphosphazane {tBuHN(tBuNP)2OCH2}2 Containing Alkoxo and Amido Functionalities: Synthesis, Derivatization, Bi- (PdII, RhI), and Tetranuclear (PdII, AuI, RhIAuI) Transition Metal Complexes","Inorganic Chemistry","2009","48","","1398","1406","10.1021/ic801256h","","","0.71073","MoKα","","0.042","0.0388","","","0.0896","0.0915","","","","","","1.029","","","","has coordinates,has disorder","179052","2020-10-21","18:00:00",""
"4303253","24.1134","0.0006","19.5324","0.0005","25.0854","0.0006","90","","100.015","0.001","90","","11635","0.5","120","","293","","","","","","","","?","3","P 1 n 1","P -2yac","7","","","","- Mo3 O22.5 P6 -","- Mo3 O22.5 P6 -","- Mo84 O630 P168 -","28","14","","Sarah E. Lister; Ivana Radosavljević Evans; John S. O. Evans","Complex Superstructures of Mo2P4O15","Inorganic Chemistry","2009","48","","9271","9281","10.1021/ic901090p","","","0.71073","MoKα","","0.0403","0.0349","","0.0634","0.0599","0.0599","","","","","","0.8626","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303254","24.133","0.002","19.5793","0.0018","25.109","0.002","90","","99.962","0.003","90","","11685.3","1.7","293","","293","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Mo2 O15 P4 -","- Mo2 O15 P4 -","- Mo84 O630 P168 -","42","21","","Sarah E. Lister; Ivana Radosavljević Evans; John S. O. Evans","Complex Superstructures of Mo2P4O15","Inorganic Chemistry","2009","48","","9271","9281","10.1021/ic901090p","","","0.71073","MoKα","","0.1716","0.0325","","0.104","0.0826","0.0826","","","","","","0.7905","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303255","24.1291","0.001","19.5817","0.0008","25.1108","0.001","90","","99.978","0.001","90","","11685.1","0.8","293","","293","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Mo3 O22.5 P6 -","- Mo3 O22.5 P6 -","- Mo84 O630 P168 -","28","14","","Sarah E. Lister; Ivana Radosavljević Evans; John S. O. Evans","Complex Superstructures of Mo2P4O15","Inorganic Chemistry","2009","48","","9271","9281","10.1021/ic901090p","","","0.71073","MoKα","","0.0653","0.0508","","0.1296","0.1234","0.1149","","","","","","0.988","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4304699","4.5616","0.0007","37.891","0.005","7.9858","0.0011","90","","101.373","0.002","90","","1353.2","0.3","90","","90","","","","","","","","","4","P 1 n 1","P -2yac","7","H4[bis(salamo)]","","","- C28 H30 N4 O10 -","- C28 H30 N4 O10 -","- C56 H60 N8 O20 -","2","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Acyclic Bis(N2O2 chelate) Ligand for Trinuclear d-Block Homo- and Heterometal Complexes","Inorganic Chemistry","2008","47","","3255","3264","10.1021/ic702255s","","","0.71069","MoKα","","0.1053","0.0623","","","0.1081","0.1266","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4305138","11.4057","0.0009","4.5668","0.0004","18.9688","0.0014","90","","90.01","0.001","90","","988.04","0.14","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C48 H42 N6 O6 -","2","1","","Yunjun Wu; Shaowu Wang; Xiancui Zhu; Gaosheng Yang; Yun Wei; Lijun Zhang; Hai-bin Song","Synthesis, Characterization, and Catalytic Activity of Rare Earth Metal Amides Supported by a Diamido Ligand with a CH2SiMe2 Link","Inorganic Chemistry","2008","47","","5503","5511","10.1021/ic800496d","","","0.71073","MoKα","","0.031","0.0287","","","0.0778","0.0797","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4305803","5.6312","0.0007","6.9583","0.0008","22.768","0.003","90","","90.024","0.002","90","","892.13","0.19","130","2","130","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C13 H14 Ag F3 N2 O7 S -","- C13 H14 Ag F3 N2 O7 S -","- C26 H28 Ag2 F6 N4 O14 S2 -","2","1","","Malgorzata Kondracka; Ulli Englert","Bimetallic Coordination Polymers via Combination of Substitution-Inert Building Blocks and Labile Connectors","Inorganic Chemistry","2008","47","","10246","10257","10.1021/ic800748f","","","0.71073","MoKα","","0.0306","0.0304","","","0.0797","0.0799","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306685","6.689","0.003","12.867","0.005","9.599","0.004","90","","91.052","0.006","90","","826","0.6","193","2","193","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C13 H25 Cl P2 Ta -","- C13 H25 Cl P2 Ta -","- C26 H50 Cl2 P4 Ta2 -","2","1","","Wontae Noh; Gregory S. Girolami","Mono(cycloheptatrienyl) Tantalum Chemistry: Synthesis and Characterization of New Tantalum Halide, Hydride, and Alkyl Species","Inorganic Chemistry","2008","47","","10682","10691","10.1021/ic8015035","","","0.71073","MoKα","","0.1231","0.0901","","","0.2096","0.2267","","","","","","0.974","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4307042","9.3927","0.0017","8.9618","0.0016","11.08","0.002","90","","95.567","0.003","90","","928.3","0.3","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C17 H20 Cd N4 O5 -","- C17 H20 Cd N4 O5 -","- C34 H40 Cd2 N8 O10 -","2","1","","Biing-Chiau Tzeng; Yung-Chi Huang; Bo-So Chen; Wan-Min Wu; Shih-Yang Lee; Gene-Hsiang Lee; Shie-Ming Peng","Crystal-Engineering Studies of Coordination Polymers and a Molecular-Looped Complex Containing Dipyridyl-Amide Ligands","Inorganic Chemistry","2007","46","","186","195","10.1021/ic061528t","","","0.71073","MoKα","","0.0381","0.0301","","","0.0569","0.0595","","","","","","0.991","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4307344","7.2674","0.0005","13.274","0.0009","8.2674","0.0005","90","","90.018","0.001","90","","797.54","0.09","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","acetonitriledichloroiron(II)","","- C10 H23 Cl3 Co N2 -","- C10 H23 Cl3 Co N2 -","- C20 H46 Cl6 Co2 N4 -","2","1","","Konstantin I. Pokhodnya; Michael Bonner; Antonio G. DiPasquale; Arnold L. Rheingold; Jae-Hyuk Her; Peter W. Stephens; Jong-Won Park; Bretni S. Kennon; Atta M. Arif; Joel S. Miller","Structural and Magnetic Properties of MCl2 (M = Fe, Mn, Co): Acetonitrile Solvates","Inorganic Chemistry","2007","46","","2471","2477","10.1021/ic061877n","","","0.71073","MoKα","","0.0473","0.0443","","","0.1145","0.1179","","","","","","1.015","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4308265","18.4773","0.0006","7.941","0.0003","22.4534","0.0007","90","","98.494","0.002","90","","3258.41","0.19","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","CoHA-BPDS-DMSO","","","- C40 H82 Co2 N12 O25 S8 -","- C40 H72 Co2 N12 O25 S8 -","- C80 H144 Co4 N24 O50 S16 -","2","1","","Xin-Yi Wang; Rachelle Justice; Slavi C. Sevov","Hydrogen-Bonded Metal-Complex Sulfonate (MCS) Inclusion Compounds: Effect of the Guest Molecule on the Host Framework","Inorganic Chemistry","2007","46","","4626","4631","10.1021/ic070324p","","","0.71073","MoKα","","0.048","0.046","","","0.1362","0.1415","","","","","","1.158","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4309056","11.5499","0.0006","17.5305","0.0008","21.7842","0.001","90","","100.877","0.001","90","","4331.5","0.4","296","2","296","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C69.2 H61 Ca2 Cl12 N16 Nb6 O7 -","- C69.184 H60.368 Ca2 Cl12 N16 Nb6 O7 -","- C138.368 H120.736 Ca4 Cl24 N32 Nb12 O14 -","2","1","","Zhihua Yan; Cynthia S. Day; Abdessadek Lachgar","The First Coordination Polymers and Hydrogen Bonded Networks Containing Octahedral Nb6 Clusters and Alkaline Earth Metal Complexes","Inorganic Chemistry","2005","44","","4499","4505","10.1021/ic048453i","","","0.71073","MoKα","","0.0696","0.0484","","","0.1062","0.1162","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309077","12.6654","0.001","7.678","0.0006","15.3752","0.0013","90","","99.593","0.002","90","","1474.3","0.2","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-{hydrotris(3-isopropylpyrazol-1-yl)borato}- (2-naphtholato)dioxomolybdenum(VI)","","- C28 H35 B Mo N6 O3 -","- C28 H35 B Mo N6 O3 -","- C56 H70 B2 Mo2 N12 O6 -","2","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.0526","0.0398","","","0.0779","0.0817","","","","","","0.883","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309677","8.1301","0.0005","6.958","0.0005","10.738","0.0007","90","","91.703","0.001","90","","607.17","0.07","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","hydrazine zinc telluride - beta phase","","","- H8 N4 Te Zn -","- H8 N4.5 Te Zn -","- H32 N18 Te4 Zn4 -","4","2","","David B. Mitzi","Polymorphic One-Dimensional (N2H4)2ZnTe: Soluble Precursors for the Formation of Hexagonal or Cubic Zinc Telluride","Inorganic Chemistry","2005","44","","7078","7086","10.1021/ic050833w","","","0.7093","MolybdenumKα","","0.015","0.015","","0.019","0.019","","","","","0.78","0.78","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310023","14.258","0.005","17.936","0.006","22.374","0.008","90","","95.467","0.012","90","","5696","3","293","2","133","","","","","","","","synthetic","6","P 1 n 1","P -2yac","7","","","","- C76 H148 Cr2 Li14 O12 Si12 -","- C76 H128 Cr2 Li14 O12 Si12 -","- C152 H256 Cr4 Li28 O24 Si24 -","2","1","","Louise A. Berben; Jeffrey R. Long","Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters","Inorganic Chemistry","2005","44","","8459","8468","10.1021/ic051551z","","","0.71073","MoKα","","0.082","0.0508","","0.1494","0.1344","","","","0.963","1.072","1.072","","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310082","9.189","0.005","5.402","0.005","26.794","0.005","90","","95.307","0.005","90","","1324.3","1.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 n 1","P -2yac","7","","","","- C20 H28 O2 S8 -","- C20 H27 O2 S8 -","- C40 H54 O4 S16 -","2","1","","Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy","Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate","Inorganic Chemistry","2005","44","","8740","8748","10.1021/ic051017r","","x-ray","0.71069","MoKα","","0.0449","0.0377","","","0.0971","0.1031","","","","","","1.045","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310644","6.4187","0.0004","11.2814","0.0012","10.2144","0.0009","90","","101.998","0.006","90","","723.49","0.11","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H20 Cl3 Co N4 O5 -","- C7 H20 Cl3 Co N4 O5 -","- C14 H40 Cl6 Co2 N8 O10 -","2","1","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0364","0.0314","","","0.0714","0.0738","","","","","","1.05","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310670","7.866","0.005","8.854","0.006","13.619","0.009","90","","95.079","0.011","90","","944.8","1.1","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","Co(ppz2)Cl2","","","- C18 H14 Cl2 Co N4 -","- C18 H14 Cl2 Co N4 -","- C36 H28 Cl4 Co2 N8 -","2","1","","Xiaofan Ren; Bert D. Alleyne; Peter I. Djurovich; Chihaya Adachi; Irina Tsyba; Robert Bau; Mark E. Thompson","Organometallic Complexes as Hole-Transporting Materials in Organic Light-Emitting Diodes","Inorganic Chemistry","2004","43","","1697","1707","10.1021/ic035183f","","","0.71073","MoKα","","0.0255","0.0243","","","0.063","0.0638","","","","","","0.842","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310869","12.2178","0.0008","10.108","0.0007","14.5679","0.001","90","","95.28","0.001","90","","1791.5","0.2","296","2","296","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C25 H12 Cl2 Mn4 Ni2 O14 S4 -","- C25 H12 Cl2 Mn4 Ni2 O14 S4 -","- C50 H24 Cl4 Mn8 Ni4 O28 S8 -","2","1","","Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall","Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se","Inorganic Chemistry","2004","43","","2515","2525","10.1021/ic0354419","","","0.71073","MoKα","","0.0403","0.0349","","","0.0744","0.0768","","","","","","1.036","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4311149","25.299","0.009","11.798","0.005","14.302","0.001","90","","91.28","0.05","90","","4268","2","160","2","160","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C44 H65 Mo N3 O3 -","- C44 H65 Mo N3 O3 -","- C176 H260 Mo4 N12 O12 -","4","2","","Ramkrishna Ramnauth; Salih Al-Juaid; Majid Motevalli; Bernardetta C. Parkin; Alice C. Sullivan","Synthesis, Structure, and Catalytic Oxidation Chemistry from the First Oxo-Imido Schiff Base Metal Complexes","Inorganic Chemistry","2004","43","","4072","4079","10.1021/ic035318h","","","0.71073","MoKα","","0.1234","0.0483","","","0.1144","0.1472","","","","","","1.003","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311242","8.9685","0.0002","5.9917","0.0001","16.3758","0.0004","90","","96.9992","0.0009","90","","873.42","0.03","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C16 H20 Cl2 N2 Te -","- C16 H20 Cl2 N2 Te -","- C32 H40 Cl4 N4 Te2 -","2","1","","Jacqueline M. Ryan; Zhengtao Xu","[C6H5NH(CH3)2]2Te2I10: Secondary I...I Bonds Build up a 3D Network","Inorganic Chemistry","2004","43","","4106","4108","10.1021/ic049443k","","","0.71073","MoKα","","0.0305","0.0265","","","0.0651","0.0684","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311504","8.5245","0.0007","9.0424","0.0007","24.515","0.002","90","","96.641","0.001","90","","1877","0.3","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C24 H48 I5 Nd O6 Zn -","- C24 H48 I5 Nd O6 Zn -","- C48 H96 I10 Nd2 O12 Zn2 -","2","1","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Heterometallic Lanthanide Group 12 Metal Iodides","Inorganic Chemistry","2004","43","","5659","5664","10.1021/ic049560f","","","0.71073","MoKα","","0.0634","0.0499","","","0.0968","0.1019","","","","","","1.022","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311619","8.572","0.003","10.327","0.005","8.874","0.003","90","","103.08","0.02","90","","765.2","0.5","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C3 H18 N9 O8 Ta -","- C3 H18 N9 O8 Ta -","- C6 H36 N18 O16 Ta2 -","2","1","","Daisy Bayot; Bernard Tinant; Michel Devillers","Spectroscopic and Structural Characterizations of Novel Water-Soluble Tetraperoxo and Diperoxo[polyaminocarboxylato bis(N-oxido)]tantalate(V) Complexes","Inorganic Chemistry","2004","43","","5999","6005","10.1021/ic049639k","","","0.71069","MoKα","","0.0349","0.0346","","","0.1019","0.1026","","","","","","1.154","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311627","17.7763","0.0016","14.4071","0.0013","30.088","0.002","90","","96.312","0.002","90","","7659","1.1","173","2","173","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C59 H60 Cl3 Cu3 F18 N14 P3 -","- C59 H60 Cl3 Cu3 F18 N14 P3 -","- C236 H240 Cl12 Cu12 F72 N56 P12 -","4","2","","Baldo Lucchese; Kristi J. Humphreys; Dong-Heon Lee; Christopher D. Incarvito; Roger D. Sommer; Arnold L. Rheingold; Kenneth D. Karlin","Mono-, Bi-, and Trinuclear CuII-Cl Containing Products Based on the Tris(2-pyridylmethyl)amine Chelate Derived from Copper(I) Complex Dechlorination Reactions of Chloroform","Inorganic Chemistry","2004","43","","5987","5998","10.1021/ic0497477","","","0.71073","MoKα","","0.1609","0.1088","","","0.2574","0.2815","","","","","","1.542","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4312632","6.1781","0.0001","11.9491","0.0003","6.9239","0.0002","90","","111.164","0.0011","90","","476.67","0.02","293","2","293","2","","","","","","","?","6","P 1 n 1","P -2yac","7","","","","- C2 H9 Ag2 N2 S3 Sb -","- C2 H9 Ag2 N2 S3 Sb -","- C4 H18 Ag4 N4 S6 Sb2 -","2","1","","Paz Vaqueiro; Ann M. Chippindale; Andrew R. Cowley; Anthony V. Powell","Templated Synthesis of the Novel Layered Silver-Antimony Sulfides [H3NCH2CH2NH2][Ag2SbS3] and [H3NCH2CH2NH2]2[Ag5Sb3S8]","Inorganic Chemistry","2003","42","","7846","7851","10.1021/ic034926u","","","0.71073","MoKα","","","0.0358","","","0.0372","0.0372","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313464","7.8148","0.0007","7.8739","0.0009","11.3349","0.0008","90","","90.376","0.007","90","","697.45","0.11","295","2","298","2","","","","","","","chemical synthesis","3","P 1 n 1","P -2yac","7","","","","- I6 K2 Re -","- I6 K2 Re -","- I12 K4 Re2 -","2","1","","Ricardo González; Raúl Chiozzone; Carlos Kremer; Giovanni De Munno; Francesco Nicolò; Francesc Lloret; Miguel Julve; Juan Faus","Magnetic Studies on Hexaiodorhenate(IV) Salts of Univalent Cations. Spin Canting and Magnetic Ordering in K2[ReI6] with Tc= 24 K","Inorganic Chemistry","2003","42","","2512","2518","10.1021/ic020531j","","","0.71073","MoKα","","","0.068","","","","0.1857","","","","","","1.036","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4314231","13.76106","0.00029","7.72942","0.00017","11.23313","0.00025","90","","104.793","0.0012","90","","1155.21","0.04","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C2 Ge3 N2 O9 Zr -","- C4 Ge6 N4 O18 Zr2 -","- C8 Ge12 N8 O36 Zr4 -","2","1","","Jacques Plévert; Rebeca Sanchez-Smith; Travis M. Gentz; Hailian Li; Thomas L. Groy; Omar M. Yaghi; Michael O'Keeffe","Synthesis and Characterization of Zirconogermanates","Inorganic Chemistry","2003","42","","5954","5959","10.1021/ic034298g","","","","","","","","","","","","","","","","","","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314739","17.3242","0.0003","15.0804","0.0003","17.3223","0.0003","90","","103.51","0.001","90","","4400.33","0.14","153","2","","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C54 N18 O18 Pd3 -","- C54.211 N18.021 O17.921 Pd3 -","- C108.422 N36.042 O35.842 Pd6 -","2","1","","Kazuhiro Uehara; Ko Kasai; Noritaka Mizuno","Synthetic and Computational Studies on Factors Controlling Structures of Molecular Triangles and Squares and Their Equilibrium in Solutions","Inorganic Chemistry","2010","49","","2008","2015","10.1021/ic100011a","","x-ray","0.71069","MoKα","","","0.0848","","","","0.2382","","","","","","1.04","","","","has coordinates,has disorder","179227","2020-10-21","18:00:00",""
"4316233","7.9327","0.001","9.111","0.0011","22.667","0.002","90","","99.465","0.006","90","","1616","0.3","90","0.5","90","0.5","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H44 Br4 Cu2 N6 O -","- C26 H44 Br4 Cu2 N6 O -","- C52 H88 Br8 Cu4 N12 O2 -","2","1","","John S. Mendy; Musabbir A. Saeed; Frank R. Fronczek; Douglas R. Powell; Md. Alamgir Hossain","Anion Recognition and Sensing by a New Macrocyclic Dinuclear Copper(II) Complex: A Selective Receptor for Iodide","Inorganic Chemistry","2010","49","","7223","7225","10.1021/ic100686m","","","0.71073","MoKα","","0.049","0.038","","","0.073","0.077","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317291","15.4423","0.001","10.3485","0.0007","21.2933","0.0014","90","","95.0875","0.001","90","","3389.4","0.4","193","2","193","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C48 H97 Cl3 N P3 Re6 S8 -","- C48 H97 Cl3 N P3 Re6 S8 -","- C96 H194 Cl6 N2 P6 Re12 S16 -","2","1","","Lisa F. Szczepura; David L. Cedeño; Dean B. Johnson; Robert McDonald; Stanley A. Knott; Kristen M. Jeans; Jessica L. Durham","Substitution of the Terminal Chloride Ligands of [Re6S8Cl6]4- with Triethylphosphine: Photophysical and Electrochemical Properties of a New Series of [Re6S8]2+ Based Clusters","Inorganic Chemistry","2010","49","","11386","11394","10.1021/ic101348h","","","0.71073","MoKα","","0.0387","0.0282","","","0.0493","0.0519","","","","","","0.945","","","","has coordinates,has disorder","179252","2020-10-21","18:00:00",""
"4317726","16.008","0.002","16.968","0.002","19.521","0.003","90","","99.147","0.003","90","","5234.9","1.2","193","2","193","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C111 H80 Cl9 Mn2 N6 O6 P4 -","- C111 H77 Cl9 Mn2 N6 O6 P4 -","- C222 H154 Cl18 Mn4 N12 O12 P8 -","2","1","","Stephen M. Contakes; Sodio C. N. Hsu; Thomas B. Rauchfuss; Scott R. Wilson","Preparative and Structural Studies on the Carbonyl Cyanides of Iron, Manganese, and Ruthenium: Fundamentals Relevant to the Hydrogenases","Inorganic Chemistry","2002","41","","1670","1678","10.1021/ic011030l","","","0.71073","MoKα","","0.3344","0.0669","","","0.0827","0.1282","","","","","","0.735","","","","has coordinates,has disorder","179257","2020-10-21","18:00:00",""
"4317980","8.5758","0.0011","8.906","0.0012","15.49","0.003","90","","99.77","0.005","90","","1165.9","0.3","91","2","91","2","","","","","","","","6","P 1 n 1","P -2yac","7","[Co(pmp)2]ClO4","","","- C24 H20 Cl Co N6 O6 -","- C24 H20 Cl Co N6 O6 -","- C48 H40 Cl2 Co2 N12 O12 -","2","1","","John M. Rowland; Marilyn M. Olmstead; Pradip K. Mascharak","Unusual Reactivity of Methylene Group Adjacent to Pyridine-2-Carboxamido Moiety in Iron(III) and Cobalt(III) Complexes","Inorganic Chemistry","2002","41","","2754","2760","10.1021/ic011197e","","","0.71073","MoKα","","0.0578","0.0462","","","0.1092","0.1154","","","","","","1.036","","","","has coordinates,has disorder","179259","2020-10-21","18:00:00",""
"4317981","8.6168","0.0016","8.8823","0.0016","15.505","0.003","90","","99.972","0.007","90","","1168.8","0.4","91","2","91","2","","","","","","","","8","P 1 n 1","P -2yac","7","[Fe(pmp)2]BF4","","","- C24 H20 B Cl0 F4 Fe N6 O2 -","- C24 H20 B F4 Fe N6 O2 -","- C48 H40 B2 F8 Fe2 N12 O4 -","2","1","","John M. Rowland; Marilyn M. Olmstead; Pradip K. Mascharak","Unusual Reactivity of Methylene Group Adjacent to Pyridine-2-Carboxamido Moiety in Iron(III) and Cobalt(III) Complexes","Inorganic Chemistry","2002","41","","2754","2760","10.1021/ic011197e","","","0.71073","MoKα","","0.084","0.0567","","","0.1191","0.1324","","","","","","1.017","","","","has coordinates,has disorder","179259","2020-10-21","18:00:00",""
"4318851","12.385","0.0017","13.77","0.0019","18.19","0.002","90","","95.616","0.002","90","","3087.3","0.7","123","2","123","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C32 H60 F12 N6 O24 P4 Ru2 S6 -","- C32 H60 F12 N6 O24 P4 Ru2 S6 -","- C64 H120 F24 N12 O48 P8 Ru4 S12 -","2","1","","Shiho Hatemata; Hiroyasu Sugiyama; Saori Sasaki; Kazuko Matsumoto","Elimination of HX (X = Cl, Br) from Haloalkenes on the Ru2Q2 (Q = S, Se) Core Complex","Inorganic Chemistry","2002","41","","6006","6012","10.1021/ic020499t","","","0.71073","MoKα","","0.0371","0.0354","","","0.0904","0.0917","","","","","","1.029","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4320116","12.215","0.003","8.078","0.002","13.052","0.004","90","","90.057","0.006","90","","1287.9","0.6","300","2","300","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C18 H34 Cl2 N2 O2 P2 Pt -","- C18 H34 Cl2 N2 O2 P2 Pt -","- C36 H68 Cl4 N4 O4 P4 Pt2 -","2","1","","Ana C. Albéniz; Virginia Calle; Pablo Espinet; Sandra Gómez","The Origin of Hindered Rotation around the Pt-N Bond in Platinum Amides","Inorganic Chemistry","2001","40","","4211","4216","10.1021/ic010317f","","","0.71073","MoKα","","0.0522","0.0439","","","0.1293","0.1365","","","","","","1.074","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320484","10.6344","0.0003","5.3953","0.0001","18.1983","0.0001","90","","99.686","0.001","90","","1029.26","0.04","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C22 H23 Cu N3 O5 -","- C22 H23 Cu N3 O5 -","- C44 H46 Cu2 N6 O10 -","2","1","","Chang Tong Yang; Boujemaa Moubaraki; Keith S. Murray; John D. Ranford; Jagadese Jayapurandara Vittal","Interconversion of a Monomer and Two Coordination Polymers of a Copper(II)-Reduced Schiff Base Ligand-1,10-Phenanthroline Complex Based on Hydrogen- and Coordinative-Bonding","Inorganic Chemistry","2001","40","","5934","5941","10.1021/ic010479b","","","0.71073","MoKα","","0.0357","0.0291","","","0.0567","0.0586","","","","","","1.009","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4321325","14.4665","0.0003","11.7064","0.0002","27.8227","0.0006","90","","104.728","0.001","90","","4556.98","0.16","148","2","148","2","","","","","","","B. Lam / Prof. W. Tolman","8","P 1 n 1","P -2yac","7","98038cc","","","- C91 H90 B2 Cl4 Cu2 D42 N6 O5 -","- C80 H110 B2 Cu2 N6 O2 -","- C160 H220 B4 Cu4 N12 O4 -","2","1","","Bernice M. T. Lam; Jason A. Halfen; Victor G. Young,; John R. Hagadorn; Patrick L. Holland; Agustí Lledós; Lourdes Cucurull-Sánchez; Juan J. Novoa; Santiago Alvarez; William B. Tolman","Ligand Macrocycle Structural Effects on Copper-Dioxygen Reactivity","Inorganic Chemistry","2000","39","","4059","4072","10.1021/ic000248p","","","0.71073","MoKα","","0.084","0.0524","","0.1321","0.1197","","","","0.961","1.156","1.156","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322745","8.279","0.001","11.41","0.001","13.661","0.002","90","","98.41","","90","","1276.6","0.3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C17 H26 Ba F6 O11 -","- C17 H26 Ba F6 O11 -","- C34 H52 Ba2 F12 O22 -","2","1","","William A. Wojtczak; Mark J. Hampden-Smith; Eileen N. Duesler","Synthesis, Characterization, and Thermal Behavior of Polydentate Ligand Adducts of Barium Trifluoroacetate","Inorganic Chemistry","1998","37","","1781","1790","10.1021/ic9613220","","","0.71073","MoKα","","0.0299","0.0276","","0.0353","0.0347","","","","","1.02","1.02","","","","","has coordinates,has disorder","179330","2020-10-21","18:00:00",""
"4324733","8.0995","0.0015","14.635","0.003","9.8248","0.0018","90","","90.028","0.002","90","","1164.6","0.4","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","Plutonium(III) borate bromide","","","- B24 Br4 O51 Pu4 -","- B24 Br4 O51 Pu4 -","- B24 Br4 O51 Pu4 -","1","0.5","","Shuao Wang; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Surprising Coordination for Plutonium in the First Plutonium(III) Borate","Inorganic Chemistry","2011","50","","2079","2081","10.1021/ic200064n","","","0.71073","MoKα","","0.0459","0.0334","","","0.0653","0.0693","","","","","","1.002","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324937","10.4714","0.0002","13.6885","0.0004","12.6895","0.0004","90","","99.067","0.002","90","","1796.16","0.09","120","2","120","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C31 H40 Co F6 Fe N4 O8 P -","- C31 H40 Co F6 Fe N4 O8 P -","- C62 H80 Co2 F12 Fe2 N8 O16 P2 -","2","1","","Martin Jarenmark; Matti Haukka; Serhiy Demeshko; Felix Tuczek; Luca Zuppiroli; Franc Meyer; Ebbe Nordlander","Synthesis, Characterization, and Reactivity Studies of Heterodinuclear Complexes Modeling Active Sites in Purple Acid Phospatases","Inorganic Chemistry","2011","50","","3866","3887","10.1021/ic1020324","","","0.71073","MoKα","","0.0456","0.0367","","","0.0868","0.0916","","","","","","1.035","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324938","10.4533","0.0003","13.6671","0.0004","12.6719","0.0002","90","","98.781","0.002","90","","1789.17","0.08","120","2","120","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C31 H40 F6 Fe N4 Ni O8 P -","- C31 H40 F6 Fe N4 Ni O8 P -","- C62 H80 F12 Fe2 N8 Ni2 O16 P2 -","2","1","","Martin Jarenmark; Matti Haukka; Serhiy Demeshko; Felix Tuczek; Luca Zuppiroli; Franc Meyer; Ebbe Nordlander","Synthesis, Characterization, and Reactivity Studies of Heterodinuclear Complexes Modeling Active Sites in Purple Acid Phospatases","Inorganic Chemistry","2011","50","","3866","3887","10.1021/ic1020324","","","0.71073","MoKα","","0.0497","0.0393","","","0.0931","0.0976","","","","","","1.029","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4325956","12.3039","0.0003","19.2841","0.0004","13.9852","0.0003","90","","91.804","0.001","90","","3316.62","0.13","296","2","296","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C18 H15 K7 Na Ni4 O53 S3 Si W9 -","- C18 H15 K7 Na Ni4 O53 S3 Si W9 -","- C36 H30 K14 Na2 Ni8 O106 S6 Si2 W18 -","2","1","","Guillaume Rousseau; Olivier Oms; Anne Dolbecq; Jérôme Marrot; Pierre Mialane","Route for the Elaboration of Functionalized Hybrid 3d-Substituted Trivacant Keggin Anions","Inorganic Chemistry","2011","50","","7376","7378","10.1021/ic2011088","","","0.71073","MoKα","","0.0351","0.032","","","0.0724","0.0742","","","","","","1.049","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326017","12.2946","0.0013","15.6385","0.0015","18.03","0.003","90","","91.692","0.002","90","","3465.1","0.8","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C15 H15 F6 K N2 O -","- C15 H15 F6 K N2 O -","- C120 H120 F48 K8 N16 O8 -","8","4","","Jaime A. Flores; José G. Andino; Nikolay P. Tsvetkov; Maren Pink; Robert J. Wolfe; Ashley R. Head; Dennis L. Lichtenberger; Joseph Massa; Kenneth G. Caulton","Assessment of the Electronic Structure of 2,2'-Pyridylpyrrolides as Ligands","Inorganic Chemistry","2011","50","","8121","8131","10.1021/ic2005503","","","0.71073","MoKα","","0.081","0.0477","","","0.1052","0.121","","","","","","1.022","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4326742","4.9388","0.0011","15.844","0.004","5.7119","0.0013","90","","92.201","0.012","90","","446.63","0.18","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H9 Co O4 P -","- C8 H9 Co O4 P -","- C16 H18 Co2 O8 P2 -","2","1","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","","","1.54178","CuKα","","0.0767","0.0723","","","0.1822","0.1887","","","","","","1.008","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326743","5.1833","0.00024","15.3959","0.0006","5.94963","0.00025","90","","94.534","0.004","90","","473.3","0.03","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H9 Cd O4 P -","- C8 Cd O4 P -","- C16 Cd2 O8 P2 -","2","1","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","powder diffraction","x-ray","1.5406","","","","","","","","","0.11583","","5.29","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326773","9.829","0.003","19.873","0.006","16.963","0.005","90","","90.663","0.004","90","","3313.2","1.7","100","2","100","1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C40 H77 Cl5 Fe5 Mo2 N8 S8 -","- C40 H77 Cl5 Fe5 Mo2 N8 S8 -","- C80 H154 Cl10 Fe10 Mo4 N16 S16 -","2","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.1406","0.0929","","","0.2261","0.2492","","","","","","1.028","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4328636","5.9522","0.0008","13.3808","0.0017","7.9745","0.001","90","","110.252","0.002","90","","595.87","0.13","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","aqua(N-benzyl-aspartate)cobalt(II)","","- C11 H13 Co N O5 -","- C11 H11 Co N O5 -","- C22 H22 Co2 N2 O10 -","2","1","","Junghwan Do; Yumi Lee; Jaeun Kang; Yong Sun Park; Bernd Lorenz; Allan J. Jacobson","[M(rac-N-benzyl Asp)(H2O)] (M = Co, Ni): Noncentrosymmetric Coordination Polymeric Chains with Racemic Chiral Ligands","Inorganic Chemistry","2012","51","","3533","3539","10.1021/ic202302x","","","0.71073","MoKα","","0.0361","0.0349","","","0.0925","0.0935","","","","","","1.06","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328637","5.9343","0.0004","13.2243","0.001","7.9584","0.0006","90","","110.41","0.001","90","","585.34","0.07","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","aqua(N-benzyl-aspartate)nickel(II)","","- C11 H13 N Ni O5 -","- C11 H11 N Ni O5 -","- C22 H22 N2 Ni2 O10 -","2","1","","Junghwan Do; Yumi Lee; Jaeun Kang; Yong Sun Park; Bernd Lorenz; Allan J. Jacobson","[M(rac-N-benzyl Asp)(H2O)] (M = Co, Ni): Noncentrosymmetric Coordination Polymeric Chains with Racemic Chiral Ligands","Inorganic Chemistry","2012","51","","3533","3539","10.1021/ic202302x","","","0.71073","MoKα","","0.0303","0.029","","","0.0774","0.0781","","","","","","1.107","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328798","11.8663","0.0013","10.6254","0.0011","16.7653","0.0019","90","","104.561","0.005","90","","2045.9","0.4","120","","120","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C50 H44 Br N2 P3 Pt -","- C50 H44 Br N2 P3 Pt -","- C100 H88 Br2 N4 P6 Pt2 -","2","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0166","0.0157","","0.0396","0.0391","0.0396","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328803","9.0478","0.0005","10.4295","0.0005","21.9895","0.0009","90","","97.486","0.003","90","","2057.33","0.17","120","","120","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C40 H37 Cl2 F6 I N2 P4 Pt -","- C40 H37 Cl2 F6 I N2 P4 Pt -","- C80 H74 Cl4 F12 I2 N4 P8 Pt2 -","2","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0587","0.051","","0.1163","0.114","0.1163","","","","","","1.0103","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328922","10.7137","0.0006","8.6261","0.0004","14.0551","0.0009","90","","97.791","0.005","90","","1286.95","0.13","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H31 Mo N3 O4 -","- C26 H31 Mo N3 O4 -","- C52 H62 Mo2 N6 O8 -","2","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0378","0.0375","","","0.0996","0.0998","","","","","","1.059","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4329222","12.1201","0.0019","15.932","0.002","16.068","0.002","90","","103.161","0.002","90","","3021.2","0.7","90","","90","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C71 H70 Ag B F4 O P4 -","- C71 H70 Ag B F4 O P4 -","- C142 H140 Ag2 B2 F8 O2 P8 -","2","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Photoluminescence Properties, Molecular Structures, and Theoretical Study of Heteroleptic Silver(I) Complexes Containing Diphosphine Ligands","Inorganic Chemistry","2012","51","","5805","5813","10.1021/ic300333c","","","0.71073","MoKα","","0.0622","0.0579","","","0.1115","0.1147","","","","","","1.117","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329601","7.3491","0.0006","8.8399","0.0007","43.054","0.003","90","","91.682","0.002","90","","2795.8","0.4","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","[(rac)-2][Ni(dmit)2]3, (CH3CN)","","","- C29 H25 N2 Ni3 S30 -","- C29 H25 N2 Ni3 S30 -","- C58 H50 N4 Ni6 S60 -","2","1","","Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué","Chiral Conducting Salts of Nickel Dithiolene Complexes","Inorganic Chemistry","2012","51","","7144","7152","10.1021/ic300146s","","x-ray","0.71073","MoKα","","0.0598","0.0524","","","0.1582","0.1638","","","","","","1.088","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329602","4.3305","0.0003","10.0784","0.0006","13.16","0.0007","90","","98.44","0.004","90","","568.14","0.06","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(SP-4-1)-Dichlorido((1E)-N-hydroxypropane-1-imine-kappaN)(1Z)-N- hydroxypropane-1-imine-kappaN)platinum(II)","","- C6 H14 Cl2 N2 O2 Pt -","- C6 H14 Cl2 N2 O2 Pt -","- C12 H28 Cl4 N4 O4 Pt2 -","2","1","","Yulia Yu. Scaffidi-Domianello; Anton A. Legin; Michael A. Jakupec; Alexander Roller; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Novel Oximato-Bridged Platinum(II) Di- and Trimer(s): Synthetic, Structural, and in Vitro Anticancer Activity Studies","Inorganic Chemistry","2012","51","","7153","7163","10.1021/ic300148e","","","0.71073","MoKα","","0.0427","0.0336","","","0.0631","0.0659","","","","","","1.024","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4330257","7.4111","0.0005","14.7331","0.001","9.2356","0.0006","90","","98.9413","0.0018","90","","996.17","0.12","113","","113","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H27 B Cu F4 N6 -","- C16 H27 B Cu F4 N6 -","- C32 H54 B2 Cu2 F8 N12 -","2","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0454","","","","0.0732","","","","","","1.047","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330890","6.6791","0.0002","9.7861","0.0004","34.6517","0.0013","90","","94.379","0.002","90","","2258.3","0.14","193","2","193","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H35 N2 Rh Si2 -","- C21 H35 N2 Rh Si2 -","- C84 H140 N8 Rh4 Si8 -","4","2","","Dimitri Matioszek; Nathalie Saffon; Jean-Marc Sotiropoulos; Karinne Miqueu; Annie Castel; Jean Escudié","Bis(amidinato)germylenerhodium Complexes: Synthesis, Structure, and Density Functional Theory Calculations","Inorganic Chemistry","2012","51","","11716","11721","10.1021/ic3016194","","","0.71073","MoKα","","0.0491","0.0382","","","0.0681","0.0715","","","","","","1.024","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4331280","16.701","0.005","9.905","0.005","18.435","0.005","90","0.005","107.712","0.005","90","0.005","2905","1.9","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C56 H64 Cl2 Cu2 N6 O8 P2 -","- C56 H64 Cl2 Cu2 N6 O8 P2 -","- C112 H128 Cl4 Cu4 N12 O16 P4 -","2","1","","Sukanta Mandal; Jhumpa Mukherjee; Francesc Lloret; Rabindranath Mukherjee","Modeling Tyrosinase and Catecholase Activity Using Newm-Xylyl-Based Ligands with Bidentate Alkylamine Terminal Coordination","Inorganic Chemistry","2012","51","","13148","13161","10.1021/ic3013848","","","0.71073","MoKα","","0.1712","0.0834","","","0.1624","0.1979","","","","","","0.922","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4332964","4.5747","0.0018","10.194","0.004","12.037","0.005","90","","99.73","0.006","90","","553.3","0.4","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(4-picolyl)-4-nitroaniline","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C24 H22 N6 O4 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Crystals of a Remote Functionalized Achiral NLO-phore Assembled through Zinc(II) Complexation","Inorganic Chemistry","2006","45","24","9758","9764","10.1021/ic061145v","","","0.71073","MoKα","","0.0831","0.0692","","","0.1598","0.1676","","","","","","1.172","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332965","10.406","0.004","10.387","0.004","14.203","0.006","90","","108.928","0.006","90","","1452.2","1","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N-(4-picolyl)-4-nitroaniline - Zinc(II) acetate","","- C28 H28 N6 O8 Zn -","- C28 H28 N6 O8 Zn -","- C56 H56 N12 O16 Zn2 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Crystals of a Remote Functionalized Achiral NLO-phore Assembled through Zinc(II) Complexation","Inorganic Chemistry","2006","45","24","9758","9764","10.1021/ic061145v","","","0.71073","MoKα","","0.0848","0.0486","","","0.0649","0.0701","","","","","","0.933","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333570","11.7511","0.001","9.5857","0.0009","13.9451","0.0012","90","","99.355","0.001","90","","1549.9","0.2","173","2","173","2","","","","","","","","7","P 1 n 1","P -2yac","7","LCuPdCl2","10","","- C29 H35 Cl2 Cu N4 O4 Pd -","- C29 H35 Cl2 Cu N6 O4 Pd -","- C58 H70 Cl4 Cu2 N12 O8 Pd2 -","2","1","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","x-ray","0.71073","MoKα","","0.0485","0.0449","","","0.1238","0.1274","","","","","","1.038","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333571","11.6393","0.0009","9.5738","0.0008","14.0041","0.0011","90","","98.213","0.001","90","","1544.5","0.2","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","LCuPtCl2","LCuPtCl2","","- C29 H35 Cl2 Cu N4 O3 Pt -","- C29 H35 Cl2 Cu N6 O3 Pt -","- C58 H70 Cl4 Cu2 N12 O6 Pt2 -","2","1","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","","0.71073","MoKα","","0.0494","0.042","","","0.0995","0.1031","","","","","","0.99","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4334040","13.9659","0.0003","11.9966","0.0004","18.2189","0.0005","90","","94.0112","0.0017","90","","3044.98","0.15","20","1","20","1","","","","","","","","7","P 1 n 1","P -2yac","7","{RuH[(eta2-H-SiMe2)N(Me)kappa-N-(C5H4N)][kappa-Si,N-(SiMe2)N(Me)(C5H4N)]2}+ {[3,5-(CF3)2C6H3]4B}-","","","- C56 H53 B F24 N6 Ru Si3 -","- C56 H53 B F24 N6 Ru Si3 -","- C112 H106 B2 F48 N12 Ru2 Si6 -","2","1","","Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne","Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation","Inorganic Chemistry","2013","52","","2654","2661","10.1021/ic302682f","","neutron","1.1708","neutron","","0.0882","0.0617","","","0.1197","0.131","","","","","","1.063","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334044","13.9065","0.0003","12.1742","0.0003","18.3076","0.0004","90","","94.385","0.002","90","","3090.41","0.12","100","2","100","2","","","","","","","synthesis as described","7","P 1 n 1","P -2yac","7","","","","- C56 H53 B F24 N6 Ru Si3 -","- C56 H53 B F24 N6 Ru Si3 -","- C112 H106 B2 F48 N12 Ru2 Si6 -","2","1","","Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne","Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation","Inorganic Chemistry","2013","52","","2654","2661","10.1021/ic302682f","","x-ray","0.71073","MoKα","","0.0399","0.0345","","","0.0809","0.0854","","","","","","1.041","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334247","9.341","0.003","29.955","0.007","16.497","0.004","90","","93.604","0.01","90","","4607","2","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Th benzyl","","- C50 H58 K2 O2 Th -","- C50 H58 K2 O2 Th -","- C200 H232 K8 O8 Th4 -","4","2","","Lani A. Seaman; Justin R. Walensky; Guang Wu; Trevor W. Hayton","In Pursuit of Homoleptic Actinide Alkyl Complexes","Inorganic Chemistry","2013","52","","3556","3564","10.1021/ic300867m","","","0.71073","MoKα","","0.0775","0.0536","","","0.1075","0.1163","","","","","","0.992","","","","has coordinates,has disorder","189305","2020-10-21","18:00:00",""
"4334467","13.062","0.003","29.388","0.006","14.96","0.003","90","","93.48","0.03","90","","5732","2","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(μ-dinitrogen)-bis{κ^2^ C,N-3-methyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-<i>bis</i>{κ^3^ N,N',N''-<i>tris</i>(pirazolyl)borate}- diruthenium(II) <i>bis</i>{<i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate}","","- C102 H66 B4 F48 N20 Ru2 -","- C102 H66 B4 F48 N20 Ru2 -","- C204 H132 B8 F96 N40 Ru4 -","2","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0657","0.0579","","","0.1502","0.1573","","","","","","1.042","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334878","17.977","0.0012","19.4552","0.0013","18.0408","0.0012","90","","93.931","0.003","90","","6294.9","0.7","143","1","143","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C68 H92 La Li N2 O7 -","- C68 H92 La Li N2 O7 -","- C272 H368 La4 Li4 N8 O28 -","4","2","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0534","0.0496","","","0.1108","0.1133","","","","","","1.147","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334879","17.9237","0.0011","19.409","0.0012","18.025","0.0012","90","","94.044","0.003","90","","6254.9","0.7","143","1","143","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C68 H92 Ce Li N2 O7 -","- C68 H92 Ce Li N2 O7 -","- C272 H368 Ce4 Li4 N8 O28 -","4","2","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0645","0.0584","","","0.1311","0.1349","","","","","","1.19","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4335625","12.394","0.0006","11.9823","0.0006","16.438","0.0009","90","","93.027","0.003","90","","2437.8","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C56 H53 F6 Fe P4 -","- C56 H53 F6 Fe P4 -","- C112 H106 F12 Fe2 P8 -","2","1","","Ayham Tohmé; Guillaume Grelaud; Gilles Argouarch; Thierry Roisnel; Arnaud Bondon; Frédéric Paul","Triarylphosphine Ligands with Pendant Electron-Rich ""[Fe(κ2-dppe)(η5-C5Me5)(C\τbC)]-"" Substituents","Inorganic Chemistry","2013","52","","8993","9004","10.1021/ic4011828","","x-ray","0.71073","MoKα","","0.0503","0.0445","","","0.1024","0.1085","","","","","","1.03","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4336759","14.4864","0.0008","16.1022","0.001","18.171","0.001","90","","96.779","0.002","90","","4209","0.4","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","mer-Mo(CO)3(CNArClips2)3","","","- C90 H66 Cl12 F3 Mo N3 O3 -","- C90 H66 Cl12 F3 Mo N3 O3 -","- C180 H132 Cl24 F6 Mo2 N6 O6 -","2","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0417","0.0346","","","0.0766","0.0788","","","","","","1.033","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4337278","11.3862","0.0004","19.1051","0.0007","18.6796","0.0007","90","","107.783","0.002","90","","3869.3","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H24 Cu N3 O4.5 -","- C20 H24 Cu N3 O4.5 -","- C160 H192 Cu8 N24 O36 -","8","4","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure","Synthesis, structural characterization, and magnetic properties of a copper-gadolinium complex derived from a hydroxybenzohydrazide ligand.","Inorganic chemistry","2014","53","4","2181","2187","10.1021/ic4027283","","","0.71073","MoKα","","0.0321","0.029","","0.0387","0.0329","0.0319","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337352","8.1215","0.0005","6.7002","0.0003","12.3686","0.0004","90","","104.791","0.003","90","","650.74","0.05","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C11 H8 Cl3 N2 O Os -","- C11 H8 Cl3 N2 O Os -","- C22 H16 Cl6 N4 O2 Os2 -","2","1","","Tory, Joanne; King, Lisa; Maroulis, Antonios; Haukka, Matti; Calhorda, Maria José; Hartl, František","Solvent-Dependent Formation of Os(0) Complexes by Electrochemical Reduction of [Os(CO)(2,2'-bipyridine)(L)Cl2]; L = Cl(-), PrCN.","Inorganic chemistry","2014","53","3","1382","1396","10.1021/ic402146t","","","0.71073","MoKα","","0.0138","0.0127","","","0.0267","0.027","","","","","","0.801","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337813","11.1318","0.0007","11.8742","0.0009","22.8997","0.0014","90","","91.818","0.008","90","","3025.4","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 N3 O27 P6 Sm -","- C36 H60 N3 O27 P6 Sm -","- C72 H120 N6 O54 P12 Sm2 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0377","0.033","","","0.082","0.084","","","","","","0.976","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337814","11.1476","0.0008","11.8848","0.0008","22.9395","0.0017","90","","91.81","0.009","90","","3037.7","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Eu N3 O27 P6 -","- C36 H60 Eu N3 O27 P6 -","- C72 H120 Eu2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0609","0.0387","","","0.0868","0.0976","","","","","","0.927","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337815","11.144","0.0004","11.8806","0.0009","22.934","0.002","90","","91.716","0.006","90","","3035","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Gd N3 O27 P6 -","- C36 H60 Gd N3 O27 P6 -","- C72 H120 Gd2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0649","0.0397","","","0.0618","0.0671","","","","","","0.999","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337816","11.1296","0.0009","11.8385","0.0007","22.875","0.002","90","","91.622","0.011","90","","3012.8","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 N3 O27 P6 Tb -","- C36 H60 N3 O27 P6 Tb -","- C72 H120 N6 O54 P12 Tb2 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0579","0.0361","","","0.0514","0.0554","","","","","","0.844","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337817","11.13","0.0008","11.851","0.001","22.8564","0.0018","90","","91.699","0.009","90","","3013.5","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Dy N3 O27 P6 -","- C36 H60 Dy N3 O27 P6 -","- C72 H120 Dy2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0424","0.0348","","","0.0742","0.076","","","","","","0.996","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337818","11.1386","0.0008","11.8158","0.0009","22.8715","0.0017","90","","91.579","0.009","90","","3009","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Ho N3 O27 P6 -","- C36 H60 Ho N3 O27 P6 -","- C72 H120 Ho2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0334","0.0282","","","0.0594","0.0602","","","","","","1.173","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337819","11.1375","0.0008","11.785","0.0008","22.8365","0.0017","90","","91.817","0.009","90","","2995.9","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Er N3 O27 P6 -","- C36 H60 Er N3 O27 P6 -","- C72 H120 Er2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.1437","0.0487","","","0.0963","0.1299","","","","","","0.761","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4338871","8.6401","0.0017","7.4461","0.0015","10.576","0.002","90","","95.9","0.03","90","","676.8","0.2","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H14 Ag N3 O3 S -","- C12 H14 Ag N3 O3 S -","- C24 H28 Ag2 N6 O6 S2 -","2","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Structural study of silver(I) sulfonate complexes with pyrazine derivatives.","Inorganic chemistry","2007","46","18","7299","7311","10.1021/ic070147s","","","0.71073","MoKα","","0.0214","0.0209","","","0.0516","0.0518","","","","","","1.111","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4340604","8.95","0.002","11.086","0.003","14.038","0.004","90","","97.158","0.007","90","","1382","0.6","93","","93","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C30 H32 P2 S2 -","- C30 H32 P2 S2 -","- C60 H64 P4 S4 -","2","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0517","","","","0.1021","","","","","","1.032","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340832","9.0024","0.0004","10.959","0.0004","17.4224","0.0007","90","","99.862","0.001","90","","1693.45","0.12","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(2,3-cis-but-2-enedithiolato-κ^2^S,S')bis(triphenyl phosphine)palladium(II)","","- C40 H36 P2 Pd S2 -","- C40 H36 P2 Pd S2 -","- C80 H72 P4 Pd2 S4 -","2","1","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0171","0.0169","","","0.0446","0.0447","","","","","","1.131","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4341326","10.768","0.002","16.011","0.003","21.244","0.004","90","","101.91","0.03","90","","3583.8","1.2","133","2","133","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C72 H88 Cl Eu Li2 O12 Si4 -","- C68 H80 Cl Eu Li2 O11 Si4 -","- C136 H160 Cl2 Eu2 Li4 O22 Si8 -","2","1","","Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.","Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.","Inorganic chemistry","2014","53","21","11662","11674","10.1021/ic501837x","","","0.71073","MoKα","","0.0619","0.0511","","","0.1325","0.139","","","","","","1.043","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341366","13.7435","0.0014","26.138","0.003","21.02","0.002","90","","90.337","0.002","90","","7550.8","1.4","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C78 H109 Co2 N2 Na3 O13 -","- C78 H109 Co2 N2 Na3 O13 -","- C312 H436 Co8 N8 Na12 O52 -","4","2","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.046","0.037","","","0.0916","0.0972","","","","","","1.017","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4342174","10.7196","0.0019","11.246","0.002","15.646","0.003","90","","105.894","0.003","90","","1814.1","0.6","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H39 Dy N12 O15 -","- C27 H27 Dy N12 O15 -","- C54 H54 Dy2 N24 O30 -","2","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0294","0.0275","","","0.0717","0.0736","","","","","","1.062","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342177","10.657","0.001","11.1946","0.001","15.6855","0.0015","90","","105.717","0.001","90","","1801.3","0.3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H39 N12 O15 Tm -","- C27 H33 N12 O15 Tm -","- C54 H66 N24 O30 Tm2 -","2","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0327","0.0317","","","0.0851","0.0858","","","","","","1.409","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342178","10.6586","0.0011","11.1919","0.0012","15.6731","0.0017","90","","105.733","0.002","90","","1799.6","0.3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H39 N12 O15 Yb -","- C27 H27 N12 O15 Yb -","- C54 H54 N24 O30 Yb2 -","2","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0248","0.0234","","","0.0593","0.0606","","","","","","1.059","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342512","6.3432","0.0002","6.7184","0.0002","7.9404","0.0003","90","","89.988","0.002","90","","338.389","0.019","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","Lithium cobalt tin sulfide","","","- Co Li2 S4 Sn -","- Co Li2 S4 Sn -","- Co2 Li4 S8 Sn2 -","2","1","","Brant, Jacilynn A.; Clark, Daniel J.; Kim, Yong Soo; Jang, Joon I.; Weiland, Ashley; Aitken, Jennifer A.","Outstanding Laser Damage Threshold in Li2MnGeS4 and Tunable Optical Nonlinearity in Diamond-Like Semiconductors.","Inorganic chemistry","2015","54","6","2809","2819","10.1021/ic502981r","","","0.71073","MoKα","","0.0315","0.025","","","0.0477","0.0494","","","","","","1.032","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4344689","9.7047","0.0004","10.9618","0.0009","20.715","0.0016","90","","102.546","0.004","90","","2151.1","0.3","200","2","200","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C22 H26 Ag Br N2 -","- C22 H26 Ag Br N2 -","- C88 H104 Ag4 Br4 N8 -","4","2","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71073","MoKα","","0.0681","0.0389","","","0.0793","0.0869","","","","","","0.967","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4345557","12.965","0.0003","12.9796","0.0003","20.1038","0.0005","90","","95.1696","0.0008","90","","3369.32","0.14","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H0 Np10 O70 -","- C24 Np10 O70 -","- C48 Np20 O140 -","2","1","","Martin, Nicolas P.; März, Juliane; Volkringer, Christophe; Henry, Natacha; Hennig, Christoph; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Synthesis of Coordination Polymers of Tetravalent Actinides (Uranium and Neptunium) with a Phthalate or Mellitate Ligand in an Aqueous Medium.","Inorganic chemistry","2017","56","5","2902","2913","10.1021/acs.inorgchem.6b02962","","x-ray","0.71069","MoKα","","0.0486","0.0352","","","0.0372","0.039","","","","1.12","1.12","1.08","","","","has coordinates","201208","2020-10-21","18:00:00",""
"4346237","10.578","0.0013","15.81","0.003","14.448","0.003","90","","105.119","0.01","90","","2332.6","0.7","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C13 H8 F20 O4 P2 Pt -","- C13 H7 F20 O4 P2 Pt -","- C52 H28 F80 O16 P8 Pt4 -","4","2","","Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold","Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.","Inorganic chemistry","2015","54","16","7945","7952","10.1021/acs.inorgchem.5b01038","","","0.71073","MoKα","","0.0492","0.0411","","","0.1","0.1072","","","","","","1.079","","","","has coordinates","231677","2020-10-21","18:00:00",""
"4346509","9.0031","0.0002","14.6586","0.0002","20.7632","0.0003","90","","93.652","0.002","90","","2734.61","0.08","123","2","123","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C30 H86 Br N7 Na4 Si6 -","- C30 H86 Br N7 Na4 Si6 -","- C60 H172 Br2 N14 Na8 Si12 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","1.54184","CuKα","","0.0597","0.0509","","","0.1296","0.1418","","","","","","1.072","","","","has coordinates,has disorder","231815","2020-10-21","18:00:00",""
"4348175","15.047","0.003","13.919","0.003","20.904","0.005","90","","90.123","0.002","90","","4378.1","1.7","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C54 H127 Cl Co O32 Ti11 -","- C54 H127 Cl Co O32 Ti11 -","- C108 H254 Cl2 Co2 O64 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1051","0.0579","","","0.1236","0.1469","","","","","","1.017","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348176","15.0664","0.0016","13.9101","0.0014","20.852","0.002","90","","90","","90","","4370.1","0.8","296","2","296.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Co O31 Ti11 -","- C51 H119 Br Co O31 Ti11 -","- C102 H238 Br2 Co2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1113","0.061","","","0.1504","0.1624","","","","","","0.881","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348177","15.0662","0.0004","13.9583","0.0004","20.9181","0.0005","90","","90","","90","","4399","0.2","296","2","296.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Co I O31 Ti11 -","- C51 H119 Co I O31 Ti11 -","- C102 H238 Co2 I2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1247","0.0635","","","0.1305","0.1486","","","","","","0.841","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348179","15.0469","0.0009","13.9297","0.0009","20.9419","0.0014","90","","90","","90","","4389.4","0.5","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C54 H127 Cl Ni O32 Ti11 -","- C54 H127 Cl Ni O32 Ti11 -","- C108 H254 Cl2 Ni2 O64 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1568","0.0604","","","0.1024","0.1235","","","","","","0.772","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348180","15.118","0.003","13.918","0.003","20.887","0.005","90","","90.054","0.002","90","","4394.9","1.7","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Ni O31 Ti11 -","- C51 H119 Br Ni O31 Ti11 -","- C102 H238 Br2 Ni2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1672","0.0736","","","0.1615","0.2012","","","","","","0.976","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348181","15.1113","0.0005","13.9459","0.0004","20.8851","0.0006","90","","90.141","0.002","90","","4401.3","0.2","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 I Ni O31 Ti11 -","- C51 H119 I Ni O31 Ti11 -","- C102 H238 I2 Ni2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1485","0.062","","","0.1252","0.1452","","","","","","0.829","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348183","15.11","0.003","14.173","0.003","20.714","0.005","90","","90.234","0.002","90","","4435.9","1.7","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Mg O31 Ti11 -","- C51 H119 Br Mg O31 Ti11 -","- C102 H238 Br2 Mg2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.2153","0.1035","","","0.2759","0.3603","","","","","","1.024","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348186","15.044","0.004","13.924","0.004","20.85","0.005","90","","90.041","0.002","90","","4368","2","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C54 H127 Cl O32 Ti11 Zn -","- C54 H127 Cl O32 Ti11 Zn -","- C108 H254 Cl2 O64 Ti22 Zn2 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.0941","0.0561","","","0.1282","0.1479","","","","","","1.033","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348187","15.0608","0.0004","13.9572","0.0005","20.8997","0.0006","90","","90","","90","","4393.3","0.2","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br O31 Ti11 Zn -","- C51 H119 Br O31 Ti11 Zn -","- C102 H238 Br2 O62 Ti22 Zn2 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1133","0.0534","","","0.1129","0.1243","","","","","","0.824","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348188","20.979","0.009","13.904","0.006","15.104","0.006","90","","90","","90","","4406","3","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Cd Cl O31 Ti11 -","- C51 H119 Cd Cl O31 Ti11 -","- C102 H238 Cd2 Cl2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.0715","0.0472","","","0.1135","0.1203","","","","","","0.892","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348189","15.081","0.004","13.925","0.003","20.958","0.005","90","","90","","90","","4401.2","1.8","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Cd O31 Ti11 -","- C51 H119 Br Cd O31 Ti11 -","- C102 H238 Br2 Cd2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.0901","0.0556","","","0.1237","0.1326","","","","","","0.888","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348729","13.491","0.0005","11.0224","0.0004","16.4169","0.0006","90","","103.855","0.0017","90","","2370.21","0.15","120","","120","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C42 H69 Cl Cu I N3 P3 Ti -","- C42 H69 Cl Cu I N3 P3 Ti -","- C84 H138 Cl2 Cu2 I2 N6 P6 Ti2 -","2","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0281","0.0251","","0.057","0.0552","0.057","","","","","","0.9958","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348935","14.1657","0.0001","16.5718","0.0001","16.7075","0.0001","90","","95.929","0.001","90","","3901.12","0.04","85","2","85","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C68 H66 Dy Mn4 N8 Na O29 -","- C68 H72 Dy Mn4 N8 Na O29 -","- C136 H144 Dy2 Mn8 N16 Na2 O58 -","2","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","1.54184","CuKα","","0.0389","0.0372","","","0.0974","0.0993","","","","","","1.006","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348936","14.1334","0.0018","16.628","0.002","16.764","0.002","90","","96.893","0.002","90","","3911.2","0.8","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C68 H75.2 Dy K Mn4 N8 O29.6 -","- C68 H75.2 Dy K Mn4 N8 O29.6 -","- C136 H150.4 Dy2 K2 Mn8 N16 O59.2 -","2","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","0.71073","MoKα","","0.0315","0.0292","","","0.0745","0.0768","","","","","","1.06","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4349409","11.15421","0.00009","10.99823","0.00007","11.85068","0.00011","90","","112.181","0.0011","90","","1346.21","0.02","99.99","0.14","99.99","0.14","","","","","","","","5","P 1 n 1","P -2yac","7","","3,7-dimethyl-2,4,6,8-tetraphenyl-1,5,3,7,2,4,6,8-diselenadiazatetraphosphocane","","- C26 H26 N2 P4 Se2 -","- C26 H26 N2 P4 Se2 -","- C52 H52 N4 P8 Se4 -","2","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0274","0.0274","","","0.0716","0.0716","","","","","","1.122","","","","has coordinates,has disorder","233957","2020-10-21","18:00:00",""
"4349411","11.08745","0.00009","11.01972","0.00007","11.82438","0.0001","90","","113.092","0.001","90","","1328.95","0.02","99.98","0.13","99.98","0.13","","","","","","","","5","P 1 n 1","P -2yac","7","","3,7-dimethyl-2,4,6,8-tetraphenyl-1,5,3,7,2,4,6,8-dithiadiazatetraphosphocane","","- C26 H26 N2 P4 S2 -","- C26 H26 N2 P4 S2 -","- C52 H52 N4 P8 S4 -","2","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0275","0.0274","","","0.0778","0.0779","","","","","","1.045","","","","has coordinates,has disorder","233960","2020-10-21","18:00:00",""
"4349901","12.1561","0.0006","12.2251","0.0004","15.8952","0.0004","90","","94.761","0.003","90","","2354.03","0.15","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C33 H44 Eu F12 Li O17 -","- C33 H44 Eu F12 Li O17 -","- C66 H88 Eu2 F24 Li2 O34 -","2","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.0497","0.0371","","","0.0864","0.0958","","","","","","1.007","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349902","12.1678","0.0006","12.1989","0.0003","15.8643","0.0005","90","","94.541","0.004","90","","2347.41","0.15","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C33 H44 F12 Li O17 Tb -","- C33 H44 F12 Li O17 Tb -","- C66 H88 F24 Li2 O34 Tb2 -","2","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.71073","MoKα","","0.0453","0.0344","","","0.0792","0.0871","","","","","","1.002","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349904","12.3203","0.0004","12.2197","0.0004","15.8773","0.0005","90","","94.512","0.003","90","","2382.93","0.13","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C33 H44 Dy F12 Li O17 -","- C33 H44 Dy F12 Li O17 -","- C66 H88 Dy2 F24 Li2 O34 -","2","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.049","0.0372","","","0.0883","0.1013","","","","","","1.005","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4500356","13.358","0.004","22.436","0.007","33.343","0.01","90","","90.006","0.006","90","","9993","5","293","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","trimethyltin hydroxide","","","- C24 H72 O8 Sn8 -","- C24 H72 O8 Sn8 -","- C192 H576 O64 Sn64 -","8","4","","Anderson, Kirsty M.; Tallentire, Sarah E.; Probert, Michael R.; Goeta, Andrés E.; Mendis, Budhika G.; Steed, Jonathan W.","Trimethyltin Hydroxide: A Crystallographic and HighZ′ Curiosity","Crystal Growth & Design","2011","11","3","820","","10.1021/cg101464j","","","0.71073","MoKα","","0.3136","0.0681","","","0.2221","0.3569","","","","","","0.91","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4502497","11.1626","0.0015","8.0501","0.0012","15.18","0.0018","90","","107.706","0.002","90","","1299.5","0.3","298","2","298","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H12 Mn N6 O4 S2 -","- C26 H12 Mn N6 O4 S2 -","- C52 H24 Mn2 N12 O8 S4 -","2","1","","Ma, Qi; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi; Lu, Liping; Wang, Qingming","A Molecular Helix: Self-Assembly of Coordination Polymers from d10Metal Ions and 1,10-Phenanthroline-5,6-dione (pdon) with the Bridges of SCN−and Cl−Anions","Crystal Growth & Design","2010","10","4","1706","","10.1021/cg901297y","","","0.71073","MoKα","","0.0802","0.0539","","","0.1257","0.1367","","","","","","0.923","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4503357","12.572","0.003","25.726","0.005","12.678","0.003","90","","90.28","0.03","90","","4100.4","1.6","173.1","1","173.1","1","","","","","","","","4","P 1 n 1","P -2yac","7","t-Bu-Calix[4]arene *0.24Xenon","","","- C44 H56 O4 Xe0.24 -","- C44 H56 O4 Xe0.235 -","- C176 H224 O16 Xe0.94 -","4","2","","Brouwer, Darren H.; Moudrakovski, Igor L.; Udachin, Kostantin A.; Enright, Gary D.; Ripmeester, John A.","Guest Loading and Multiple Phases in Single Crystals of the van der Waals Hostp-tert-Butylcalix[4]arene","Crystal Growth & Design","2008","8","6","1878","","10.1021/cg7010138","","","0.71073","MoKα","","0.1611","0.1329","","","0.3981","0.4188","","","","","","1.635","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503358","12.547","0.003","25.625","0.005","12.646","0.003","90","","90.13","0.03","90","","4065.9","1.6","100.1","1","100.1","1","","","","","","","","4","P 1 n 1","P -2yac","7","t-Bu-Calix[4]arene *0.54Xenon","","","- C44 H56 O4 Xe0.54 -","- C44 H56 O4 Xe0.54 -","- C176 H224 O16 Xe2.16 -","4","2","","Brouwer, Darren H.; Moudrakovski, Igor L.; Udachin, Kostantin A.; Enright, Gary D.; Ripmeester, John A.","Guest Loading and Multiple Phases in Single Crystals of the van der Waals Hostp-tert-Butylcalix[4]arene","Crystal Growth & Design","2008","8","6","1878","","10.1021/cg7010138","","","0.71073","MoKα","","0.2114","0.1745","","","0.4194","0.4458","","","","","","1.661","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503664","6.3926","0.0004","8.4521","0.0005","10.6951","0.0007","90","","91.899","0.003","90","","577.55","0.06","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C26 H26 N6 O2 -","2","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.0497","0.0357","","","0.0788","0.0842","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503857","9.038","0.002","10.645","0.003","11.762","0.003","90","","91.078","0.003","90","","1131.4","0.5","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H26 F2 N2 O3 -","- C26 H26 F2 N2 O3 -","- C52 H52 F4 N4 O6 -","2","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0558","0.0423","","","0.063","0.0653","","","","","","1.541","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504974","4.8887","0.001","5.7541","0.0011","5.4419","0.0011","90","","116.682","0.01","90","","136.78","0.05","","","293","","","","4.3","","","","","4","P 1 n 1","P -2yac","7","","Epsilon glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","powder diffraction","","0.4654","","","","","","","","","","","0.514","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505012","6.6316","0.0013","28.981","0.006","12.145","0.002","90","","98.24","0.03","90","","2310.1","0.8","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H15 Cl6 Fe N6 -","- C18 H15 Cl6 Fe N6 -","- C72 H60 Cl24 Fe4 N24 -","4","2","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0592","0.0468","","","0.0879","0.0927","","","","","","1.013","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505319","14.023","0.003","10.946","0.003","17.408","0.003","90","","102.47","0.02","90","","2609","1","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H32 Cu F3 N3 O4 -","- C22 H32 Cu F3 N3 O4 -","- C88 H128 Cu4 F12 N12 O16 -","4","2","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0788","0.0502","","","0.1262","0.139","","","","","","0.892","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505321","14.202","0.003","11.245","0.001","16.65","0.002","90","","101.78","0.01","90","","2603","0.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H31 Cu F3 N3 O4 -","- C22 H31 Cu F3 N3 O4 -","- C88 H124 Cu4 F12 N12 O16 -","4","2","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0642","0.0346","","","0.0815","0.0964","","","","","","0.537","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505675","17.1533","0.0006","24.0768","0.0009","23.5407","0.0009","90","","102.194","0.001","90","","9502.9","0.6","90","2","90","2","","","","","","","","5","P 1 n 1","P -2yac","7","C60^.^μ-O[Fe(OEP)]~2~^.^benzene","","","- C138 H94 Fe2 N8 O -","- C138 H94 Fe2 N8 O -","- C552 H376 Fe8 N32 O4 -","4","2","","Lee, Hon Man; Olmstead, Marilyn M.; Gross, Garrett G.; Balch, Alan L.","Cocrystallization of Binuclear Iron(III) Porphyrins with C60: Bending of μ-O{FeIII(Octaethylporphyrin)} and the First Structure of the Iron(III) Octaethyloxophlorin Dimer","Crystal Growth & Design","2003","3","5","691","","10.1021/cg030013z","","","0.71073","MoKα","","0.0819","0.0541","","","0.1139","0.1258","","","","","","1.007","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505798","9.2013","0.0014","10.1824","0.0017","19.267","0.003","90","","103.533","0.003","90","","1755","0.5","298","2","298","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H40 Ag Cl O4 S4 -","- C34 H40 Ag Cl O4 S4 -","- C68 H80 Ag2 Cl2 O8 S8 -","2","1","","Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua","Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands","Crystal Growth & Design","2002","2","4","303","","10.1021/cg025510e","","","0.71073","MoKα","","0.0322","0.0306","","","0.0832","0.0847","","","","","","1.045","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4506806","3.9626","0.0001","6.2888","0.0002","16.5205","0.0005","90","","94.462","0.002","90","","410.44","0.02","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C18 H14 N6 O4 -","2","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Wei, Jia-Jia; Xu, Xiang; Li, Xin-Fa; Liu, Qing-Yan","Noncentrosymmetric Organic Solid and Its Zinc Coordination Polymer with Diamonded Network Prepared from an Ionothermal Reaction: Syntheses, Crystal Structures, and Second-Order Nonlinear Optics Properties","Crystal Growth & Design","2012","12","9","4663","","10.1021/cg300889x","","","0.71073","MoKα","","0.041","0.0331","","","0.0773","0.0832","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507006","9.1404","0.0005","10.8543","0.0005","9.8631","0.0005","90","","104.744","0.001","90","","946.32","0.08","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0238","0.0235","","","0.0638","0.0642","","","","","","1.078","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4508809","11.6615","0.0007","12.1566","0.0007","18.5303","0.0011","90","","99.582","0.001","90","","2590.3","0.3","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C26 H34 N6 O3 -","- C26 H34 N6 O3 -","- C104 H136 N24 O12 -","4","2","","Todd, Adam M.; Anderson, Kirsty M.; Byrne, Peter; Goeta, Andrés E.; Steed, Jonathan W.","Helical or Polar Guest-DependentZ‘ = 1.5 orZ‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate","Crystal Growth & Design","2006","6","8","1750","","10.1021/cg060318o","","","0.71073","MoKα","","0.091","0.0559","","","0.0963","0.1078","","","","","","0.99","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4509380","11.6722","0.0004","11.7171","0.0005","23.2671","0.0009","90","","96.062","0.003","90","","3164.3","0.2","298","2","298","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C56 H70 Cl2 N12 O15 Zn -","- C56 H70 Cl2 N12 O15 Zn -","- C112 H140 Cl4 N24 O30 Zn2 -","2","1","","Chen, Jian-Qiao; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Zhan, Xu-Lin; Zhao, Gang; Zhang, Zhong","Construction of Three-Dimensional Metal−Organic Frameworks with Helical Character through Coordinative and Supramolecular Interactions","Crystal Growth & Design","2009","9","3","1605","","10.1021/cg8013317","","","0.71073","MoKα","","0.0743","0.0549","","","0.1399","0.1529","","","","","","1.023","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4511777","14.1636","0.0008","11.3071","0.0005","18.0536","0.0012","90","","90.216","0.006","90","","2891.2","0.3","98","2","98","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H31 N Ni O P2 -","- C36 H31 N Ni O P2 -","- C144 H124 N4 Ni4 O4 P8 -","4","2","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0397","0.0349","","","0.0857","0.0883","","","","","","1.034","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4512079","12.8375","0.0006","6.4922","0.0003","16.7746","0.0008","90","","93.041","0.001","90","","1396.09","0.11","130","2","130","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C26 H24 Br2 Cu2 S4 -","- C26 H24 Br2 Cu2 S4 -","- C52 H48 Br4 Cu4 S8 -","2","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","","0.0802","0.0451","","","0.0742","0.0841","","","","","","0.919","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512387","8.8259","0.0014","12.51","0.002","9.9956","0.0016","90","","111.405","0.003","90","","1027.5","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C19 H22 Ag N O6 S2 -","- C19 H22 Ag N O6 S2 -","- C38 H44 Ag2 N2 O12 S4 -","2","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0512","0.0497","","","0.1198","0.1225","","","","","","1.073","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4516176","3.8218","0.0002","5.7496","0.0003","27.25","0.0013","90","","93.862","0.005","90","","597.43","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0429","0.039","","","0.0991","0.1018","","","","","","1.081","","","","has coordinates","226167","2020-10-21","18:00:00",""
"4516388","24.67","0.0004","43.4593","0.0008","17.0949","0.0003","90","","97.165","0.001","90","","18185","0.5","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C336 H380.6 N48 O130.3 Pb12 -","- C336 H216 N48 O130.3 Pb12 -","- C672 H432 N96 O260.6 Pb24 -","2","1","","Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios","Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands","Crystal Growth & Design","2015","15","11","5310","","10.1021/acs.cgd.5b00861","","","1.54187","CuKα","","0.0569","0.0544","","","0.1352","0.138","","","","","","1.029","","","","has coordinates","231287","2020-10-21","18:00:00",""
"4517251","10.0298","0.0004","22.4623","0.0008","10.197","0.0004","90","","96.888","0.002","90","","2280.73","0.15","105","","105","","","","","","","","","5","P 1 n 1","P -2yac","7","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one C60 fullerene chlorobenzene solvate","","- C84 H14 Cl O4 P -","- C84 H14 Cl O4 P -","- C168 H28 Cl2 O8 P2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1105","0.0785","","","0.1937","0.2189","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","245510","2020-10-21","18:00:00",""
"4517297","16.66","0.001","15.5656","0.0008","28.2198","0.0016","90","","97.375","0.004","90","","7257.5","0.7","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 n 1","P -2yac","7","","","","- C84 H54 Cl2 P2 Pd -","- C84 H54 Cl2 P2 Pd -","- C336 H216 Cl8 P8 Pd4 -","4","2","","Beránek, Tomáš; Žádný, Jaroslav; Strašák, Tomáš; Karban, Jindřich; Císařová, Ivana; Sýkora, Jan; Storch, Jan","Synthesis of a Helical Phosphine and a Catalytic Study of Its Palladium Complex.","ACS omega","2020","5","1","882","892","10.1021/acsomega.9b03830","","","1.54178","CuKα","","0.2117","0.1004","","","0.2611","0.3273","","","","","","0.97","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4518134","14.16596","0.00004","24.26807","0.00008","21.69468","0.00007","90","","95.347","0.0003","90","","7425.75","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C96 H86 Al B N2 O7 -","- C96 H86 Al B N2 O7 -","- C384 H344 Al4 B4 N8 O28 -","4","2","","Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W.","Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone","ACS Catalysis","2020","","","12537","12543","10.1021/acscatal.0c03492","","x-ray","1.54184","CuKα","","0.0404","0.0393","","","0.1056","0.1066","","","","","","1.03","","","","has coordinates","258343","2020-10-21","18:00:00",""
"4518646","8.1074","0.0004","5.0807","0.0002","10.7183","0.0005","90","","98.981","0.002","90","","436.09","0.03","170","","170","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C4 H2 N5 O6 Rb -","- C4 H2 N5 O6 Rb -","- C8 H4 N10 O12 Rb2 -","2","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c03110","","","0.71073","MoKα","","0.0297","0.0269","","","0.0582","0.06","","","","","","1.081","","","","has coordinates","264729","2021-04-30","21:26:44",""
"4518651","8.1507","0.0007","5.0435","0.0003","10.4445","0.0008","90","","99.428","0.003","90","","423.55","0.05","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C4 H2 K N5 O6 -","- C4 H2 K N5 O6 -","- C8 H4 K2 N10 O12 -","2","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c03110","","","0.71073","MoKα","","0.0284","0.026","","","0.0603","0.0612","","","","","","1.117","","","","has coordinates","264734","2021-04-30","21:29:21",""
"4519403","14.3012","0.0012","8.9089","0.0008","16.767","0.0014","90","","96.005","0.001","90","","2124.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C49 H36 Au2 P2 S4 -","- C49 H36 Au2 P2 S4 -","- C98 H72 Au4 P4 S8 -","2","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","","0.71073","MoKα","","0.013","0.0125","","","0.0272","0.0273","","","","","","0.735","","","","has coordinates","274260","2022-04-03","20:12:02",""
"5000331","12.1746","0.0015","25.535","0.003","19.256","0.002","90","","106.117","0.006","90","","5751","1.2","105","","105","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C52 H53 B F24 O2 P2 Ru -","- C52.0019 H50.5 B F24 O2 P2 Ru -","- C208.007 H202 B4 F96 O8 P8 Ru4 -","4","2","","","","","","","","","","","","","0.71069","MoKα","","","0.0662","","","","0.0625","","","","","","1.2632","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000404","18.094","0.004","23.3","0.005","26.802","0.005","90","","92.88","0.03","90","","11285.4","3.9","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C120 H123 Cl4 Mn6 N3 O16 -","- C120 H120 Cl4 Mn6 N3 O16 -","- C480 H480 Cl16 Mn24 N12 O64 -","4","2","","Bollinger, John C.","","","","","","","","","","","0.71073","MoKα","","0.322","0.1057","","0.226","0.1545","","","","1.241","1.574","1.574","","","","","has coordinates,has disorder","175476","2020-10-21","18:00:00",""
"5000406","15.882","0.002","27.551","0.004","25.358","0.004","90","","90.52","0.011","90","","11095.8","2.7","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C107.5 H101.5 Cl4 Mn6 N0.5 O16 Si -","- C114 H89.5 Cl4 Mn6 N0.5 O17 Si -","- C456 H358 Cl16 Mn24 N2 O68 Si4 -","4","2","","Bollinger, John C.","","","","","","","","","","","0.71073","MoKα","","0.3382","0.1185","","0.2688","0.185","","","","1.114","1.432","1.432","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000412","5.604","0.001","18.56","0.004","10.006","0.002","90","","102.19","0.03","90","","1017.26","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C14 H16 Ca O15 S2 -","- C14 H16 Ca O15 S2 -","- C28 H32 Ca2 O30 S4 -","2","1","","Li, Y.-Q.; Deng, L.-Z.; Zhou, X.-H.; Zhang, S.-H.","The crystal structure and the second harmonic generation efficiency of the sulfosalicylate","Acta Physico-chimica Sinica","1998","14","9","778","783","10.3866/PKU.WHXB19980903","","","","","","0.0244","","","0.032","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000543","11.936","","17.47","","8.3185","","90","","91.12","","90","","1734.26","","","","","","","","","","","","","3","P 1 n 1","","","","","","- O12 P3 Sb2 -","","","","","","Jouanneaux, A.; Verbaere, A.; Guyomard, D.; Piffard, Y.; Oyetola, S.; Fitch, A. N.","SB2 (PO4)3, a new mixed-valence antimony phosphate - preparation and crystal-structure","European Journal of Solid State and Inorganic Chemistry","1991","28","","755","765","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000263","9.5687","0.0006","17.0682","0.0012","11.0296","0.0007","90","","114.313","0.004","90","","1641.6","0.19","173","2","173","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C26 H48 N8 Si2 Sn -","- C26 H48 N8 Si2 Sn -","- C52 H96 N16 Si4 Sn2 -","2","1","","Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.; Uiterweerd, Patrick G. H.","Synthesis and structures of halides and pseudohalides of bis[2,6-bis(dimethylamino)phenyl]tin(IV)","Dalton Transactions","2009","","2","353","361","10.1039/b813353k","","x-ray","0.71073","MoKα","","0.0314","0.0295","","","0.0757","0.077","","","","","","1.079","","","","has coordinates","209571","2020-10-21","18:00:00",""
"7000489","9.1438","0.0007","23.6845","0.0018","13.3075","0.001","90","","95.894","0.001","90","","2866.7","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H35 Cu N5 S2 -","- C29 H35 Cu N5 S2 -","- C116 H140 Cu4 N20 S8 -","4","2","","Allenbaugh, Rachel J.; Rheingold, Arnold L.; Doerrer, Linda H.","Tris(t-butyl)terpyridine-copper(II) complexes and ligand field effects","Dalton Transactions","2009","","7","1155","1163","10.1039/b809894h","","","0.71073","MoKα","","0.0723","0.0521","","","0.1064","0.1184","","","","","","0.993","","","","has coordinates","209565","2020-10-21","18:00:00",""
"7000942","13.228","0.0013","20.306","0.002","18.9627","0.0019","90","","97.224","0.002","90","","5053.1","0.9","173","2","173","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C60 H59 Cl3 F3 Ir N4 O3 S -","- C47 H50 F3 Ir N4 O3 S -","- C188 H200 F12 Ir4 N16 O12 S4 -","4","2","","Jeletic, Matthew S.; Jan, Muhammad T.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","New iridium and rhodium chiral di-N-heterocyclic carbene (NHC) complexes and their application in enantioselective catalysis","Dalton Transactions","2009","","15","2764","2776","10.1039/b819524b","","","0.71073","MoKα","","0.075","0.056","","","0.1154","0.1212","","","","","","0.98","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7001141","12.776","0.004","11.394","0.005","14.508","0.007","90","","95.215","0.005","90","","2103.2","1.5","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H40 Ag3 N7 O16 S2 -","- C36 H40 Ag3 N7 O16 S2 -","- C72 H80 Ag6 N14 O32 S4 -","2","1","","Wu, Hua; Dong, Xian-Wu; Ma, Jian-Fang; Liu, Hai-Yan; Yang, Jin; Bai, Hong-Ye","Influence of anionic sulfonate-containing and nitrogen-containing mixed-ligands on the structures of silver coordination polymers","Dalton Transactions","2009","","17","3162","3174","10.1039/b814942a","","","0.71069","MoKα","","0.049","0.0274","","","0.0467","0.052","","","","","","0.785","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001632","9.428","0.002","10.093","0.003","13.372","0.003","90","","105.29","0.03","90","","1227.4","0.6","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H28 Ag Cl N4 O5 -","- C22 H28 Ag Cl N4 O5 -","- C44 H56 Ag2 Cl2 N8 O10 -","2","1","","Halder, Partha; Zangrando, Ennio; Paine, Tapan Kanti","Self-assembly of silver(i) and bis-bidentate N,N-donor ligands: from a tetranuclear complex to coordination polymers","Dalton Transactions","2009","","27","5386","5394","10.1039/b900581a","","","0.71073","MoKα","","0.0554","0.0363","","","0.0944","0.1054","","","","","","1.014","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7002106","7.9908","0.0005","13.1311","0.0009","8.6289","0.0006","90","","116.064","0.001","90","","813.34","0.09","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C15 H21 Cl2 Ir N2 -","- C15 H21 Cl2 Ir N2 -","- C30 H42 Cl4 Ir2 N4 -","2","1","","da Costa, André Pontes; Sanaú, Mercedes; Peris, Eduardo; Royo, Beatriz","Easy preparation of Cp*-functionalized N-heterocyclic carbenes and their coordination to rhodium and iridium","Dalton Transactions","2009","","35","6960","","10.1039/b901195a","","","0.71073","MoKα","","0.0335","0.0308","","","0.0777","0.079","","","","","","1.248","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002887","9.5091","0.0013","14.454","0.0018","14.6883","0.0014","90","","93.267","0.01","90","","2015.5","0.4","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C19 H17 I2 N3 Pd -","- C19 H17 I2 N3 Pd -","- C76 H68 I8 N12 Pd4 -","4","2","","John, Alex; Shaikh, Mobin M.; Ghosh, Prasenjit","Palladium complexes of abnormal N-heterocyclic carbenes as precatalysts for the much preferred Cu-free and amine-free Sonogashira coupling in air in a mixed-aqueous medium","Dalton Transactions","2009","","47","10581","10591","10.1039/b913068c","","","0.71073","MoKα","","0.0603","0.0469","","","0.1187","0.1387","","","","","","1.047","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7003149","19.643","0.004","14.539","0.003","21.112","0.004","90","","95.6","0.03","90","","6001","2","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C76 H108 As8 Cd3 N16 O63 V13 -","- C76 H64 As8 Cd3 N16 O43 V13 -","- C152 H128 As16 Cd6 N32 O86 V26 -","2","1","","Qi, Yanfei; Li, Yangguang; Wang, Enbo; Zhang, Zhiming; Chang, Song","Metal-controlled self-assembly of arsenic‒vanadium-cluster backbones with organic ligands","Dalton Transactions","2008","","17","2335","2345","10.1039/b713115a","","","0.71073","MoKα","","0.1946","0.0866","","","0.1454","0.1838","","","","","","0.972","","","","has coordinates,has disorder","179735","2020-10-21","18:00:00",""
"7003234","9.1117","0.0001","11.1189","0.0001","22.3721","0.0002","90","","101.374","0.0005","90","","2222.05","0.04","150","","150","","","","","","","","","6","P 1 n 1","P -2yac","7","","Sm(O2NNMe2){N(SiMe3)2}","","- C40 H72 N3 O2 Si2 Sm -","- C40 H72 N3 O2 Si2 Sm -","- C80 H144 N6 O4 Si4 Sm2 -","2","1","","Dyer, Hellen E.; Huijser, Saskia; Schwarz, Andrew D.; Wang, Chao; Duchateau, Robbert; Mountford, Philip","Zwitterionic bis(phenolate)amine lanthanide complexes for the ring-opening polymerisation of cyclic esters","Dalton Transactions","2008","","1","32","","10.1039/b714583g","","","0.71073","MoKα","","0.0364","0.0281","","0.0413","0.0321","0.0321","","","","","","0.9528","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003976","9.1057","0.0019","12.335","0.003","10.325","0.002","90","","107.574","0.003","90","","1105.6","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C24 H34 Li N O2 -","- C24 H34 Li N O2 -","- C48 H68 Li2 N2 O4 -","2","1","","Dureen, Meghan A.; Stephan, Douglas W.","Biphenylamide ligand complexes of Li and Al: hemilabile arene donors?","Dalton Transactions","2008","","35","4723","4731","10.1039/b801772g","","","0.71073","MoKα","","0.0565","0.0489","","","0.1327","0.1393","","","","","","1.011","","","","has coordinates","179743","2020-10-21","18:00:00",""
"7004830","11.5367","0.0001","12.4167","0.0002","23.1596","0.0004","90","","91.422","0.001","90","","3316.54","0.08","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C48 H87 Mn4 N5 O24 -","- C48 H87 Mn4 N5 O24 -","- C96 H174 Mn8 N10 O48 -","2","1","","Huang, Deguang; Zhang, Xiaofeng; Ma, Chengbing; Chen, Hui; Chen, Changneng; Liu, Qiutian; Zhang, Chunxi; Liao, Daizheng; Li, Licun","Aggregation of tetranuclear Mn building blocks with alkali ion. Syntheses, crystal structures and chemical behaviors of monomer, dimer and polymer containing [Mn4(mu3-O)2]8+ units.","Dalton transactions (Cambridge, England : 2003)","2007","","6","680","688","10.1039/b609948c","","","0.71073","MoKα","","0.0811","0.0615","","","0.1278","0.1499","","","","","","1.283","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7005010","9.446","0.0002","16.495","0.0003","13.462","0.0003","90","","90.274","0.001","90","","2097.51","0.07","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C27.9 H49.8 Fe N2 O17.3 P4 S -","- C27.9 H49.8 Fe N2 O17.3 P4 S -","- C55.8 H99.6 Fe2 N4 O34.6 P8 S2 -","2","1","","Burrows, Andrew D.; Dodds, Deborah; Kirk, Andrew S.; Lowe, John P.; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.","Substitution and derivatization reactions of a water soluble iron(II) complex containing a self-assembled tetradentate phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","5","570","580","10.1039/b614726g","","","0.71073","MoKα","","0.0686","0.0599","","","0.1251","0.1281","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005728","8.182","0.0006","6.818","0.0003","12.445","0.0008","90","","104.171","0.003","90","","673.12","0.07","120","2","120","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H8 Cl2 N2 O2 Os -","- C12 H8 Cl2 N2 O2 Os -","- C24 H16 Cl4 N4 O4 Os2 -","2","1","","Jakonen, Minna; Hirva, Pipsa; Haukka, Matti; Chardon-Noblat, Sylvie; Lafolet, Frédéric; Chauvin, Jérôme; Deronzier, Alain","An alternative synthesis method for [Os(NN)(CO)(2)X(2)] complexes (NN = 2,2'-bipyridine, 4,4'-dimethyl-2,2'-bipyridine; X = Cl, Br, I). Electrochemical and photochemical properties and behavior.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3314","3324","10.1039/b704931e","","","0.71073","MoKα","","0.0347","0.0307","","","0.0625","0.0634","","","","","","1.109","","","","has coordinates","179761","2020-10-21","18:00:00",""
"7005731","8.2462","0.0004","6.9197","0.0002","12.6228","0.0004","90","","102.933","0.003","90","","702","0.05","120","2","120","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H8 Br2 N2 O2 Os -","- C12 H8 Br2 N2 O2 Os -","- C24 H16 Br4 N4 O4 Os2 -","2","1","","Jakonen, Minna; Hirva, Pipsa; Haukka, Matti; Chardon-Noblat, Sylvie; Lafolet, Frédéric; Chauvin, Jérôme; Deronzier, Alain","An alternative synthesis method for [Os(NN)(CO)(2)X(2)] complexes (NN = 2,2'-bipyridine, 4,4'-dimethyl-2,2'-bipyridine; X = Cl, Br, I). Electrochemical and photochemical properties and behavior.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3314","3324","10.1039/b704931e","","","0.71073","MoKα","","0.031","0.0255","","","0.0442","0.0457","","","","","","0.922","","","","has coordinates","179761","2020-10-21","18:00:00",""
"7005732","8.417","0.0004","7.0934","0.0004","13.1254","0.0006","90","","101.737","0.004","90","","767.27","0.07","120","2","120","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H8 I2 N2 O2 Os -","- C12 H8 I2 N2 O2 Os -","- C24 H16 I4 N4 O4 Os2 -","2","1","","Jakonen, Minna; Hirva, Pipsa; Haukka, Matti; Chardon-Noblat, Sylvie; Lafolet, Frédéric; Chauvin, Jérôme; Deronzier, Alain","An alternative synthesis method for [Os(NN)(CO)(2)X(2)] complexes (NN = 2,2'-bipyridine, 4,4'-dimethyl-2,2'-bipyridine; X = Cl, Br, I). Electrochemical and photochemical properties and behavior.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3314","3324","10.1039/b704931e","","","0.71073","MoKα","","0.0363","0.026","","","0.0386","0.0407","","","","","","0.835","","","","has coordinates","179761","2020-10-21","18:00:00",""
"7005969","8.993","0.0018","9.1411","0.0018","16.002","0.003","90","","99.17","0.03","90","","1298.6","0.5","294","2","294","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C24 H20 F6 Mn N6 O2 P -","- C24 H20 F6 Mn N6 O2 P -","- C48 H40 F12 Mn2 N12 O4 P2 -","2","1","","Hazra, Sumita; Naskar, Subhendu; Mishra, Dipankar; Gorelsky, Serge I.; Figgie, Heike M.; Sheldrick, William S.; Chattopadhyay, Shyamal Kumar","Synthesis, X-ray crystal structure and DFT calculations of bis(N-(2-picolyl)picolinamido)Mn(iii) hexafluorophosphate","Dalton Transactions","2007","","37","4143","","10.1039/b707229e","","","0.71073","MoK\α","","0.1452","0.0752","","","0.1702","0.2","","","","","","0.947","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7006190","16.5213","0.0008","24.6857","0.0012","18.3754","0.0008","90","","90.094","0.002","90","","7494.2","0.6","160","2","160","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C58 H121 N3 O19 Ti W5 -","- C58 H121 N3 O19 Ti W5 -","- C232 H484 N12 O76 Ti4 W20 -","4","2","","Errington, R. John; Petkar, Sagar S.; Middleton, Paul S.; McFarlane, William; Clegg, William; Coxall, Robert A.; Harrington, Ross W.","Non-aqueous synthetic methodology for TiW(5) polyoxometalates: protonolysis of [(MeO)TiW(5)O(18)](3-) with alcohols, water and phenols.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5211","5222","10.1039/b709732h","","","0.71073","MoKα","","0.0992","0.0888","","","0.2031","0.2073","","","","","","1.178","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006205","9.3467","0.0005","15.5678","0.0009","12.3442","0.0007","90","","98.967","0.003","90","","1774.22","0.17","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C40 H35 N5 P2 Pt -","- C40 H35 N5 P2 Pt -","- C80 H70 N10 P4 Pt2 -","2","1","","Mukhopadhyay, Suman; Lasri, Jamal; Januário Charmier, M. Adília; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Microwave synthesis of mono- and bis-tetrazolato complexes via 1,3-dipolar cycloaddition of organonitriles with platinum(ii)-bound azides","Dalton Transactions","2007","","45","5297","","10.1039/b709959b","","","0.71069","MoKα","","0.0324","0.0271","","","0.0501","0.0515","","","","","","0.963","","","","has coordinates","179766","2020-10-21","18:00:00",""
"7006534","13.1223","0.0018","13.2643","0.0012","18.473","0.002","90","","108.728","0.015","90","","3045.1","0.7","183","2","183","2","","","","","","","","8","P 1 n 1","P -2yac","7","","Nitrosyl-penta(trimethylphosphine)molybdenum tetrakis[bis(3,5-trifluoromethyl)phenyl]borane","","- C47 H57 B F24 Mo N O P5 -","- C47 H57 B F24 Mo N O P5 -","- C94 H114 B2 F48 Mo2 N2 O2 P10 -","2","1","","Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz","Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).","Dalton transactions (Cambridge, England : 2003)","2006","","1","73","85","10.1039/b511797f","","","0.71073","MoKα","","0.1017","0.0611","","","0.1474","0.1637","","","","","","0.869","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006909","9.751","0.0011","9.8157","0.001","17.518","0.002","90","","100.306","0.002","90","","1649.6","0.3","295","2","295","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H48 Mo N10 -","- C28 H48 Mo N10 -","- C56 H96 Mo2 N20 -","2","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.056","0.0356","","","0.0649","0.0705","","","","","","0.94","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006910","9.742","0.002","9.821","0.002","17.521","0.004","90","","100.24","0.005","90","","1649.6","0.6","295","2","295","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H48 N10 W -","- C28 H48 N10 W -","- C56 H96 N20 W2 -","2","1","","El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.","Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1943","1953","10.1039/b515378f","","","0.71073","MoKα","","0.0304","0.0252","","","0.0558","0.0575","","","","","","1.026","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006934","6.4295","0.0017","7.0606","0.0019","22.987","0.006","90","","90.097","0.005","90","","1043.5","0.5","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C9 H14 N2 O2 S -","- C9 H14 N2 O2 S -","- C36 H56 N8 O8 S4 -","4","2","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.042","0.0368","","","0.0718","0.0734","","","","","","0.996","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7008135","5.7084","0.0005","6.5938","0.0004","15.3455","0.001","90","","91.693","0.006","90","","577.35","0.07","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","1","","Ghumaan, Sandeep; Sarkar, Biprajit; Patra, Srikanta; Parimal, Kumar; van Slageren, Joris; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","3,6-bis(2'-pyridyl)pyridazine (L) and its deprotonated form (L - H+)- as ligands for {(acac)2Ru(n+)} or {(bpy)2Ru(m+)}: investigation of mixed valency in [{(acac)2Ru}2(mu-L - H+)]0 and [{(bpy)2Ru}2(mu-L - H+)]4+ by spectroelectrochemistry and EPR.","Dalton transactions (Cambridge, England : 2003)","2005","","4","706","712","10.1039/b417530a","","","0.7093","MoKα","","0.0588","0.0322","","","0.0787","0.0888","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008708","11.259","0.003","13.222","0.004","12.012","0.003","90","","92.45","0.02","90","","1786.5","0.8","293","","293","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C20 H46 I3 Li N2 O3 Si2 U -","- C20 H46 I3 Li N2 O3 Si2 U -","- C40 H92 I6 Li2 N4 O6 Si4 U2 -","2","1","","Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.","Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide ""ate"" complexes and their conversion to salt-free bis(alkyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3083","3091","10.1039/b506180f","","","0.709","MoKα","","0.1241","0.0337","","0.0468","0.038","0.038","","","","","","1.0276","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008790","8.1931","0.0009","12.2373","0.0018","15.4579","0.0017","90","","97.128","0.009","90","","1537.9","0.3","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H36 N4 P2 Pt S2 -","- C26 H36 N4 P2 Pt S2 -","- C52 H72 N8 P4 Pt2 S4 -","2","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.0379","0.0319","","","0.0785","0.0823","","","","","","1.081","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7009525","10.249","0.005","10.628","0.004","17.289","0.005","90","","100.76","0.03","90","","1850.1","1.3","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","","tris(nitrato-O,O')bis(triphenylphosphineoxide)scandium(III)","","- C36 H30 N3 O11 P2 Sc -","- C36 H30 N3 O11 P2 Sc -","- C72 H60 N6 O22 P4 Sc2 -","2","1","","Deakin, Lucy; Levason, William; Popham, Michael C.; Reid, Gillian; Webster, Michael","Syntheses, structures and multinuclear NMR (45Sc, 89Y, 31P) studies of Ph3PO, Ph2MePO and Me3PO complexes of scandium and yttrium nitrates","Journal of the Chemical Society, Dalton Transactions","2000","","14","2439","","10.1039/b001669l","","","0.71073","MoKα","","0.1084","0.0515","","","0.1268","0.1546","","","","","","1.03","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7011216","11.163","0.003","17.485","0.004","11.486","0.003","90","","91.452","0.005","90","","2241.2","1","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C20 H20 Ag Cl N3 O4 P -","- C20 H20 Ag Cl N3 O4 P -","- C80 H80 Ag4 Cl4 N12 O16 P4 -","4","2","","Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak","Synthesis and structural study of late transition metal complexes of N-[(diphenylphosphino)methyl]-2-pyridinamine and N-cyclohexyl-N-[(diphenylphosphino)methyl]-2-pyridinamine","J. Chem. Soc., Dalton Trans.","2002","","7","1336","1343","10.1039/b109191n","","","0.71073","MoKα","","0.0786","0.0487","","","0.1219","0.1349","","","","","","0.944","","","","has coordinates","179816","2020-10-21","18:00:00",""
"7011420","15.6128","0.0002","27.9023","0.0005","15.8641","0.0003","90","","92.3899","0.0014","90","","6904.9","0.2","150","1","150","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C63 H50 Cl9 Co5 N20 O4 -","- C63 H50 Cl9 Co5 N20 O4 -","- C252 H200 Cl36 Co20 N80 O16 -","4","2","","Yeh, Chen-Yu; Chou, Chung-Hsien; Pan, Kun-Chih; Wang, Chih-Chieh; Lee, Gene-Hsiang; Su, Y. Oliver; Peng, Shie-Ming","Linear pentacobalt complexes: synthesis, structures, and physical properties of neutral and one-electron oxidation compounds","Journal of the Chemical Society, Dalton Transactions","2002","","13","2670","","10.1039/b111462j","","","0.71073","MoKα","","0.117","0.0786","","","0.1921","0.2241","","","","","","1.122","","","","has coordinates,has disorder","179818","2020-10-21","18:00:00",""
"7011846","8.6367","0.0002","16.8457","0.0004","11.5033","0.0002","90","","90.01","0.002","90","","1673.63","0.06","123","2","123","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H8 Fe N8 -","- C14 H8 Fe N8 -","- C56 H32 Fe4 N32 -","4","2","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/","Journal of the Chemical Society, Dalton Transactions","2002","","19","3712","","10.1039/b205007b","","","0.71073","MoKα","","0.0406","0.0315","","","0.0674","0.0711","","","","","","1.03","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011848","8.5824","0.0003","16.7687","0.0007","11.4092","0.0004","90","","90.068","0.003","90","","1641.96","0.11","123","2","123","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H8 Co N8 -","- C14 H8 Co N8 -","- C56 H32 Co4 N32 -","4","2","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/","Journal of the Chemical Society, Dalton Transactions","2002","","19","3712","","10.1039/b205007b","","","0.71073","MoKα","","0.1218","0.0606","","","0.0824","0.0967","","","","","","0.982","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7012255","11.828","0.002","17.039","0.004","15.706","0.003","90","","109.784","0.004","90","","2978.5","1","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C59 H68 N10 O13 Zn4 -","- C59 H68 N10 O13 Zn4 -","- C118 H136 N20 O26 Zn8 -","2","1","","Fondo, Matilde; García-Deibe, Ana M.; Bermejo, Manuel R.; Sanmartín, Jesús; Llamas-Saiz, Antonio L.","Spontaneous carbon dioxide fixation: a µ4-carbonate bridged tetranuclear zinc(ii) complex of a heptadentate Schiff base","Journal of the Chemical Society, Dalton Transactions","2002","","24","4746","","10.1039/b209328f","","x-ray","0.71073","MoKα","","0.0668","0.0499","","","0.1184","0.132","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012347","14.8844","0.001","12.5582","0.0008","16.5916","0.0011","90","","112.729","0.001","90","","2860.5","0.3","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H70 N8 O29 Re6 -","- C36 H60 N8 O29 Re6 -","- C72 H120 N16 O58 Re12 -","2","1","","David Farrell; Karsten Gloe; Kerstin Gloe; Gudrun Goretzki; Vickie McKee; Jane Nelson; Mark Nieuwenhuyzen; Ibolya Pál; Holger Stephan; Raewyn M. Town; Kathrin Wichmann","Towards promising oxoanion extractants: azacages and open-chain counterparts","Dalton Trans.","2003","","10","1961","1968","10.1039/b210289g","","","0.71073","MoKα","","0.0695","0.0577","","","0.1623","0.1714","","","","","","1.015","","","","has coordinates","179827","2020-10-21","18:00:00",""
"7012887","10.668","0.002","5.5754","0.0009","13.323","0.002","90","","111.963","0.015","90","","734.9","0.2","293","","293","","","","","","","","?","6","P 1 n 1","P -2yac","7","","","","- C16 H10 Ag Cl N2 O4 -","- C16 H10 Ag Cl N2 O4 -","- C32 H20 Ag2 Cl2 N4 O8 -","2","1","","Haftbaradaran, Farzad; Draper, Neil D.; Leznoff, Daniel B.; Williams, Vance E.","Strained silver(i) coordination polymers of 1,4-diazatriphenylene","Dalton Transactions","2003","","11","2105","","10.1039/b302264a","","","0.7093","MoKα","","","0.0397","","","","0.0413","","","","","","1.1992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012962","8.042","0.004","11.948","0.007","14.985","0.006","90","","100.4","0.01","90","","1416.2","1.2","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H33 N6 Nd O9 -","- C27 H27 N6 Nd O9 -","- C54 H54 N12 Nd2 O18 -","2","1","","Christelle Gateau; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; Lothar Helm","Solid-state and solution properties of the lanthanide complexes of a new nonadentate tripodal ligand derived from 1,4,7-triazacyclononane","Dalton Trans.","2003","","12","2428","2433","10.1039/b303079b","","","0.71073","MoKα","","0.0724","0.0414","","","0.0854","0.0929","","","","","","0.995","","","","has coordinates","179833","2020-10-21","18:00:00",""
"7012963","7.9946","0.0018","11.947","0.003","14.884","0.003","90","","99.953","0.015","90","","1400.2","0.6","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H33 Eu N6 O9 -","- C27 H33 Eu N6 O9 -","- C54 H66 Eu2 N12 O18 -","2","1","","Christelle Gateau; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; Lothar Helm","Solid-state and solution properties of the lanthanide complexes of a new nonadentate tripodal ligand derived from 1,4,7-triazacyclononane","Dalton Trans.","2003","","12","2428","2433","10.1039/b303079b","","","0.71073","MoKα","","0.0295","0.0225","","","0.0439","0.0449","","","","","","0.932","","","","has coordinates","179833","2020-10-21","18:00:00",""
"7012964","8.0251","0.0007","11.9508","0.0011","14.9011","0.0013","90","","99.992","0.002","90","","1407.4","0.2","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H33 Gd N6 O9 -","- C27 H27 Gd N6 O9 -","- C54 H54 Gd2 N12 O18 -","2","1","","Christelle Gateau; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; Lothar Helm","Solid-state and solution properties of the lanthanide complexes of a new nonadentate tripodal ligand derived from 1,4,7-triazacyclononane","Dalton Trans.","2003","","12","2428","2433","10.1039/b303079b","","","0.71073","MoKα","","0.0452","0.0349","","","0.0786","0.0903","","","","","","1.033","","","","has coordinates","179833","2020-10-21","18:00:00",""
"7012965","8.0084","0.0006","11.8544","0.0009","14.8334","0.0012","90","","99.694","0.001","90","","1388.1","0.19","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H33 Lu N6 O9 -","- C27 H27 Lu N6 O9 -","- C54 H54 Lu2 N12 O18 -","2","1","","Christelle Gateau; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; Lothar Helm","Solid-state and solution properties of the lanthanide complexes of a new nonadentate tripodal ligand derived from 1,4,7-triazacyclononane","Dalton Trans.","2003","","12","2428","2433","10.1039/b303079b","","","0.71073","MoKα","","0.0437","0.0316","","","0.0644","0.0775","","","","","","1.008","","","","has coordinates","179833","2020-10-21","18:00:00",""
"7013485","10.957","0.002","18.642","0.003","16.593","0.003","90","","90.94","0.02","90","","3388.8","1","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H48 Cr N3 O3 -","- C36 H48 Cr N3 O3 -","- C144 H192 Cr4 N12 O12 -","4","2","","Gibson, Vernon C.; Newton, Claire; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Low valent chromium complexes bearing N,O-chelating pyridyl-enolate ligands [OC(But)(?2-CHN5H3Me-x)]?�(x?=?3?6)","Dalton Transactions","2003","","24","4612","","10.1039/b308881m","","","1.54178","CuKα","","0.1097","0.0881","","0.2414","0.2169","","","","1.031","1.051","1.051","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014766","16.2199","0.0008","24.6037","0.0012","26.3241","0.0013","90","","90.22","0.001","90","","10505.1","0.9","130","2","130","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C78 H147.5 Fe2 N3 O36.25 Zr6 -","- C78 H147 Fe2 N3 O36.25 Zr6 -","- C312 H588 Fe8 N12 O145 Zr24 -","4","2","","Malaestean, Iurii L.; Speldrich, Manfred; Ellern, Arkady; Baca, Svetlana G.; Kögerler, Paul","Heterometal expansion of oxozirconium carboxylate clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","331","333","10.1039/c0dt01136c","","","0.71073","MoKα","","0.0547","0.0387","","","0.0683","0.071","","","","","","0.827","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016174","7.877","0.0006","13.3222","0.001","14.8577","0.0011","90","","101.953","0.001","90","","1525.3","0.2","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","1476 (Cu(SPN-iPr)2)PF6 at 100K","","","- C22 H38 Cu F6 N4 P3 S2 -","- C22 H38 Cu F6 N4 P3 S2 -","- C44 H76 Cu2 F12 N8 P6 S4 -","2","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0421","0.0396","","","0.102","0.1049","","","","","","1.055","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7017188","7.2737","0.0015","10.6471","0.0018","11.3778","0.0015","90","","94.181","0.003","90","","878.8","0.3","90","2","90","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C18 H19 B F4 N4 Ni -","- C18 H19 B F4 N4 Ni -","- C36 H38 B2 F8 N8 Ni2 -","2","1","","Sanyal, Rajni; Cameron, Scott A.; Brooker, Sally","Synthesis and complexes of an N(4) Schiff-base macrocycle derived from 2,2'-iminobisbenzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12277","12287","10.1039/c1dt10730e","","","0.71073","MoKα","","0.0828","0.0504","","","0.1048","0.1169","","","","","","1.014","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017398","14.2584","0.0009","19.0279","0.0012","17.548","0.002","90","","91.14","0.01","90","","4760","0.7","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C50 H73 N O5 V -","- C50 H73 N O5 V -","- C200 H292 N4 O20 V4 -","4","2","","Kajiwara, Takashi; Wagner, Rita; Bill, Eckhard; Weyhermüller, Thomas; Chaudhuri, Phalguni","Non-oxo 5-coordinate and 6-coordinate vanadium(iv) complexes with their precursor [LV(III)(CH(3)OH)](0), where L = a trianionic aminetris(phenolate)-[N,O,O,O] donor ligand: a magnetostructural and EPR study.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12719","12726","10.1039/c1dt11277e","","","0.71073","MoKα","","0.0953","0.067","","","0.1319","0.1443","","","","","","1.038","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7018398","6.0511","0.001","10.2131","0.0018","17.919","0.003","90","","94.693","0.014","90","","1103.7","0.3","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H18 Cl2 Fe N2 O2 -","- C26 H18 Cl2 Fe N2 O2 -","- C52 H36 Cl4 Fe2 N4 O4 -","2","1","","Mathur, Pradeep; Joshi, Raj Kumar; Rai, Dhirendra Kumar; Jha, Badrinath; Mobin, Shaikh M.","One pot synthesis of maleimide and hydantoin by Fe(CO)(5) catalyzed [2 + 2 + 1] co-cyclization of acetylene, isocyanate and CO.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5045","5054","10.1039/c2dt11942k","","","0.71073","MoKα","","0.0675","0.0577","","","0.1388","0.1421","","","","","","1.003","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018510","13.097","0.004","5.786","0.002","13.138","0.005","90","","98.005","0.004","90","","985.9","0.6","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C14 H8 Cl O11 P2 Zn4 -","- C14 H8 Cl O11 P2 Zn4 -","- C28 H16 Cl2 O22 P4 Zn8 -","2","1","","Chen, Zhenxia; Yang, Haiyang; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","Metal complexes as templates: syntheses, structures, and luminescent properties of two zinc phosphonocarboxylates with ABW-zeolite topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4079","4083","10.1039/c2dt12060g","","","0.71073","MoKα","","0.0394","0.0338","","","0.0747","0.0764","","","","","","0.999","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7019665","14.1623","0.0012","11.1055","0.0008","19.3952","0.0017","90","","91.551","0.005","90","","3049.3","0.4","92","2","92","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H58.5 Cl4 N13.5 Ni2 O16 -","- C51 H58.5 Cl4 N13.5 Ni2 O16 -","- C102 H117 Cl8 N27 Ni4 O32 -","2","1","","Gobeze, Worku A.; Milway, Victoria A.; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally","Solvent control: dinuclear versus tetranuclear complexes of a bis-tetradentate pyrimidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9708","9721","10.1039/c2dt12449a","","","0.71073","MoKα","","0.0639","0.0504","","","0.1143","0.124","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020433","7.9299","0.0004","9.382","0.0005","9.999","0.0005","90","","91.489","0.001","90","","743.66","0.07","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C9 H19 Cl N2 O2 S2 Si -","- C9 H19 Cl N2 O2 S2 Si -","- C18 H38 Cl2 N4 O4 S4 Si2 -","2","1","","Kalashnikova, Natalia A.; Bylikin, Sergey Yu; Korlyukov, Aleksander A.; Shipov, Aleksander G.; Baukov, Yuri I.; Taylor, Peter G.; Bassindale, Alan R.","Cationic complexes of silicon and germanium with (O,S)-chelate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12681","12682","10.1039/c2dt31554h","","","0.71073","MoKα","","0.0297","0.0289","","","0.0643","0.0649","","","","","","1.021","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020632","8.222","0.0003","9.0601","0.0003","18.3261","0.0007","90","","99.563","0.002","90","","1346.18","0.08","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C30 H36 B N S Si -","- C30 H36 B N S Si -","- C60 H72 B2 N2 S2 Si2 -","2","1","","Rao, Ying-Li; Amarne, Hazem; Lu, Jia-Sheng; Wang, Suning","Impact of a dithienyl unit on photostability of N,C-chelating boron compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","638","644","10.1039/c2dt31370g","","","0.71073","MoKα","","0.0937","0.0534","","","0.0954","0.1103","","","","","","0.996","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7021180","8.7895","0.0003","12.8229","0.0005","11.1763","0.0005","90","","94.308","0.002","90","","1256.09","0.09","296","2","296","2","","","","","","","Synthesised","6","P 1 n 1","P -2yac","7","","","","- C20 H22 Cl2 Cu N5 O9 -","- C20 H22 Cl2 Cu N5 O9 -","- C40 H44 Cl4 Cu2 N10 O18 -","2","1","","Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab","Nitric oxide reactivity of Cu(ii) complexes of tetra- and pentadentate ligands: structural influence in deciding the reduction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5731","5739","10.1039/c3dt32580f","","x-ray","0.71073","MoKα","","0.0719","0.0454","","","0.1098","0.1192","","","","","","0.906","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7023423","11.4198","0.001","11.2035","0.001","16.8429","0.0013","90","","106.532","0.002","90","","2065.8","0.3","90","0.1","90","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C47 H35 Cl3 Ir N2 P S3 -","- C47 H35 Cl3 Ir N2 P S3 -","- C94 H70 Cl6 Ir2 N4 P2 S6 -","2","1","","Moore, Stephanie A.; Davies, David L.; Karim, Marcus M.; Nagle, Jeffrey K.; Wolf, Michael O.; Patrick, Brian O.","Photophysical behaviour of cyclometalated iridium(III) complexes with phosphino(terthiophene) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12354","12363","10.1039/c3dt51320c","","","0.71073","MoKα","","0.0361","0.0281","","","0.0489","0.0515","","","","","","0.874","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023757","8.7743","0.0007","14.8192","0.0013","13.3856","0.0012","90","","91.358","0.01","90","","1740","0.3","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H44 Cl2 Rh2 S2 -","- C34 H44 Cl2 Rh2 S2 -","- C68 H88 Cl4 Rh4 S4 -","2","1","","Gupta, Gajendra; Garci, Amine; Murray, Benjamin S.; Dyson, Paul J.; Fabre, Gabin; Trouillas, Patrick; Giannini, Federico; Furrer, Julien; Süss-Fink, Georg; Therrien, Bruno","Synthesis, molecular structure, computational study and in vitro anticancer activity of dinuclear thiolato-bridged pentamethylcyclopentadienyl Rh(iii) and Ir(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15457","15463","10.1039/c3dt51991k","","","0.71073","MoKα","","0.0455","0.0313","","","0.0752","0.0872","","","","","","1","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7024159","15.4345","0.0008","15.2808","0.0008","19.7039","0.001","90","","102.408","0.001","90","","4538.6","0.4","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H24 Co F36 K2 O10 -","- C28.015 H24 Co F36 K2 O10 -","- C112.06 H96 Co4 F144 K8 O40 -","4","2","","Cantalupo, Stefanie A.; Lum, June S.; Buzzeo, Marisa C.; Moore, Curtis; DiPasquale, Antonio G.; Rheingold, Arnold L.; Doerrer, Linda H.","Three-coordinate late transition metal fluorinated alkoxide complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","374","383","10.1039/b911758j","","","0.71073","MoKα","","0.0471","0.0393","","","0.0874","0.0921","","","","","","1.035","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7025504","7.3364","0.0002","16.5933","0.0004","14.1016","0.0003","90","","98.674","0.001","90","","1697.03","0.07","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C20 H19 N5 -","- C20 H19 N5 -","- C80 H76 N20 -","4","2","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Chemical switching behaviour of tricarbonylrhenium(I) complexes of a new redox active 'pincer' ligand.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3167","3169","10.1039/c001344g","","","1.54178","CuKα","","0.0292","0.0282","","","0.0731","0.0738","","","","","","0.985","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025540","16.371","0.001","17.856","0.0011","16.5595","0.0011","90","","108.926","0.001","90","","4579","0.5","298","2","298","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C72 H100 Co2 F3 O29 P8 Ru S2 Ti2 -","- C72 H55 Co2 F3 O29 P8 Ru S2 Ti2 -","- C144 H110 Co4 F6 O58 P16 Ru2 S4 Ti4 -","2","1","","Yi, Xiao-Yi; Sung, Herman H. Y.; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung","Heterometallic Ti(IV)-Ru(II) and Ti(IV)-Re(I) sulfato complexes containing the Kläui tripodal ligand [(eta5-C5H5)Co{P(O)(OEt)2}3]-.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5737","5741","10.1039/c001604g","","","0.71073","MoKα","","0.0339","0.0319","","","0.0825","0.0838","","","","","","1.043","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7027457","8.5256","0.0005","15.5111","0.0009","10.8567","0.0006","90","","101.176","0.001","90","","1408.48","0.14","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C20 H44 Cl2 Cu N4 O10 -","- C20 H44 Cl2 Cu N4 O10 -","- C40 H88 Cl4 Cu2 N8 O20 -","2","1","","Aneetha, Halikhedkar; Lai, Ying-Huang; Lin, Shih-Chi; Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chung, Chung-Sun","Copper(II) complexes of tetraaza macrocycles bearing pendant arms: syntheses, structures and properties","Journal of the Chemical Society, Dalton Transactions","1999","","16","2885","","10.1039/a902955i","","","0.71073","MoKα","","0.0529","0.0496","","","0.1325","0.1369","","","","","","1.054","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7027665","7.402","0.005","11.785","0.005","12.52","0.004","90","","96.01","0.04","90","","1086.1","0.9","493.2","","493.2","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C14 H33 I2 O P2 Rh -","- C14 H33 I2 O P2 Rh -","- C28 H66 I4 O2 P4 Rh2 -","2","1","","Rankin, Joanne; Benyei, Attila C.; Poole, Andrew D.; Cole-Hamilton, David J.","The carbonylation of methanol catalysed by [RhI(CO)(PEt3)2]; crystal and molecular structure of [RhMeI2(CO)(PEt3)2] †","Journal of the Chemical Society, Dalton Transactions","1999","","21","3771","","10.1039/a905308e","","","0.7107","MoKalpha","","","0.0263","","","0.0272","","","","","4.042","4.042","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028211","7.5005","0.0015","11.811","0.002","11.636","0.002","90","","91.154","0.003","90","","1030.6","0.3","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H7 F5 N2 O2 V2 -","- C7 H7 F5 N2 O2 V2 -","- C28 H28 F20 N8 O8 V8 -","4","2","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.7749","synchrotron","","0.1104","0.0492","","","0.0857","0.1029","","","","","","0.939","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7030170","13.4895","0.0003","10.0544","0.0003","32.9607","0.0009","90","","96.806","0.003","90","","4438.9","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C103.35 H85.69 B2 Cl3.35 Fe2 N13 O2 -","- C103.348 H85.696 B2 Cl3.348 Fe2 N13 O2 -","- C206.696 H171.392 B4 Cl6.696 Fe4 N26 O4 -","2","1","","Baum, Amanda E.; Park, Heaweon; Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Structural, spectroscopic, and electrochemical properties of nonheme Fe(II)-hydroquinonate complexes: synthetic models of hydroquinone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12244","12253","10.1039/c2dt31504a","","","1.5418","CuKα","","0.0821","0.0638","","","0.1662","0.1826","","","","","","1.024","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7032216","8.4786","0.0011","16.651","0.002","15.444","0.002","90","","92.841","0.002","90","","2177.7","0.5","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C38 H46 N8 O8 Ru2 Zn -","- C38 H46 N8 O8 Ru2 Zn -","- C76 H92 N16 O16 Ru4 Zn2 -","2","1","","Yoshida, Jun; Sugawara, Keisuke; Yuge, Hidetaka; Okabayashi, Jun","Bis(acetylacetonato)bis(pyrazolato)ruthenate(iii) as a redox-active scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16066","16073","10.1039/c4dt02331e","","","0.71073","MoKα","","0.0719","0.0418","","","0.0655","0.0758","","","","","","0.966","","","","has coordinates,has disorder","180028","2020-10-21","18:00:00",""
"7034651","11.2372","0.0006","14.505","0.0008","16.5974","0.0009","90","","92.909","0.003","90","","2701.8","0.3","200","2","200","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C44.5 H60 Cl0.5 Co3 N13.5 O5 S4.5 -","- C44.5 H60 Cl0.5 Co3 N13.5 O5 S4.5 -","- C89 H120 Cl Co6 N27 O10 S9 -","2","1","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.095","0.0562","","","0.1036","0.1163","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034965","4.043","0.005","14.545","0.005","12.082","0.005","90","0.005","95.877","0.005","90","0.005","706.8","1","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C13 H8 Br3 Cu N2 O -","- C13 H8 Br3 Cu N2 O -","- C26 H16 Br6 Cu2 N4 O2 -","2","1","","Wang, Lianke; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Crystal structures of benzoxazolyl-copper(iii,ii,i) complexes and investigation of Cu(ii)-mediated aryl carbon-hydrogen bromination.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9921","9926","10.1039/c5dt01090j","","","0.71069","MoKα","","0.0263","0.0232","","","0.0481","0.049","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035177","6.5515","0.0001","6.8589","0.0001","8.2427","0.0001","90","","90.063","0.001","90","","370.394","0.009","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Ge Li2 Se4 Zn -","- Ge Li2 Se4 Zn -","- Ge2 Li4 Se8 Zn2 -","2","1","","Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Sinagra, Charles W.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.","Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11212","11222","10.1039/c5dt01635e","","","0.71073","MoKα","","0.0335","0.0328","","","0.0802","0.0806","","","","","","1.149","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035178","6.6848","0.0001","7.0303","0.0001","8.3234","0.0001","90","","90.05","0.001","90","","391.168","0.009","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Li2 Se4 Sn Zn -","- Li2 Se4 Sn Zn -","- Li4 Se8 Sn2 Zn2 -","2","1","","Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Sinagra, Charles W.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.","Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11212","11222","10.1039/c5dt01635e","","","0.71073","MoKα","","0.0139","0.0138","","","0.0335","0.0336","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036234","15.42","0.002","13.0283","0.0015","16.333","0.002","90","","109.541","0.0019","90","","3092.2","0.7","93","","93","","","","","","","","","7","P 1 n 1","P -2yac","7","","7","","- C68 H41 B F28 Ir N O -","- C68 H41 B F28 Ir N O -","- C136 H82 B2 F56 Ir2 N2 O2 -","2","1","","Ikeda, Yousuke; Kodama, Shintaro; Tsuchida, Noriko; Ishii, Youichi","Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17448","17452","10.1039/c5dt02207j","","","0.71075","MoKα","","","0.0668","","","","0.1917","","","","","","1.033","","","","has coordinates","161904","2020-10-21","18:00:00",""
"7037064","10.3766","0.0002","17.8561","0.0004","15.0102","0.0004","90","","106.596","0.001","90","","2665.32","0.11","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H22 B F10 N -","- C29 H22 B F10 N -","- C116 H88 B4 F40 N4 -","4","2","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","1.54178","CuKα","","0.04","0.0319","","","0.0694","0.0731","","","","","","1.035","","","","has coordinates","171140","2020-10-21","18:00:00",""
"7037228","6.8158","0.0016","12.78","0.003","15.038","0.003","90","","92.125","0.014","90","","1309","0.5","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","dh_152b","Complex 1","","- C20 H34 Cl Co N8 O7 S -","- C20 H34 Cl Co N8 O7 S -","- C40 H68 Cl2 Co2 N16 O14 S2 -","2","1","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0762","0.0434","","","0.0611","0.0691","","","","","","1.007","","","","has coordinates","185385","2020-10-21","18:00:00",""
"7037337","15.629","0.003","7.894","0.002","15.631","0.003","90","","117.04","0.02","90","","1717.7","0.7","106","2","106","2","","","","","","","","5","P 1 n 1","P -2yac","7","[Me2In{(4-Me-NCOC6H3)2CH}]","Dimethyl indium bis-(4-methylbenzoxazol-2-yl)-methanide","","- C19 H19 In N2 O2 -","- C19 H19 In N2 O2 -","- C76 H76 In4 N8 O8 -","4","2","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.56086","AgKα","","0.0281","0.0248","","","0.0533","0.0546","","","","","","1.03","","","","has coordinates,has disorder","181744","2020-10-21","18:00:00",""
"7037687","8.1176","0.0001","9.2906","0.0001","12.0776","0.0001","90","","91.3953","0.001","90","","910.591","0.017","297","2","297","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Fe N2 Na O12 -","- C10 H22 Fe N2 Na O12 -","- C20 H44 Fe2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Stroppa, Alessandro; Di Sante, Domenico; Perez-Mato, Juan Manuel; Macalik, Lucyna","Experimental and theoretical studies of structural phase transition in a novel polar perovskite-like [C2H5NH3][Na0.5Fe0.5(HCOO)3] formate.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2574","2583","10.1039/c5dt04536c","","","0.71073","MoKα","","0.0486","0.0363","","","0.0671","0.0719","","","","","","1.028","","","","has coordinates","177809","2020-10-21","18:00:00",""
"7037845","14.014","0.003","31.074","0.006","21.818","0.004","90","","90.39","0.03","90","","9501","3","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C52.5 H102.75 B6 Cu10 F24 N18.25 S8 -","- C52.5 H102.75 B6 Cu10 F24 N18.25 S8 -","- C210 H411 B24 Cu40 F96 N73 S32 -","4","2","","Ferrara, Skylar J.; Wang, Bo; Donahue, James P.","An S4-symmetric mixed-valent decacopper cage comprised of [Cu(II)(L-S2N2)] complexes bridged by Cu(I)(MeCN)n (n = 1 or 2) cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2997","3002","10.1039/c5dt04359j","","","0.71073","MoKα","","0.0798","0.075","","","0.1671","0.1691","","","","","","1.136","","","","has coordinates,has disorder","177773","2020-10-21","18:00:00",""
"7038083","8.576","0.0002","9.7596","0.0002","16.4484","0.0012","90","","92.133","0.007","90","","1375.75","0.11","143","2","143","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C31 H24 N2 O3 P Re S -","- C31 H24 N2 O3 P Re S -","- C62 H48 N4 O6 P2 Re2 S2 -","2","1","","Perl, David; Bisset, Sean W.; Telfer, Shane G.","Postcomplexation synthetic routes to dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2440","2443","10.1039/c5dt04466a","","","1.54178","CuKα","","0.0329","0.0289","","","0.0656","0.0926","","","","","","1.194","","","","has coordinates","177803","2020-10-21","18:00:00",""
"7038665","12.0266","0.0004","12.5297","0.0004","21.8315","0.0006","90","","90.136","0.002","90","","3289.77","0.18","99.9","0.6","99.9","0.6","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C46 H80.4 Ce Cl2 Co2 I2 O22.2 P6 -","- C46 H40 Ce Cl2 Co2 I2 O22.2 P6 -","- C92 H80 Ce2 Cl4 Co4 I4 O44.4 P12 -","2","1","","Au-Yeung, Ka-Chun; So, Yat-Ming; Wang, Guo-Cang; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iodosylbenzene and iodylbenzene adducts of cerium(iv) complexes bearing chelating oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5434","5438","10.1039/c6dt00267f","","x-ray","0.71073","MoKα","","0.0469","0.0372","","","0.0583","0.0612","","","","","","1.002","","","","has coordinates,has disorder","181635","2020-10-21","18:00:00",""
"7039464","7.671","0.006","13.332","0.01","9.525","0.008","90","","103.45","0.02","90","","947.4","1.3","100","","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C11 H24 B9 O2 P Ru -","- C11 H24 B9 O2 P Ru -","- C22 H48 B18 O4 P2 Ru2 -","2","1","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0408","0.0332","","","0.0532","0.0554","","","","","","1.012","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039612","13.0049","0.0003","11.5913","0.0002","15.1039","0.0004","90","","104.371","0.003","90","","2205.57","0.09","100.1","0.6","100.1","0.6","","","","","","","","6","P 1 n 1","P -2yac","7","[L2Cu(HOCH3)][ClO4]2","[([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate","","- C14 H24 Cl2 Cu N6 O10 -","- C14 H24 Cl2 Cu N6 O10 -","- C56 H96 Cl8 Cu4 N24 O40 -","4","2","","Zhang, Wuyu; Saraei, Nina; Nie, Hanlin; Vaughn, John R.; Jones, Alexis S.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Reversible methanol addition to copper Schiff base complexes: a kinetic, structural and spectroscopic study of reactions at azomethine C[double bond, length as m-dash]N bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15791","15799","10.1039/c6dt01955b","","","0.71073","MoKα","","0.0415","0.0396","","","0.0961","0.0979","","","","","","1.097","","","","has coordinates","188219","2020-10-21","18:00:00",""
"7039625","14.5737","0.0008","10.2765","0.0006","16.2121","0.0009","90","","112.126","0.003","90","","2249.2","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 n 1","P -2yac","7","","","","- C20 H33 Fe N O3 P2 -","- C20 H33 Fe N O3 P2 -","- C80 H132 Fe4 N4 O12 P8 -","4","2","","Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste","Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11101","11108","10.1039/c6dt01149g","","x-ray","0.71073","MoKα","","0.0484","0.04","","","0.068","0.0711","","","","","","0.948","","","","has coordinates","185406","2020-10-21","18:00:00",""
"7039724","21.084","0.004","13.758","0.003","26.383","0.005","90","","102.71","0.03","90","","7465","3","143","2","143","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C80 H116 Ce2 N8 -","- C80 H116 Ce2 N8 -","- C320 H464 Ce8 N32 -","4","2","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","0.71073","MoKα","","0.0324","0.0268","","","0.0604","0.0624","","","","","","0.972","","","","has coordinates","186399","2020-10-21","18:00:00",""
"7039917","10.2468","0.0008","14.6429","0.0011","17.7472","0.0007","90","","97.487","0.004","90","","2640.1","0.3","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C57 H65 Br Cu O3 P3 Si -","- C57 H65 Br Cu O3 P3 Si -","- C114 H130 Br2 Cu2 O6 P6 Si2 -","2","1","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.0697","0.0596","","","0.155","0.1614","","","","","","1.062","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7040500","10.6591","0.0009","8.7127","0.0007","14.2325","0.0013","90","","90.856","0.005","90","","1321.6","0.2","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C33 H33 B N2 -","- C33 H33 B N2 -","- C66 H66 B2 N4 -","2","1","","Suresh, D.; Ferreira, Bruno; Lopes, Patrícia S; Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Charas, Ana; Vila-Viçosa, Diogo; Morgado, Jorge; Calhorda, Maria José; Maçanita, António L; Gomes, Pedro T.","Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15603","15620","10.1039/c6dt02771g","","x-ray","0.71073","MoKα","","0.1201","0.108","","","0.3148","0.3277","","","","","","0.981","","","","has coordinates","188143","2020-10-21","18:00:00",""
"7040601","7.1547","0.0003","19.216","0.0006","10.1221","0.0004","90","","104.388","0.002","90","","1347.99","0.09","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H39 Cl3 Mo4 O13 -","- C12 H39 Cl3 Mo4 O13 -","- C24 H78 Cl6 Mo8 O26 -","2","1","","Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S.","Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16309","16316","10.1039/c6dt02965e","","","1.54178","CuKα","","0.0402","0.0353","","","0.084","0.0864","","","","","","1.075","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7042574","13.174","0.005","16.708","0.007","19.544","0.008","90","","108.625","0.005","90","","4077","3","123","2","123","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C40.5 H25 Cl F6 Ir N6 O4 P S2 -","- C40.5 H25 Cl F6 Ir N6 O4 P S2 -","- C162 H100 Cl4 F24 Ir4 N24 O16 P4 S8 -","4","2","","Na, Hanah; Maity, Ayan; Teets, Thomas S.","Bis-cyclometalated iridium complexes with electronically modified aryl isocyanide ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5008","5016","10.1039/c7dt00694b","","","0.71073","MoKα","","0.0282","0.0264","","","0.0628","0.0637","","","","","","1.038","","","","has coordinates,has disorder","196465","2020-10-21","18:00:00",""
"7042761","11.4374","0.0008","13.166","0.0009","16.8565","0.0012","90","","98.647","0.003","90","","2509.5","0.3","123","","123","","","","","","","","Fabian Brunner","7","P 1 n 1","P -2yac","7","","","","- C59 H46 Cu F6 N2 O P3 -","- C59 H46 Cu F6 N2 O P3 -","- C118 H92 Cu2 F12 N4 O2 P6 -","2","1","","Housecroft, Catherine E.; Constable, Edwin C.; Brunner, Fabian; Häussinger, Daniel; Graber, Stefan; Prescimone, Alessandro; Baumgartner, Yann","The effects of introducing sterically demanding aryl substituents in [Cu(N^N)(P^P)]+ complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00782E","","","1.54178","CuKα","","0.0476","0.0472","","0.1121","0.112","0.1121","","","","","","0.7142","","","","has coordinates","195738","2020-10-21","18:00:00",""
"7043064","12.696","0.002","16.539","0.003","16.499","0.003","90","","103.35","0.02","90","","3370.8","1.1","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C64 H79 Cl6 N5 O4 Si2 W -","- C64 H79 Cl6 N5 O4 Si2 W -","- C128 H158 Cl12 N10 O8 Si4 W2 -","2","1","","Ghadwal, Rajendra S.; Rottschaefer, Dennis; Andrada, Diego Marcelo; Frenking, G.; Schürmann, Christian J.; Stammler, Georg","Normal-to-Abnormal Rearrangement of an N-Heterocyclic Carbene with a Silylene Transition Metal Complex","Dalton Trans.","2017","","","","","10.1039/C7DT01199G","","","0.71073","MoKα","","0.0196","0.0185","","","0.0442","0.0447","","","","","","1.043","","","","has coordinates,has disorder","196893","2020-10-21","18:00:00",""
"7043138","5.5175","0.0006","31.498","0.003","9.0538","0.0009","90","","99.363","0.01","90","","1552.5","0.3","119.97","0.12","119.97","0.12","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C30 H21 F15 N4 O3 -","- C30 H21 F15 N4 O3 -","- C60 H42 F30 N8 O6 -","2","1","","Arnedo-Sánchez, Leticia; Nonappa, Nonappa; Bhowmik, Sandip; Hietala, Sami; Puttreddy, Rakesh; Lahtinen, Manu; De Cola, Luisa; Rissanen, Kari","Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine‒fluorine interactions","Dalton Trans.","2017","","","","","10.1039/C7DT00983F","","x-ray","1.54184","CuKα","","0.1008","0.0618","","","0.1401","0.1652","","","","","","1.053","","","","has coordinates,has disorder","197014","2020-10-21","18:00:00",""
"7043479","11.8436","0.0002","24.1564","0.0005","24.5555","0.0005","90","","99.9231","0.0019","90","","6920.2","0.2","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C114 H117 Cr2 F36 N31 P6 -","- C114 H117 Cr2 F36 N31 P6 -","- C228 H234 Cr4 F72 N62 P12 -","2","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0792","0.0631","","","0.1733","0.1914","","","","","","1.019","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043639","9.947","0.002","7.6029","0.0014","10.88","0.002","90","","116.24","0.03","90","","738","0.3","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","","Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas","Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species","Dalton Trans.","2017","","","","","10.1039/C7DT01776F","","","0.71073","MoKα","","0.0561","0.0437","","","0.0903","0.0964","","","","","","1.028","","","","has coordinates","198744","2020-10-21","18:00:00",""
"7044065","16.5259","0.0004","22.0689","0.0005","33.5552","0.001","90","0.0004","98.0671","0.0004","90","0.0004","12116.8","0.5","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C132 H295 Mo36 N16 O121 S4 -","- C132 H295 Mo36 N16 O120.981 S4 -","- C264 H590 Mo72 N32 O241.962 S8 -","2","1","","Tsunashima, Ryo; Nakamura, Ippei; Oue, Rika; Koga, Seiya; Oki, Hirofumi; Nakamura, Takayoshi; Noro, Shin-ichiro; Akutagawa, Tomoyuki","Inter-cluster Distance Dependence of Electrical Properties in Single Crystals of a Mixed-valence Polyoxometalate","Dalton Trans.","2017","","","","","10.1039/C7DT02623D","","","0.7107","MoKα","","0.069","0.0634","","","0.1756","0.1858","","","","","","1.073","","","","has coordinates,has disorder","200048","2020-10-21","18:00:00",""
"7045018","10.447","0.003","15.753","0.004","21.429","0.004","90","","101.33","0.02","90","","3457.9","1.5","100","1","100","1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C72 H88 Cl Li2 Mn O12 Si4 -","- C72 H88 Cl Li2 Mn O12 Si4 -","- C144 H176 Cl2 Li4 Mn2 O24 Si8 -","2","1","","Lorenz, Volker; Ehle, Sophie; Liebing, Phil; Engelhardt, Felix; Hashemi-Haeri, Haleh; Oehler, Florian; Hinderberger, Dariush; Busse, Sabine; Urbaschok, Jens; Edelmann, Frank T.","High-yield synthesis of a unique Mn(iii) siloxide complex through KMnO<sub>4</sub> oxidation of a Mn(ii) precursor.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","62","66","10.1039/c7dt03500d","","","0.71073","MoKα","","0.0712","0.0658","","","0.129","0.1314","","","","","","1.24","","","","has coordinates,has disorder","229386","2020-10-21","18:00:00",""
"7045513","8.6379","0.0004","14.2975","0.0005","10.2018","0.0003","90","","95.358","0.004","90","","1254.42","0.08","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C13 H30 I4 P2 Se2 -","- C13 H30 I4 P2 Se2 -","- C26 H60 I8 P4 Se4 -","2","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0216","0.02","","","0.0386","0.0393","","","","","","1.035","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7046444","16.5685","0.0006","11.5095","0.0004","17.2952","0.0006","90","","115.201","0.001","90","","2984.2","0.18","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C24 H57 Al N2 P2 -","- C24 H57 Al N2 P2 -","- C96 H228 Al4 N8 P8 -","4","2","","Köster, Marcel; Kreher, Annikka; von Hänisch, Carsten","Synthesis of ternary group 13/15 chain compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7875","7878","10.1039/c8dt01119b","","x-ray","0.71073","MoKα","","0.0498","0.0402","","","0.0935","0.0979","","","","","","1.028","","","","has coordinates","229218","2020-10-21","18:00:00",""
"7048276","12.8712","0.0008","23.363","0.003","12.9312","0.001","90","","90.118","0.007","90","","3888.5","0.6","110","","110","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C39 H32 Cl2 Fe N10 O9 -","- C39 H32 Cl2 Fe N10 O9 -","- C156 H128 Cl8 Fe4 N40 O36 -","4","2","","Petzold, Holm; Hörner, Gerald; Schnaubelt, Linda; Rüffer, Tobias","Slow spin crossover in bis-meridional Fe<sup>2+</sup> complexes through spin-state auto-adaptive N6/N8 coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17257","17265","10.1039/c8dt03652g","","","0.71073","MoKα","","0.0546","0.0505","","","0.1235","0.1265","","","","","","1.026","","","","has coordinates","229712","2020-10-21","18:00:00",""
"7049174","6.213","0.005","6.525","0.005","7.83","0.006","90","","90.7","","90","","317.4","0.4","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Ge Li2 S4 Zn -","- Ge Li2 S4 Zn -","- Ge2 Li4 S8 Zn2 -","2","1","","Huang, Yi; Wu, Kui; Cheng, Jianian; Chu, Yu; Yang, Zhihua; Pan, Shilie","Li<sub>2</sub>ZnGeS<sub>4</sub>: a promising diamond-like infrared nonlinear optical material with high laser damage threshold and outstanding second-harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4484","4488","10.1039/c9dt00269c","","","0.71073","MoKα","","0.0795","0.058","","","0.1404","0.1617","","","","","","1.166","","","","has coordinates","224296","2020-10-21","18:00:00",""
"7049839","9.9571","0.0003","11.4206","0.0004","21.6403","0.0006","90","","91.0099","0.0011","90","","2460.47","0.13","100","2","100","2","","","","","","","synthetical product","6","P 1 n 1","P -2yac","7","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-methoxyphenolato]-oxo-rhenium(V)","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-methoxyphenolato]-oxo-rhenium(V)","","- C24 H28 Cl N2 O7 Re -","- C24 H28 Cl N2 O7 Re -","- C96 H112 Cl4 N8 O28 Re4 -","4","2","","Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C","Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8106","8115","10.1039/c9dt01352k","","","0.71073","MoKα","","0.0253","0.0233","","","0.0477","0.0487","","","","","","1.042","","","","has coordinates,has disorder","224425","2020-10-21","18:00:00",""
"7050165","13.353","0.0001","17.5779","0.0001","17.4987","0.0002","90","","99.3274","0.0003","90","","4052.95","0.06","173","1","173","1","","","","","","","see text","9","P 1 n 1","P -2yac","7","Dichlorobis(triphenylphosphine oxide)zinc(ii)","","","- C81 H77 F3 N3 O6 P4 Re Ru S -","- C81 H77 F3 N3 O6 P4 Re Ru S -","- C162 H154 F6 N6 O12 P8 Re2 Ru2 S2 -","2","1","","Fritz E. Kühn; Jing-Lin Zuo; Fabrizia Fabrizi de Biani; Ana M. Santos; Yanmei Zhang; Jin Zhao; Angela Sandulache; Eberhardt Herdtweck","4-Ethynylpyridine as bridging moiety in mixed Ru/Re complexes","New J. Chem.","2004","28","1","43","51","10.1039/b307919h","","","0.71073","MoKα","","0.0431","0.0396","","","0.1015","0.104","","","","","","1.031","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050790","8.5048","0.0003","10.2119","0.0004","11.522","0.0004","90","","92.241","0.001","90","","999.92","0.06","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C16 H30 N2 Ni O4 -","- C16 H30 N2 Ni O4 -","- C32 H60 N4 Ni2 O8 -","2","1","","Trimmel, Gregor; Lembacher, Christian; Kickelbick, Guido; Schubert, Ulrich","Sol-gel processing of alkoxysilyl-substituted nickel complexes for the preparation of highly dispersed nickel in silicaElectronic supplementary information (ESI) available: Tables S1‒S5 giving additional analytical data as described in the text and the exact quantities for the syntheses. See http://www.rsc.org/suppdata/nj/b1/b110612k/","New Journal of Chemistry","2002","26","6","759","","10.1039/b110612k","","","0.71073","MoKα","","0.0584","0.0477","","0.1288","0.1226","","","","1.045","1.022","1.022","","","","","has coordinates","180061","2020-10-21","18:00:00",""
"7050843","13.4667","0.0007","39.338","0.002","18.4026","0.0014","90","","93.062","0.004","90","","9734.9","1","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C91 H134 N2 O24 U2 -","- C91 H129 N2 O24 U2 -","- C364 H516 N8 O96 U8 -","4","2","","Thuery, Pierre; Masci, B.; Nierlich, M.","Supramolecular assemblies from uranyl ion complexes of hexahomotrioxacalix[3]arenes and protonated [2.2.2]cryptand","New Journal of Chemistry","2002","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","180062","2020-10-21","18:00:00",""
"7051175","13.0469","0.0014","14.126","0.0016","14.2105","0.0016","90","","91.11","0.002","90","","2618.5","0.5","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H42 Co10 N8 O43 P10 -","- C12 H48 Co10 N8 O43 P10 -","- C24 H96 Co20 N16 O86 P20 -","2","1","","Yanxiong Ke; Gaofei He; Jianmin Li; Yugen Zhang; Sheming Lu","A new mixed divalent metal phosphate with zeolite thomsonite framework topology","New J. Chem.","2001","25","12","1627","1630","10.1039/b104331p","","","0.71073","MoKα","","0.0496","0.043","","","0.1017","0.1038","","","","","","1","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051570","8.6759","0.0002","17.6854","0.0004","17.4137","0.0005","90","","102.146","0.002","90","","2612.09","0.11","123","2","123","2","","","","","","","","4","P 1 n 1","P -2yac","7","[Li{N(2,6-Me2C6H3)C(H)N(2,6-Me2C6H3)}(PMDETA)]","","","- C52 H84 Li2 N10 -","- C52 H84 Li2 N10 -","- C104 H168 Li4 N20 -","2","1","","Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron; Junk, Peter C.","Bulky formamidinate complexes of lithium: the first examples of η2:η1-C=N,N' metal amidinate coordination","New Journal of Chemistry","2005","29","11","1404","","10.1039/b511519a","","x-ray","0.71073","MoKα","","0.0901","0.0559","","","0.1228","0.1371","","","","","","1.015","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051899","13.7015","0.0008","14.3052","0.0015","32.13","0.004","90","","95.576","0.008","90","","6267.8","1.1","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C187 H116 N8 Ni2 -","- C187 H116 N8 Ni2 -","- C374 H232 N16 Ni4 -","2","1","","Norret, Marck; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Controlling the confinement of fullerene C60 molecules using a saddle shape Ni(ii) macrocycle","New Journal of Chemistry","2008","32","5","808","","10.1039/b718937k","","","0.71073","MoKα","","0.1167","0.0671","","","0.1531","0.1736","","","","","","1.042","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7052857","6.9865","0.0008","17.368","0.001","15.847","0.001","90","","94.68","0.03","90","","1916.5","0.3","220","","200","","","","","","","","","5","P 1 n 1","P -2yac","7","1,2-bis(benzimidazolonium)ethane sulphate trihydrate","1,2-bis(benzimidazolonium)ethane sulphate trihydrate","","- C34 H48 N8 O14 S2 -","- C34 H48 N8 O14 S2 -","- C68 H96 N16 O28 S4 -","2","1","","Clifford, Sarah E.; Runowski, Marcin; Parthasarathy, Nalini; Besnard, Céline; Melich, Xavier; Williams, Alan F.","Unusual solidification and phosphate binding to benzimidazole cations in the presence of water","New Journal of Chemistry","2012","36","3","823","","10.1039/c2nj20897k","","","0.71073","MoKα","","0.0388","0.0356","","0.0536","0.053","0.0536","","","","","","1.702","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052887","13.912","0.004","31.687","0.009","15.107","0.004","90","","94.072","0.004","90","","6643","3","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C30 H56 Fe Mo6 N2 O19 -","- C30 H56 Fe Mo6 N2 O19 -","- C180 H336 Fe6 Mo36 N12 O114 -","6","3","","Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin","Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors","New Journal of Chemistry","2012","36","5","1224","","10.1039/c2nj20911j","","","0.71073","MoKα","","0.13","0.0808","","","0.2007","0.2358","","","","","","1.008","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7053151","6.307","0.001","12.611","0.002","10.4919","0.0017","90","","91.227","0.002","90","","834.3","0.2","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C15 H15 Co N3 O5 -","- C15 H15 Co N3 O5 -","- C30 H30 Co2 N6 O10 -","2","1","","Li, Zongze; Du, Lin; Zhou, Jie; Li, Lin; Hu, Yan; Qiao, Yongfeng; Xie, Mingjin; Zhao, Qihua","A chiral porous cobalt‒organic framework based on reinforced sinusoidal-like SBUs involving in situ-generated formate","New Journal of Chemistry","2013","37","8","2473","","10.1039/c3nj00236e","","","0.71073","MoKα","","0.0601","0.0514","","","0.1363","0.1419","","","","","","1.013","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053391","15.05","0.002","12.1206","0.0019","15.425","0.002","90","","105.596","0.012","90","","2710.2","0.7","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","N-(2-oxo-1-((1Z)-1,3,3,3-tetrafluoroprop-1-en-1-yl) -1,2- dihydropyrimidin-4-yl)benzamide","N-{2-oxo-1-[(1Z)-1,3,3,3-tetrafluoroprop-1-en-1-yl] -1,2-dihydropyrimidin-4-yl}benzamide","","- C14 H9 F4 N3 O2 -","- C14 H9 F4 N3 O2 -","- C112 H72 F32 N24 O16 -","8","4","","Wójtowicz-Rajchel, Hanna; Pasikowska, Magda; Olejniczak, Anna; Katrusiak, Andrzej; Koroniak, Henryk","Fluorinated enamines of nucleobases as precursors of nucleoside analogues. Synthesis, spectroscopic and structural studies","New Journal of Chemistry","2010","34","5","894","","10.1039/b9nj00617f","","","0.71073","MoKα","","0.0969","0.0822","","","0.2454","0.2706","","","","","","1.14","","","","has coordinates,has disorder","180087","2020-10-21","18:00:00",""
"7054237","10.922","0.005","17.836","0.011","28.622","0.018","90","","98.157","0.018","90","","5519","5","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C47 H44 N15 O4 S7 Y -","- C47 H40.5 N15 O4 S7 Y -","- C188 H162 N60 O16 S28 Y4 -","4","2","","Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir","Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine","New Journal of Chemistry","2014","38","8","3803","","10.1039/C4NJ00598H","","","0.71073","MoKα","","0.2513","0.0889","","","0.1724","0.2255","","","","","","0.884","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7056312","8.7376","0.0014","12.3604","0.0019","9.2476","0.0014","90","","108.002","0.008","90","","949.9","0.3","93","2","93","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.1102","0.098","","","0.2348","0.2438","","","","","","1.094","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056668","4.2","0.0008","8.507","0.0017","17.069","0.003","90","","94.05","0.03","90","","608.3","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C20 H22 N10 O10 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.0458","0.0404","","","0.1162","0.1226","","","","","","1.001","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056669","4.419","0.0009","8.581","0.0017","17.499","0.004","90","","91.35","0.03","90","","663.4","0.2","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C10 H11 Cl N4 O6 -","- C10 H11 Cl N4 O6 -","- C20 H22 Cl2 N8 O12 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.0681","0.0553","","","0.1418","0.153","","","","","","1.08","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056672","4.4091","0.0009","8.6022","0.0017","17.525","0.004","90","","91.34","0.03","90","","664.5","0.2","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C10 H13 N4 O6 P -","- C10 H13 N4 O6 P -","- C20 H26 N8 O12 P2 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.075","0.0558","","","0.1205","0.1404","","","","","","0.995","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056676","13.1184","0.0006","12.6369","0.0005","32.3036","0.0012","90","","96.168","0.004","90","","5324.2","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H113 Er Ge2 Mo22 N8 O100 -","- C20 H50 Er Ge2 Mo22 N5 O83 -","- C40 H100 Er2 Ge4 Mo44 N10 O166 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","","","","","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.053","0.0452","","","0.1032","0.1082","","","","","","1.013","","","","has coordinates","201884","2020-10-21","18:00:00",""
"7056677","13.2175","0.0003","12.7258","0.0004","32.5224","0.001","90","","96.203","0.003","90","","5438.3","0.3","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H111 Gd Ge2 Mo22 N8 O99 -","- C28 H68 Gd Ge2 Mo22 N7 O85 -","- C56 H136 Gd2 Ge4 Mo44 N14 O170 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","","","","","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.0409","0.0391","","","0.1007","0.1023","","","","","","1.024","","","","has coordinates","201884","2020-10-21","18:00:00",""
"7056678","13.2127","0.0003","12.7291","0.0003","32.5182","0.001","90","","96.158","0.002","90","","5437.5","0.2","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H115 Dy Ge2 Mo22 N8 O101 -","- C24 H56 Dy Ge2 Mo22 N6 O84 -","- C48 H112 Dy2 Ge4 Mo44 N12 O168 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","","","","","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.0417","0.0399","","","0.111","0.1129","","","","","","1.04","","","","has coordinates","201884","2020-10-21","18:00:00",""
"7056679","13.2174","0.0006","12.7175","0.0006","32.4095","0.0014","90","","96.294","0.004","90","","5415","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H113 Ge2 Mo22 N8 O100 Tb -","- C28 H56 Ge2 Mo22 N7 O85 Tb -","- C56 H112 Ge4 Mo44 N14 O170 Tb2 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","","","","","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.0382","0.0363","","","0.0962","0.0977","","","","","","1.023","","","","has coordinates","201884","2020-10-21","18:00:00",""
"7056907","12.4574","0.0012","13.7387","0.0013","20.538","0.002","90","","95.175","0.002","90","","3500.7","0.6","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C40 H47.5 N2 Si2 -","- C40 H47.5 N2 Si2 -","- C160 H190 N8 Si8 -","4","2","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0839","0.07","","","0.1871","0.2","","","","","","1.038","","","","has coordinates","230268","2020-10-21","18:00:00",""
"7057668","6.5125","0.0001","5.9722","0.0001","12.1029","0.0001","90","","95.656","0.001","90","","468.438","0.011","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C20 H24 N4 O4 -","2","1","","Roy, Ankana; Das, Partha Jyoti; Diskin-Posner, Yael; Firer, Michael; Grynszpan, Flavio; Montag, Michael","Quenching of syn-bimane fluorescence by Na+ complexation","New Journal of Chemistry","2018","42","19","15541","","10.1039/C8NJ01945B","","","1.54184","CuKα","","0.041","0.0403","","","0.102","0.1024","","","","","","1.09","","","","has coordinates","230321","2020-10-21","18:00:00",""
"7061897","4.6463","0.0003","13.9998","0.0009","9.849","0.0006","90","","96.32","0.007","90","","636.76","0.07","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C26 H30 N6 O6 -","2","1","","Ajormal, Fatemeh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna; Lis, Tadeusz","Green catalytic synthesis of symmetric and non-symmetric β-hydroxy-1,2,3-triazoles by using epichlorohydrin in the presence of Cu(ii) coordination compounds containing oxazole ligands","New Journal of Chemistry","2022","46","40","19468","19481","10.1039/D2NJ03826A","","","1.54184","CuKα","","0.0556","0.0547","","","0.1484","0.1492","","","","","","1.068","","","","has coordinates","279021","2022-11-07","05:43:20",""
"7103316","10.7376","0.0013","8.3473","0.001","16.1039","0.0019","90","","98.648","0.002","90","","1427","0.3","193","2","193","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","2","","Li, Lei; Chase, Charles E; West, F G","Cyclooctatrienes from pyran-2-ones via a tandem [4+4]-photocycloaddition/decarboxylation process.","Chemical communications (Cambridge, England)","2008","","34","4025","4027","10.1039/b806871b","","","0.71073","MoKα","","0.0823","0.0623","","","0.1653","0.1775","","","","","","1.049","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7103737","9.9696","0.0004","18.6529","0.0008","16.5704","0.0005","90","","92.384","0.002","90","","3078.8","0.2","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C31 H48.5 Li N O4 -","- C31 H48.5 Li N O4 -","- C124 H194 Li4 N4 O16 -","4","2","","Andrew Wheatley; David R. Armstrong; Jonathan Clayden; Robert Haigh; David J. Linton; Paul Schooler","Variations in the solid-state, solution and theoretical structures of a laterally deprotonated aromatic tertiary amide","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b302283h","","","0.71069","MoKα","","0.0872","0.0713","","","0.1848","0.2004","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7103875","10.186","0.002","13.026","0.003","17.501","0.004","90","","96.63","0.03","90","","2306.5","0.8","140","1","140","1","","","","","","","","5","P 1 n 1","P -2yac","7","complex 2","","","- C23 H11 B F15 N -","- C23 H11 B F15 N -","- C92 H44 B4 F60 N4 -","4","2","","Mountford, Andrew J.; Hughes, David L.; Lancaster, Simon J.","Intra- and inter-molecular C‒H⋯F‒C and N‒H⋯F‒C hydrogen bonding in secondary amine adducts of B(C6F5)3: relevance to key interactions in alkene polymerisation catalysis","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2148","2149","10.1039/b305613a","","","0.71073","Mo-Kα","","0.0354","0.0307","","","0.0736","0.0752","","","","","","1.006","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7105231","14.5518","0.0005","11.4399","0.0004","15.0625","0.0006","90","","94.463","0.002","90","","2499.87","0.16","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C44 H65 B11 F K O6 -","- C44 H65 B11 F K O6 -","- C88 H130 B22 F2 K2 O12 -","2","1","","Huh, Jung Oh; Kim, Hyungjun; Lee, Kang Mun; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung","o-Carborane-assisted Lewis acidity enhancement of triarylboranes.","Chemical communications (Cambridge, England)","2010","46","7","1138","1140","10.1039/b918263b","","","0.71073","MoKα","","0.1172","0.0769","","","0.2162","0.2598","","","","","","1.024","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105295","8.02056","0.00013","6.602","0.00009","14.6738","0.0002","90","","95.5928","0.0015","90","","773.31","0.02","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H15 Br O4 -","- C17 H15 Br O4 -","- C34 H30 Br2 O8 -","2","1","","Carr, James L; Offermann, Daniel A; Holdom, Mary D; Dusart, Philip; White, Andrew J P; Beavil, Andrew J; Leatherbarrow, Robin J; Lindell, Stephen D; Sutton, Brian J; Spivey, Alan C","Total synthesis of (+/-)-aspercyclide A and its C19 methyl ether.","Chemical communications (Cambridge, England)","2010","46","11","1824","1826","10.1039/b923528k","","","1.54184","CuKα","","0.0259","0.0254","","","0.0721","0.0724","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105465","13.7778","0.0003","14.5476","0.0003","19.4191","0.0004","90","","97.082","0.001","90","","3862.55","0.14","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C18 H22 B10 -","- C18 H22 B10 -","- C144 H176 B80 -","8","4","","Sousa-Pedrares, Antonio; Viñas, Clara; Teixidor, Francesc","Using the Wittig reaction to produce alkenylcarbaboranes.","Chemical communications (Cambridge, England)","2010","46","17","2998","3000","10.1039/b921122e","","","0.71073","MoKα","","0.0909","0.0586","","","0.1223","0.1365","","","","","","0.977","","","","has coordinates","180158","2020-10-21","18:00:00",""
"7106336","8.195","0.0012","6.7365","0.0009","12.3971","0.0018","90","","104.452","0.005","90","","662.73","0.16","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C10 H8 Cl4 N2 Re -","- C10 H8 Cl4 N2 Re -","- C20 H16 Cl8 N4 Re2 -","2","1","","Jose Martinez-Lillo; Teresa F. Mastropietro; Rosamaria Lappano; Antonio Madeo; Marta E. Alberto; Nino Russo; Marcello Maggiolini; Giovanni De Munno","Rhenium(IV) compounds inducing apoptosis in cancer cells","Chem.Commun.","2011","47","","5283","","10.1039/c1cc11038a","","","0.71073","MoKα","","0.0177","0.0158","","","0.0278","0.0286","","","","","","0.767","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106791","5.031","0.001","12.153","0.002","15.766","0.003","90","","95.05","0.03","90","","960.2","0.3","140","2","140","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C40 H58 N6 O4 -","2","1","","Boram Lee; Rosario Scopelliti; Kay Severin","A molecular probe for the optical detection of biogenic amines","Chem.Commun.","2011","47","","9639","","10.1039/c1cc13604f","","","0.71073","MoKα","","0.091","0.0683","","","0.165","0.1874","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106851","10.5615","0.0012","8.3727","0.0009","11.8537","0.0012","90","","108.972","0.002","90","","991.26","0.19","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","1","","Yun-Shan Sun; Kai Ding; Wei-Sheng Tian","Total syntheses of (Sp)-(+)- and (Rp)-(-)-spiniferin-1, a pair of unusual natural products with planar chirality","Chem.Commun.","2011","47","","10437","","10.1039/c1cc13650j","","","0.71073","MoKα","","0.079","0.0399","","","0.0516","0.0581","","","","","","0.764","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7107893","14.8462","0.0002","19.637","0.0003","19.5727","0.0004","90","","110.058","0.002","90","","5360.02","0.17","173","","173","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C102 H168 Cu Li O6 Si4 -","- C102 H168 Cu Li O6 Si4 -","- C204 H336 Cu2 Li2 O12 Si8 -","2","1","","Michael J. Cowley; Kai Abersfelder; Andrew J. P. White; Moumita Majumdar; David Scheschkewitz","Transmetallation reactions of a lithium disilenide","Chem.Commun.","2012","48","","6595","","10.1039/c2cc33047d","","","0.71073","MoKα","","0.0942","0.061","","","0.1496","0.1684","","","","","","1.047","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107986","9.0128","0.0018","9.1833","0.0018","10.1798","0.0019","90","","110.846","0.004","90","","787.4","0.3","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Ramesh B. Dateer; Kamalkishore Pati; Rai-Shung Liu","Gold-catalyzed synthesis of substituted 2-aminofurans via formal [4+1]-cycloadditions on 3-en-1-ynamides","Chem.Commun.","2012","48","","7200","","10.1039/c2cc33030j","","","0.71073","MoKα","","0.0318","0.0274","","","0.0615","0.0634","","","","","","1.03","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7108394","10.628","0.002","19.09","0.004","14.334","0.003","90","","102.91","0.03","90","","2834.7","1.1","123","2","123","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H36 Br2 N2 Pb -","- C27 H36 Br2 N2 Pb -","- C108 H144 Br8 N8 Pb4 -","4","2","","Cameron Jones; Anastas Sidiropoulos; Nicole Holzmann; Gernot Frenking; Andreas Stasch","An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length as m-dash]Sn:","Chem.Commun.","2012","48","","9855","","10.1039/c2cc35228a","","","0.71073","MoKα","","0.0732","0.0574","","","0.1017","0.1095","","","","","","1.012","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108478","8.0433","0.0002","15.1139","0.0003","11.092","0.0002","90","","95.451","0.001","90","","1342.31","0.05","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","WAP506","","","- C27 H35 B O6 S2 -","- C27 H35 B O6 S2 -","- C54 H70 B2 O12 S4 -","2","1","","Diego Cardenas; Elena Bunuel; Virtudes Pardo-Rodriguez; Daniel Collado-Sanz","Pd-catalyzed borylative cyclisation of 1,7-enynes","Chem.Commun.","2012","48","","10517","","10.1039/c2cc34468h","","","0.71073","MoKα","","0.059","0.0486","","","0.1277","0.1421","","","","","","1.014","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7109011","9.013","0.002","14.311","0.003","19.453","0.005","90","","98.027","0.008","90","","2484.6","1","93","2","93","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H26 O2 P2 Se4 -","- C20 H26 O2 P2 Se4 -","- C80 H104 O8 P8 Se16 -","4","2","","Guoxiong Hua; Alexandra M. Z. Slawin; Rebecca A. M. Randall; David B. Cordes; Luke Crawford; Michael Buhl; J. Derek Woollins","An efficient route for the synthesis of phosphorus-selenium macro-heterocycles","Chem.Commun.","2013","49","","2619","","10.1039/c3cc40515j","","","0.71073","MoKα","","0.0758","0.0645","","","0.1732","0.1905","","","","","","1.039","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109185","14.917","0.006","13.821","0.005","20.851","0.008","90","","90.191","0.007","90","","4299","3","","","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C52.5 H123 Co I O31.5 Ti11 -","- C52.5 H119 Co I O31.5 Ti11 -","- C105 H238 Co2 I2 O63 Ti22 -","2","1","","Yi-Hsuan Lai; Chia-Yu Lin; Yaokang Lv; Timothy King; Alexander Steiner; Nicoleta Muresan; LiHua Gan; Dominic Wright; Erwin Reisner","Facile assembly of an efficient CoOx water oxidation electrocatalyst from Co-containing polyoxotitanate nanocages","Chem. Commun.","2013","49","","4331","","10.1039/c2cc34934e","","","0.71073","MoKα","","0.142","0.0751","","","0.1824","0.225","","","","","","0.748","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109970","6.0403","0.0011","7.9754","0.0011","17.197","0.002","90","","97.53","0.01","90","","821.3","0.2","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C19 H25 N O -","- C19 H25 N O -","- C38 H50 N2 O2 -","2","1","","Yi-Ling Tsai; Yu-Shiou Fan; Chia-Jui Lee; Chan-Hui Huang; Utpal Das; Wenwei Lin","An efficient synthesis of trisubstituted oxazoles via chemoselective O-acylations and intramolecular Wittig reactions","Chem.Commun.","2013","49","","10266","","10.1039/c3cc45883k","","","0.71073","MoKα","","0.0503","0.0391","","","0.0945","0.1152","","","","","","1.108","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7110021","10.1761","0.0014","16.041","0.002","10.2601","0.0014","90","","109.369","0.002","90","","1580","0.4","173","2","173.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H54 N3 P3 Ru -","- C26 H56 N3 P3 Ru -","- C52 H112 N6 P6 Ru2 -","2","1","","Amrendra K. Singh; Benjamin G. Levine; Richard J. Staples; Aaron L. Odom","A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity","Chem.Commun.","2013","49","","10799","","10.1039/c3cc46596a","","","0.71073","MoKα","","0.0907","0.0579","","","0.1109","0.1242","","","","","","1.01","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110495","11.3602","0.0006","22.7707","0.0013","15.858","0.0009","90","","93.956","0.001","90","","4092.4","0.4","200","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","bis(4,4'-bipyridine)dinitratonickel(II) 1:2 complex with pyrene","","- C52 H36 N6 Ni O6 -","- C52 H36 N6 Ni O6 -","- C208 H144 N24 Ni4 O24 -","4","2","","Biradha, Kumar; Domasevitch, Konstantin V.; Moulton, Brian; Seward, Corey; Zaworotko, Michael J.","Covalent and noncovalent interpenetrating planar networks in the crystal structure of {[Ni(4,4′-bipyridine)2(NO3)2·2pyrene}n","Chemical Communications","1999","","14","1327","","10.1039/a901311c","","","0.71073","MoKα","","0.0651","0.0409","","0.125","0.1031","","","","1.017","1.114","1.114","","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7111394","24.1134","0.0006","19.5324","0.0005","25.0854","0.0006","90","","100.015","0.001","90","","11635","0.5","293","","293","","","","","","","","?","3","P 1 n 1","P -2yac","7","","","","- Mo3 O22.5 P6 -","- Mo3 O22.5 P6 -","- Mo84 O630 P168 -","28","14","","Lister, Sarah E.; Radosavljevic Evans, Ivana; Howard, Judith A. K.; Coelho, Alan; Evans, John S. O.","Mo2P4O15? the most complex oxide structure solved by single crystal methods?","Chemical Communications","2004","","22","2540","2541","10.1039/b408413f","","","0.71073","MoKα","","0.0403","0.0349","","0.0634","0.0599","0.0599","","","","","","0.8626","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111426","18.2062","0.0012","27.2512","0.0017","18.6529","0.0012","90","","98.417","0.002","90","","9154.8","1","273","2","273","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C126 H180 N5 Ni24 O46 Pt17 -","- C126 H180 N5 Ni24 O46 Pt17 -","- C252 H360 N10 Ni48 O92 Pt34 -","2","1","","Femoni, Cristina; Iapalucci, M. Carmela; Longoni, Giuliano; Svensson, Per H.","New high-nuclearity Ni?Pt carbonyl clusters: synthesis and X-ray structure of the ordered [HNi24Pt17(CO)46]5? and the substitutionally Ni/Pt disordered [Ni32Pt24(CO)56]6? cluster anions","Chemical Communications","2004","","20","2274","2275","10.1039/b409522g","","","0.71073","MoKα","","0.1218","0.0539","","","0.1323","0.1512","","","","","","1.007","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111543","9.5587","0.0009","15.1757","0.0017","16.103","0.0019","90","","100.42","0.009","90","","2297.4","0.4","6","2","6","2","","","","","","","see text","6","P 1 n 1","P -2yac","7","","","","- C46 H78 B2 Lu N3 O4 -","- C46 H78 B2 Lu N3 O4 -","- C92 H156 B4 Lu2 N6 O8 -","2","1","","Meyer, Nils; Jenter, Jelena; Roesky, Peter W.; Eickerling, Georg; Scherer, Wolfgang","Unusual reactivity of lanthanide borohydride complexes leading to a borane complex","Chemical Communications","2009","","31","4693","4695","10.1039/b907193h","","x-ray","0.71073","MoKα","","0.0271","0.0247","","","0.0592","0.0618","","","","","","1.141","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7112727","9.917","0.005","14.232","0.007","14.838","0.007","90","","94.095","0.011","90","","2088.9","1.8","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C18 H14 F6 N2 O4 S2 -","- C18 H14 F6 N2 O4 S2 -","- C72 H56 F24 N8 O16 S8 -","4","2","","Nakhi, Ali; Prasad, Bagineni; Reddy, Uppender; Rao, Raja Mohan; Sandra, Sandhya; Kapavarapu, Ravikumar; Rambabu, D.; Rama Krishna, G.; Reddy, C. Malla; Ravada, Kishore; Misra, Parimal; Iqbal, Javed; Pal, Manojit","A new route to indoles via in situ desilylation‒Sonogashira strategy: identification of novel small molecules as potential anti-tuberculosis agents","MedChemComm","2011","2","10","1006","","10.1039/c1md00148e","","","0.71073","MoKα","","0.1284","0.0918","","","0.2359","0.272","","","","","","1.357","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112921","15.4288","0.0011","7.6422","0.0006","22.522","0.002","90","","90.335","0.006","90","","2655.5","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C22.85 H25.4 N8 O8.85 Zn -","- C22.85 H25.4 N8 O8.85 Zn -","- C91.4 H101.6 N32 O35.4 Zn4 -","4","2","","Baldridge, Anthony; Solntsev, Kyril M.; Song, Charles; Tanioka, Tatsuro; Kowalik, Janusz; Hardcastle, Kenneth; Tolbert, Laren M.","Inhibition of twisting of a green fluorescent protein-like chromophore by metal complexation.","Chemical communications (Cambridge, England)","2010","46","31","5686","5688","10.1039/b927313a","","","1.54178","CuKα","","0.1316","0.0634","","","0.1399","0.173","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113407","15.8021","0.0009","13.9991","0.0008","23.2013","0.0013","90","","92.411","0.001","90","","5127.9","0.5","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C110 H102 N4 Na4 O14 P8 -","- C110 H102 N4 Na4 O14 P8 -","- C220 H204 N8 Na8 O28 P16 -","2","1","","Román-Bravo, Perla; López-Cardoso, Marcela; y García, Patricia García; Höpfl, Herbert; Cea-Olivares, Raymundo","Template-assisted self assembly of two lipophilic polyion aggregates derived from sodium tetraphenyl imidodiphosphinate-complexes containing sodium ions in four different coordination environments.","Chemical communications (Cambridge, England)","2004","","17","1940","1941","10.1039/b406817c","","","0.71073","MoKα","","0.0822","0.0556","","","0.0934","0.1025","","","","","","0.854","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7114090","11.363","0.008","9.32","0.01","20.289","0.007","90","","103.06","0.04","90","","2093","3","301.2","","","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C46 H47 F6 O P2 Rh -","- C46 H47 F6 O P2 Rh -","- C92 H94 F12 O2 P4 Rh2 -","2","1","","Ogata, Kenichi; Kuge, Katsuaki; Tatsumi, Kazuyuki; Yamamoto, Yasuhiro","One-step synthesis of alkenyl ketone complexes from Cp*RhCl2(PPh3), alkyne and H2O in the presence of KPF6","Chemical Communications","2002","","2","128","","10.1039/b108953f","","","0.7107","MoKα","","","0.0596","","","","0.1803","","","","","","2.336","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114101","8.372","0.0011","10.5284","0.0014","22.576","0.003","90","","92.559","0.004","90","","1987.9","0.5","203","2","203","2","","","","","","","","5","P 1 n 1","P -2yac","7","Ru(OEP)CO)nitrone","","","- C43 H55 N5 O2 Ru -","- C43 H55 N5 O2 Ru -","- C86 H110 N10 O4 Ru2 -","2","1","","Lee, Jonghyuk; Twamley, Brendan; Richter-Addo, George B.","Nitrones are suitable ligands for heme models: X-ray crystal structure of the first metalloporphyrin nitrone complex","Chemical Communications","2002","","4","380","","10.1039/b111057h","","","0.71073","MoKα","","0.049","0.0437","","","0.1028","0.1058","","","","","","1.049","","","","has coordinates,has disorder","180255","2020-10-21","18:00:00",""
"7114116","13.2385","0.0004","16.9228","0.0005","15.0678","0.0004","90","","99.944","0.002","90","","3324.96","0.17","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H48 Cl2 N4 O2 -","- C34 H48 Cl2 N4 O2 -","- C136 H192 Cl8 N16 O8 -","4","2","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.; Shi, Andy J.","Solution and solid-state studies of 3,4-dichloro-2,5-diamidopyrroles: formation of an unusual anionic narcissistic dimerElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 3 and 4. See http://www.rsc.org/suppdata/cc/b2/b200980c/","Chemical Communications","2002","","7","758","","10.1039/b200980c","","","0.71073","MoKα","","0.0819","0.0476","","","0.0868","0.0984","","","","","","0.988","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7114600","11.0416","0.0001","21.5483","0.0002","21.3436","0.0002","90","","91.7631","0.0009","90","","5075.83","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C57 H50 Ag F3 N2 O13 S -","- C57 H50 Ag F3 N2 O13 S -","- C228 H200 Ag4 F12 N8 O52 S4 -","4","2","","Asif Noor; Warrick K. C. Lo; Stephen C. Moratti; James D. Crowley","CuAAC 'click' active-template synthesis of functionalised [2]rotaxanes using small exo-substituted macrocycles: how small is too small?","Chem.Commun.","2014","50","","7044","","10.1039/C4CC03077J","","","1.5418","CuKα","","0.0389","0.036","","","0.0895","0.0934","","","","","","0.957","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114798","18.1461","0.0003","14.8718","0.0001","23.3306","0.0004","90","","92.654","0.001","90","","6289.36","0.16","173","2","173","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","resorcarene","4,6,16,18-Tetrahydroxy-10,12,22,24-tetrakis- (mesitylsulfonyloxy)-2,8,14,20-(tetramethyl-calix[4]arene","","- C138.8 H142.5 O37.35 S8 -","- C138.8 H142.5 O37.35 S8 -","- C277.6 H285 O74.7 S16 -","2","1","","Shivanyuk, Alexander","Folding and dimerization of resorcarene tetrasulfonates","Chemical Communications","2001","","16","1472","","10.1039/b104076f","","","0.71073","MoKα","","0.0965","0.0693","","","0.1721","0.1896","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115106","17.4715","0.0015","9.8009","0.0011","20.0372","0.0008","90","","90.004","0.006","90","","3431.1","0.5","183","2","183","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C62 H92 Br Cl8 N7 -","- C62 H98 Br Cl8 N7 -","- C124 H196 Br2 Cl16 N14 -","2","1","","Cafeo, Grazia; Kohnke, Franz H.; Torre, Giovanna L. La; White, Andrew J. P.; Williams, David J.","The complexation of halide ions by a calix[6]pyrrole","Chemical Communications","2000","","13","1207","","10.1039/b002239j","","","1.54178","CuKα","","0.0555","0.054","","0.1447","0.1417","","","","1.051","1.058","1.058","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115107","17.5921","0.0009","9.9697","0.0007","20.0503","0.0011","90","","90.55","0.004","90","","3516.4","0.4","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C62 H98 Cl9 N7 -","- C62 H98 Cl9 N7 -","- C124 H196 Cl18 N14 -","2","1","","Cafeo, Grazia; Kohnke, Franz H.; Torre, Giovanna L. La; White, Andrew J. P.; Williams, David J.","The complexation of halide ions by a calix[6]pyrrole","Chemical Communications","2000","","13","1207","","10.1039/b002239j","","","1.54178","CuKα","","0.0637","0.0534","","0.1635","0.1474","","","","1.05","1.077","1.077","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115395","4.7202","0.0003","13.9971","0.0008","8.1756","0.0006","90","","92.621","0.002","90","","539.59","0.06","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C18 H28 N8 O6 -","2","1","","Estela Haldon; Eleuterio Alvarez; M. Carmen Nicasio; Pedro J. Perez","1,2,3-Triazoles from carbonyl azides and alkynes: filling the gap","Chem.Commun.","2014","50","","8978","","10.1039/C4cc03614J","","","0.71073","MoKα","","0.0269","0.0257","","","0.0708","0.0717","","","","","","1.076","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115599","4.5349","0.0009","11.591","0.002","10.686","0.002","90","","98.22","0.03","90","","555.93","0.18","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H10 F N3 O -","- C12 H10 F N3 O -","- C24 H20 F2 N6 O2 -","2","1","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","0.71073","MoKα","","0.0825","0.0774","","","0.2479","0.267","","","","","","1.211","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7116619","7.6122","0.0002","18.1368","0.0006","14.751","0.0005","90","","96.894","0.002","90","","2021.81","0.11","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C37 H40 Cl2 Li2 N4 O14 -","- C37 H40 Cl2 Li2 N4 O14 -","- C74 H80 Cl4 Li4 N8 O28 -","2","1","","Krzysztof Ziach; Janusz Jurczak","Mirror symmetry breaking upon spontaneous crystallization from a dynamic combinatorial library of macrocyclic imines","Chem.Commun.","2015","51","","4306","","10.1039/C4cc10083B","","","0.71073","MoKα","","0.0601","0.0454","","","0.122","0.1261","","","","","","1.034","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7117097","6.0119","0.0006","15.806","0.0014","8.3765","0.0008","90","","98.292","0.009","90","","787.65","0.13","290.92","0.1","290.92","0.1","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C20 H19 Br -","- C20 H19 Br -","- C40 H38 Br2 -","2","1","","Xin-Xing Wu; Yi Shen; Wen-Long Chen; Si Chen; Xin-Hua Hao; Yu Xia; Peng-Fei Xu; Yong-Min Liang","Palladium-catalyzed ring opening of norbornene: efficient synthesis of methylenecyclopentane derivatives","Chem.Commun.","2015","51","","8031","","10.1039/C5cc02246K","","","0.71073","MoKα","","0.0736","0.0508","","","0.0853","0.0999","","","","","","1.045","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117774","4.1982","0.0001","14.3433","0.0003","13.6017","0.0003","90","","94.707","0.002","90","","816.28","0.03","200","2","200","2","","","","","","","","6","P 1 n 1","P -2yac","7","","catena-poly[(m3-iodide)(2-amino-5-nitropyridine)copper(I)]","","- C10 H10 Cu2 I2 N6 O4 -","- C10 H10 Cu2 I2 N6 O4 -","- C20 H20 Cu4 I4 N12 O8 -","2","1","","P. Amo-Ochoa; K. Hassanein; C. J. Gomez-Garcia; S. Benmansour; J. Perles; O. Castillo; J. I. Martinez; P. Oconf; F. Zamora","Reversible stimulus-responsive Cu(I) iodide pyridine coordination polymer","Chem.Commun.","2015","51","","14306","","10.1039/C5cc04746C","","","0.71073","MoKα","","0.0234","0.0221","","","0.0472","0.0479","","","","","","0.956","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117909","10.038","","21.042","","13.385","","90","","106.81","","90","","2706.37","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","(O C)8 Os2 (Ge Cl3) Cl","","- C8 Cl4 Ge O8 Os2 -","- C8 Cl4 Ge O8 Os2 -","- C48 Cl24 Ge6 O48 Os12 -","6","3","","Einstein, F.W.B.; Rushman, P.; Pomeroy, R.K.; Willis, A.C.","Preparation and Crystal Structure of (O C)5 Os Os(C O)3 (Ge Cl3)(Cl): A Compound With an Unsupported, Donor-Acceptor Metal-Metal Bond","Journal of the Chemical Society. Chemical Communications (1972-)","1983","1983","","854","855","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118237","7.7219","","5.8443","","29.0762","","90","","94.278","","90","","1308.53","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Bi Pb2 V O6","","- Bi O6 Pb2 V -","- Bi O6 Pb2 V -","- Bi8 O48 Pb16 V8 -","8","4","","Radosavljevic Evans, I.; Howard, J.A.K.; Withers, R.L.; Evans, J.S.O.","Ab initio structure determination of Bi Pb2 V O6 from powder diffraction data","Chemical Communications","2001","2001","","1984","1985","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118675","13.6132","0.0005","16.0212","0.0006","17.7762","0.0007","90","","94.329","0.002","90","","3865.9","0.3","180","2","180","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C24 H56 Al B Cl4 N2 O12 -","- C24 H56 Al B Cl4 N2 O12 -","- C96 H224 Al4 B4 Cl16 N8 O48 -","4","2","","Less, Robert J.; García-Rodríguez, Raúl; Simmonds, Hayley R.; Allen, Lucy K.; Bond, Andrew D.; Wright, Dominic S.","Use of crown ethers to isolate intermediates in ammonia-borane dehydrocoupling reactions.","Chemical communications (Cambridge, England)","2016","52","18","3650","3652","10.1039/c6cc00088f","","","1.54178","CuKα","","0.0821","0.0747","","","0.1859","0.1941","","","","","","1.085","","","","has coordinates","177643","2020-10-21","18:00:00",""
"7118808","7.323","0.0004","9.703","0.0006","13.3813","0.0008","90","","93.357","0.006","90","","949.18","0.1","169.6","","169.6","","","","","","","","","4","P 1 n 1","P -2yac","7","","C19-epi-ent-3","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C42 H52 N4 O12 -","2","1","","Yu, Kuan; Gao, Beiling; Liu, Zhaobo; Ding, Hanfeng","Enantioselective total synthesis and structural reassignment of (+)-alsmaphorazine E via a traceless chirality transfer strategy.","Chemical communications (Cambridge, England)","2016","52","24","4485","4488","10.1039/c6cc00930a","","","0.71073","MoKα","","0.0442","0.039","","","0.0923","0.0968","","","","","","1.066","","","","has coordinates","181552","2020-10-21","18:00:00",""
"7119795","6.7657","0.0003","13.1376","0.0007","11.8254","0.0006","90","","106.583","0.002","90","","1007.38","0.09","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C18 H32 O10 -","- C18 H32 O10 -","- C36 H64 O20 -","2","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.0698","0.0551","","","0.15","0.167","","","","","","1.045","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7120293","10.4108","0.0007","8.2731","0.0006","12.8841","0.0008","90","","92.532","0.002","90","","1108.62","0.13","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","exo-6,exo-9 bis(1-butylimidazole) nido-decaborane","","- C14 H36 B10 N4 -","- C14 H36 B10 N4 -","- C28 H72 B20 N8 -","2","1","","Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane","Chem. Commun.","2017","","","","","10.1039/C7CC03322B","","","0.71073","MoKα","","0.0366","0.0337","","","0.083","0.0844","","","","","","1.032","","","","has coordinates","197948","2020-10-21","18:00:00",""
"7120346","9.131","0.002","11.42","0.002","9.833","0.002","90","","107.26","0.03","90","","979.2","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C50 H42 N2 O4 S2 -","2","1","","Kaicharla, Trinadh; Jacob, Anu; Gonnade, Rajesh G.; Biju, Akkattu","AgOTf-Catalyzed dehydrative [3+2] annulation of aziridines with 2-naphthols","Chem. Commun.","2017","","","","","10.1039/C7CC03425C","","","0.71073","MoKα","","0.0275","0.0275","","","0.074","0.074","","","","","","1.041","","","","has coordinates","198180","2020-10-21","18:00:00",""
"7120830","3.9655","0.0005","19.103","0.003","5.2888","0.0009","90","","93.343","0.014","90","","399.96","0.11","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H7 Cu O2 S -","- C8 H7 Cu O2 S -","- C16 H14 Cu2 O4 S2 -","2","1","","Veselska, Oleksandra; Podbevsek, Darjan; Ledoux, Gilles; Fateeva, Alexandra; Demessence, Aude","Intrinsic Triple-Emitting 2D Copper Thiolate Coordination Polymer as a Ratiometric Thermometer Working over 400 K Range","Chem. Commun.","2017","","","","","10.1039/C7CC06815H","","","0.71073","MoKα","","0.0898","0.0562","","0.2356","0.1306","0.142","","","","","","0.9488","","","","has coordinates","202339","2020-10-21","18:00:00",""
"7121265","3.8744","0.0004","12.8898","0.0009","8.1167","0.0006","90","","98.965","0.008","90","","400.4","0.06","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C18 H16 N4 O4 -","2","1","","Ventsi Dyulgerov; Rosica P. Nikolova; Louiza T. Dimova; K. Kossev; Boris L. Shivachev","Solvothermal synthesis of theophylline and N,N-(ethane-1,2-diyl)diformamide co-crystals from DMF decomposition and N-formylation trough catalytic effect of 3-carboxyphenylboronic acid and cadmium acetate","Bulgarian Chemical Communications","2015","47","","311","","","","","0.71073","MoKα","","0.0828","0.0633","","","0.1644","0.1786","","","","","","1.068","","","","has coordinates","206366","2020-10-21","18:00:00",""
"7121383","9.8145","0.0009","15.5763","0.0015","13.7943","0.0013","90","","90.023","0.003","90","","2108.8","0.3","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","3PhEt3PO","","","- C48 H56 B2 O2 P2 -","- C48 H56 B2 O2 P2 -","- C96 H112 B4 O4 P4 -","2","1","","Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel","Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes","Chemical Communications","2018","","","","","10.1039/C8CC01529E","","","0.71073","MoKα","","0.0721","0.0492","","","0.1004","0.1104","","","","","","1.025","","","","has coordinates","206874","2020-10-21","18:00:00",""
"7121437","10.6409","0.0009","9.1391","0.0007","12.7748","0.001","90","","91.516","0.008","90","","1241.89","0.17","294.47","0.1","294.47","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C28 H37 F2 N O2 -","- C28 H37 F2 N O2 -","- C56 H74 F4 N2 O4 -","2","1","","Zhao, Yin-Na; Luo, Yong-Chun; Wang, Zhu-Yin; Xu, Peng-Fei","A new approach to access difluoroalkylated diarylmethanes via visible-light photocatalytic cross-coupling reactions.","Chemical communications (Cambridge, England)","2018","54","32","3993","3996","10.1039/c8cc01486h","","x-ray","0.71073","MoKα","","0.0625","0.0494","","","0.133","0.1499","","","","","","0.969","","","","has coordinates","228086","2020-10-21","18:00:00",""
"7121933","7.9466","0.0003","11.7823","0.0005","14.7072","0.0006","90","","99.3301","0.0014","90","","1358.81","0.1","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H33 N6 O9 Yb -","- C27 H33 N6 O9 Yb -","- C54 H66 N12 O18 Yb2 -","2","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0376","0.0274","","","0.0443","0.046","","","","","","0.984","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7122601","7.1981","0.0009","24.07","0.003","7.4585","0.0009","90","","90.75","0.002","90","","1292.1","0.3","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C24 H26 N2 O10 Zn2 -","- C24 H26 N2 O10 Zn2 -","- C48 H52 N4 O20 Zn4 -","2","1","","Volodin, Alexander D.; Korlyukov, Alexander A.; Zorina-Tikhonova, Ekaterina N; Chistyakov, Aleksandr S.; Sidorov, Aleksei A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Diastereoselective solid-state crossed photocycloaddition of olefins in a 3D Zn(ii) coordination polymer.","Chemical communications (Cambridge, England)","2018","54","98","13861","13864","10.1039/c8cc07734g","","","0.71073","MoKα","","0.1029","0.0843","","","0.188","0.198","","","","","","1.02","","","","has coordinates,has disorder","228252","2020-10-21","18:00:00",""
"7122758","7.8954","0.0008","22.637","0.002","11.695","0.0011","90","","90.952","0.007","90","","2089.9","0.3","123","","123","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C18 H38 N4 O7 -","- C18 H38 N4 O7 -","- C72 H152 N16 O28 -","4","2","","Hanusch, Jan M.; Kerschgens, Isabel; Huber, Florian; Neuburger, Markus; Gademann, Karl","Pyrrolizidines for Direct Air Capture and CO2 Conversion","Chemical Communications","2018","","","","","10.1039/C8CC08574A","","","1.54178","CuKα","","0.0692","0.0453","","0.0773","0.0473","0.0519","","","","","","1.1157","","","","has coordinates","212735","2020-10-21","18:00:00",""
"7123531","6.0342","0.00009","11.41823","0.00012","11.96434","0.00012","90","","96.3702","0.001","90","","819.252","0.017","100","0.7","100","0.7","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H19 B O3 S -","- C18 H19 B O3 S -","- C36 H38 B2 O6 S2 -","2","1","","Li, Mengke; Cai, Xinyi; Qiao, Zhenyang; Liu, Kunkun; Xie, Wentao; Wang, Liangying; Zheng, Nan; Su, Shi-Jian","Achieving high-efficiency purely organic room-temperature phosphorescence from boronic ester substitution of phenoxathiine","Chemical Communications","2019","","","","","10.1039/C9CC02648G","","x-ray","1.54184","CuKα","","0.0261","0.0261","","","0.0692","0.0692","","","","","","1.102","","","","has coordinates","215459","2020-10-21","18:00:00",""
"7123532","6.4631","0.0001","10.9896","0.0002","11.8559","0.0003","90","","90.511","0.002","90","","842.05","0.03","100","0.9","100","0.9","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H19 B O2 S2 -","- C18 H19 B O2 S2 -","- C36 H38 B2 O4 S4 -","2","1","","Li, Mengke; Cai, Xinyi; Qiao, Zhenyang; Liu, Kunkun; Xie, Wentao; Wang, Liangying; Zheng, Nan; Su, Shi-Jian","Achieving high-efficiency purely organic room-temperature phosphorescence from boronic ester substitution of phenoxathiine","Chemical Communications","2019","","","","","10.1039/C9CC02648G","","x-ray","1.54184","CuKα","","0.0456","0.0455","","","0.1274","0.1275","","","","","","1.106","","","","has coordinates","215459","2020-10-21","18:00:00",""
"7123820","7.7219","0.0002","5.8443","0.0001","29.0762","0.0007","90","","94.278","0.002","90","","1308.53","0.05","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Bi4 O24 Pb8 V4 -","- Bi4 O24 Pb8 V4 -","- Bi8 O48 Pb16 V8 -","2","1","","Evans, John; Evans, Ivana R.; Howard, Judith A. K.; Withers, Ray L.","Ab initio structure determination of BiPb2VO6 from powder diffraction data","Chemical Communications","2001","19","","1984","1985","10.1039/B105242J","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","216936","2020-10-21","18:00:00",""
"7124069","5.8755","0.0008","9.7514","0.0014","23.346","0.003","90","","96.573","0.002","90","","1328.8","0.3","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C32 H29 N O2 S -","- C32 H29 N O2 S -","- C64 H58 N2 O4 S2 -","2","1","","Zhou, Ming-Bo; Pi, Rui; Teng, Fan; Li, Yang; Li, Jin-Heng","Ring-Opening Formal Hetero-[5+2] Cycloaddition of 1-Tosyl-2,3-dihydro-1H-pyrroles pyrroles with Terminal Alkynes: Entry to 1-Tosyl-2,3-dihydro 2,3-Dihydro-1H-azepines","Chemical Communications","2019","","","","","10.1039/C9CC05082E","","","0.71073","MoKα","","0.0485","0.0398","","","0.0967","0.1017","","","","","","1.031","","","","has coordinates","217796","2020-10-21","18:00:00",""
"7124122","8.1606","0.0003","40.3164","0.0008","11.4724","0.0004","90","","106.081","0.003","90","","3626.8","0.2","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C43 H19 F10 Fe N5 O3 -","- C43 H19 F10 Fe N5 O3 -","- C172 H76 F40 Fe4 N20 O12 -","4","2","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Diskin-Posner, Yael; Shimon, Linda JW; Gross, Zeev","Superstructured metallocorroles for electrochemical CO2 reduction","Chemical Communications","2019","","","","","10.1039/C9CC06645D","","","1.54184","CuKα","","0.0605","0.0528","","","0.1378","0.1434","","","","","","1.083","","","","has coordinates,has disorder","218049","2020-10-21","18:00:00",""
"7124540","5.43658","0.00014","5.70292","0.00017","25.123","0.0006","90","","93.371","0.002","90","","777.58","0.04","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H18 O2 S2 -","- C16 H18 O2 S2 -","- C32 H36 O4 S4 -","2","1","","Riant, Olivier; Rout, Saroj Kumar; Marghem, Gilles; Lan, Junji; Leyssens, Tom","A Radical Exchange Process: Synthesis of Bicyclo [1.1.1]pentane Derivatives of Xanthates","Chemical Communications","2019","","","","","10.1039/C9CC07610G","","","0.71073","MoKα","","0.0262","0.0253","","","0.068","0.0688","","","","","","1.076","","","","has coordinates","231186","2020-10-21","18:00:00",""
"7124669","10.2417","0.0002","18.3288","0.0003","21.5881","0.0004","90","","95.3341","0.0011","90","","4034.93","0.13","100","2","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H58 F4 Mo N6 P4 -","- C34 H58 F4 Mo N6 P4 -","- C136 H232 F16 Mo4 N24 P16 -","4","2","","Egbert, Jonathan D.; O'Hagan, Molly; Wiedner, Eric S.; Bullock, R. Morris; Piro, Nicholas A.; Kassel, W. Scott; Mock, Michael T.","Putting chromium on the map for N2 reduction: production of hydrazine and ammonia. A study of cis-M(N2)2 (M = Cr, Mo, W) bis(diphosphine) complexes.","Chemical communications (Cambridge, England)","2016","52","60","9343","9346","10.1039/c6cc03449g","","","0.71073","MoKα","","0.0969","0.0528","","","0.0908","0.1071","","","","","","1.003","","","","has coordinates","234098","2020-10-21","18:00:00",""
"7124672","10.2469","0.0002","18.3292","0.0003","21.5498","0.0004","90","","95.426","0.001","90","","4029.29","0.13","100","","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H58 F4 N6 P4 W -","- C34 H58 F4 N6 P4 W -","- C136 H232 F16 N24 P16 W4 -","4","2","","Egbert, Jonathan D.; O'Hagan, Molly; Wiedner, Eric S.; Bullock, R. Morris; Piro, Nicholas A.; Kassel, W. Scott; Mock, Michael T.","Putting chromium on the map for N2 reduction: production of hydrazine and ammonia. A study of cis-M(N2)2 (M = Cr, Mo, W) bis(diphosphine) complexes.","Chemical communications (Cambridge, England)","2016","52","60","9343","9346","10.1039/c6cc03449g","","","0.71073","MoKα","","0.0383","0.0312","","","0.0601","0.063","","","","","","1.043","","","","has coordinates","234098","2020-10-21","18:00:00",""
"7125619","9.226","0.007","11.541","0.009","18.052","0.014","90","","98.414","0.018","90","","1901","3","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C29 H51 Cu F6 N3 Sb Si3 -","- C29 H51 Cu F6 N3 Sb Si3 -","- C58 H102 Cu2 F12 N6 Sb2 Si6 -","2","1","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.2138","0.0841","","","0.1605","0.2103","","","","","","1.012","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125824","7.9242","0.0003","9.1825","0.0004","18.631","0.0008","90","","93","0.001","90","","1353.81","0.1","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C37 H26 N2 O -","- C37 H26 N2 O -","- C74 H52 N4 O2 -","2","1","","Li, Xiaobin; Zhang, Chengxi; Wang, Chenchen; Ye, Wenqiang; Zhang, Qian; Zhang, Zhiyun; Su, Jianhua; Chen, Yifeng; Tian, He","Modular synthesis of (C-10 to C-13)-substituted-9,14-diaryl-9,14-dihydrodibenzo[a,c]phenazines via a subsequent Buchwald-Hartwig amination and C-H amination strategy.","Chemical communications (Cambridge, England)","2020","56","15","2260","2263","10.1039/c9cc09997b","","","0.71073","MoKα","","0.0422","0.0355","","","0.0827","0.0877","","","","","","1.086","","","","has coordinates","248845","2020-10-21","18:00:00",""
"7126179","11.6524","0.0007","4","0.0002","14.3571","0.0008","90","","92.273","0.007","90","","668.65","0.06","296","","296","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H10 N4 -","- C8 H5 N2 -","- C32 H20 N8 -","4","2","","Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori","Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.","Chemical communications (Cambridge, England)","2020","56","32","4484","4487","10.1039/d0cc01194k","","","1.54187","CuKα","","0.1641","0.1609","","","0.401","0.4065","","","","","","1.892","","","","has coordinates","251550","2020-10-21","18:00:00",""
"7126943","10.6478","0.0012","3.6669","0.0005","18.5931","0.0018","90","","90.737","0.004","90","","725.9","0.15","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C3 H21 B2 N3 O12 -","- C3 H21 B2 N3 O12 -","- C6 H42 B4 N6 O24 -","2","1","","Deng, Yalan; Wang, Lei; Ge, Yuwei; Huang, Ling; Gao, Daojiang; Bi, Jian; Zou, Guohong","(NH<sub>4</sub>)<sub>3</sub>[B(OH)<sub>3</sub>]<sub>2</sub>(COOH)<sub>3</sub>: a graphite-like UV nonlinear optical material with a large birefringence <i>via</i> structural optimization.","Chemical communications (Cambridge, England)","2020","56","69","9982","9985","10.1039/d0cc01881c","","","0.71073","MoKα","","0.0424","0.0342","","","0.075","0.0793","","","","","","1.094","","","","has coordinates","255960","2020-10-21","18:00:00",""
"7128093","13.9065","0.0003","12.1742","0.0003","18.3076","0.0004","90","","94.385","0.002","90","","3090.41","0.12","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C56 H53 B F24 N6 Ru Si3 -","- C56 H53 B F24 N6 Ru Si3 -","- C112 H106 B2 F48 N12 Ru2 Si6 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0457","0.0356","","","0.0763","0.0839","","","","","","1.0648","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128095","13.9065","0.0003","12.1742","0.0003","18.3076","0.0004","90","","94.385","0.002","90","","3090.41","0.12","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C56 H53 B F24 N6 Ru Si3 -","- C56 H53 B F24 N6 Ru Si3 -","- C112 H106 B2 F48 N12 Ru2 Si6 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0482","0.0382","","","0.0845","0.0924","","","","","","1.0579","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128241","8.81","0.05","17.21","0.1","18.39","0.1","90","","95","0.3","90","","2778","3","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C21 H41 B F3 N3 O Si3 -","- C21 H41 B F3 N3 O Si3 -","- C84 H164 B4 F12 N12 O4 Si12 -","4","2","","Parvin, Nasrina; Sen, Nilanjana; Muhasina, Puthan Veetil; Tothadi, Srinu; Parameswaran, Pattiyil; Khan, Shabana","The diverse reactivity of NOBF<sub>4</sub> towards silylene, disilene, germylene and stannylene.","Chemical communications (Cambridge, England)","2021","57","41","5008","5011","10.1039/d1cc01034d","","","0.71073","MoKα","","0.1426","0.0688","","","0.1298","0.1579","","","","","","1.064","","","","has coordinates","265852","2021-06-05","17:20:01",""
"7128245","8.74","0.02","17.01","0.04","18.55","0.03","90","","95.21","0.09","90","","2746","10","100","2","100","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C21 H41 B F3 Ge N3 O Si2 -","- C21 H41 B F3 Ge N3 O Si2 -","- C84 H164 B4 F12 Ge4 N12 O4 Si8 -","4","2","","Parvin, Nasrina; Sen, Nilanjana; Muhasina, Puthan Veetil; Tothadi, Srinu; Parameswaran, Pattiyil; Khan, Shabana","The diverse reactivity of NOBF<sub>4</sub> towards silylene, disilene, germylene and stannylene.","Chemical communications (Cambridge, England)","2021","57","41","5008","5011","10.1039/d1cc01034d","","","0.71073","MoKα","","0.1262","0.0675","","","0.1184","0.1409","","","","","","1.026","","","","has coordinates","265852","2021-06-05","17:20:02",""
"7129029","9.4802","0.0007","10.2175","0.0008","15.3118","0.0011","90","","99.894","0.001","90","","1461.1","0.19","173.15","","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","PB(N3SiMe3)","","","- C27 H49 B N3 P Si -","- C27 H49 B N3 P Si -","- C54 H98 B2 N6 P2 Si2 -","2","1","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","0.71073","MoKα","","0.0328","0.0301","","","0.0737","0.0755","","","","","","1.031","","","","has coordinates","270353","2021-11-06","18:46:15",""
"7129278","30.929","0.003","21.777","0.002","32.273","0.004","90","","96.882","0.002","90","","21581","4","100","","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C112 H159 Br12 Fe30 N16 O47 -","- C105 H135 Br12 Fe30 N15 O47 -","- C420 H540 Br48 Fe120 N60 O188 -","4","2","","Dearle, Alice E.; Cutler, Daniel J.; Coletta, Marco; Lee, Edward; Dey, Sourav; Sanz, Sergio; Fraser, Hector W. L.; Nichol, Gary S.; Rajaraman, Gopalan; Schnack, Jürgen; Cronin, Leroy; Brechin, Euan K.","An [FeIII30] molecular metal oxide","Chemical Communications","2021","","","","","10.1039/D1CC06224G","","x-ray","0.6889","Synchrotron","","0.0794","0.0549","","","0.1405","0.153","","","","","","1.038","","","","has coordinates","270810","2021-11-22","22:56:40",""
"7129470","13.5796","0.0014","13.6534","0.0015","15.0168","0.0017","90","","94.063","0.006","90","","2777.2","0.5","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C55 H80 Ge2 N4 O2 P2 -","- C55 H80 Ge2 N4 O2 P2 -","- C110 H160 Ge4 N8 O4 P4 -","2","1","","Fan, Jun; Quek, Shina; Yang, Ming-Chung; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Reversible CO2 activation by a N-phosphinoamidinato digermyne","Chemical Communications","2022","","","","","10.1039/D1CC05391D","","","1.54178","CuKα","","0.0643","0.0582","","","0.1489","0.1575","","","","","","1.03","","","","has coordinates,has disorder","271620","2021-12-24","23:08:15",""
"7129847","14.305","0.004","15.217","0.004","21.403","0.007","90","","105.807","0.011","90","","4483","2","100","","100","","","","","","","","see text","4","P 1 n 1","P -2yac","7","","","","- C118 H100 Al2 Ni2 -","- C118 H100 Al2 Ni2 -","- C236 H200 Al4 Ni4 -","2","1","","Heiß, Patricia; Hornung, Julius; Gemel, Christian; Fischer, Roland A.","A combinatorial coordination-modulated approach to all-hydrocarbon-ligated intermetallic clusters","Chemical Communications","2022","","","","","10.1039/D2CC00396A","","x-ray","0.71073","MoKα","","0.0456","0.0383","","","0.0861","0.0895","","","","","","1.04","","","","has coordinates","273702","2022-03-15","22:59:42",""
"7130006","12.9702","0.0002","8.55111","0.00017","19.0278","0.0004","90","","97.3886","0.0017","90","","2092.84","0.07","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C29 H59 B2 F8 N3 O12 -","- C29 H59 B2 F8 N3 O12 -","- C58 H118 B4 F16 N6 O24 -","2","1","","Li, Yi-Rong; Zhang, Yun-Fang; Tang, Yuan-Yuan; Zhang, Han-Yue","[(Histamine)(18-crown-6)<sub>2</sub>][BF<sub>4</sub>]<sub>2</sub> is a high-temperature piezoelectric.","Chemical communications (Cambridge, England)","2022","58","33","5148","5151","10.1039/d2cc00818a","","","0.71","MoKα","","0.1026","0.0958","","","0.3067","0.3255","","","","","","1.29","","","","has coordinates,has disorder","274626","2022-04-21","21:57:47",""
"7130064","19.2614","0.0016","5.0789","0.0004","19.9253","0.0017","90","","115.61","0.01","90","","1757.7","0.3","295","2","295","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","2","","Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.","A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine","Chemical Communications","2022","","","","","10.1039/D2CC01892F","","","0.71073","MoKα","","0.085","0.0548","","","0.1242","0.1507","","","","","","1.082","","","","has coordinates","275081","2022-05-05","21:53:00",""
"7130909","9.0934","0.0007","11.9605","0.001","17.7211","0.0015","90","","95.805","0.005","90","","1917.5","0.3","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H20 N2 O2 S2 -","- C20 H20 N2 O2 S2 -","- C80 H80 N8 O8 S8 -","4","2","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0789","0.0589","","","0.141","0.1569","","","","","","0.925","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130911","10.5437","0.0004","7.8373","0.0003","10.7574","0.0004","90","","103.088","0.0018","90","","865.84","0.06","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C9 H9 N O2 S -","- C9 H9 N O2 S -","- C36 H36 N4 O8 S4 -","4","2","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.028","0.0265","","","0.0771","0.0815","","","","","","0.657","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7131607","8.5935","0.0008","10.4364","0.0009","10.8779","0.0009","90","","94.61","0.003","90","","972.43","0.15","296.15","","296.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H14 Br2 F6 N2 O3 -","- C16 H14 Br2 F6 N2 O3 -","- C32 H28 Br4 F12 N4 O6 -","2","1","","Luo, Xian; Xu, Meng-Meng; Xu, Xiao-Ping; Ji, Shun-Jun","NBS-induced intramolecular annulation reactions for the divergent synthesis of fused- and spirocyclic indolines.","Chemical communications (Cambridge, England)","2023","59","43","6576","6579","10.1039/d3cc01920a","","","0.71073","MoKα","","0.065","0.0427","","","0.0988","0.1087","","","","","","1.037","","","","has coordinates","284182","2023-06-05","03:40:03",""
"7132189","3.9947","0.0002","13.9322","0.0005","9.8346","0.0004","90","","100.133","0.004","90","","538.81","0.04","300","","300","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C26 H20 Cl2 N2 -","2","1","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0378","0.0357","","","0.1007","0.1033","","","","","","1.053","","","","has coordinates","286850","2023-10-09","21:56:34",""
"7132364","10.5744","0.001","11.146","0.001","23.328","0.002","90","","99.659","0.004","90","","2710.5","0.4","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C27 H35 Cl2 N O3 S -","- C27 H35 Cl2 N O3 S -","- C108 H140 Cl8 N4 O12 S4 -","4","2","","He, Jiwen; Li, Xiaohua; He, Qiuqin; Fan, Renhua","Cascade alkyl migration in 2-alkynylanilines for the synthesis of benzenoid ring multi-functionalized indoles.","Chemical communications (Cambridge, England)","2023","60","1","71","74","10.1039/d3cc04815b","","","1.34139","GaKα","","0.0428","0.04","","","0.1058","0.1083","","","","","","1.04","","","","has coordinates","289324","2024-02-04","11:01:44",""
"7132538","12.1657","0.0009","18.5693","0.0011","19.1345","0.0013","90","","102.701","0.005","90","","4216.9","0.5","150.02","","150.02","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C43 H33.5 Cl4 F2 Ga N3 P2 -","- C43 H33.5 Cl4 F2 Ga N3 P2 -","- C172 H134 Cl16 F8 Ga4 N12 P8 -","4","2","","Kim, Hyehwang; Lough, Alan; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Addition and NN bond cleavage of diazo-compounds by phosphino-phosphenium cations.","Chemical communications (Cambridge, England)","2024","60","8","1031","1034","10.1039/d3cc05728c","","","0.71073","MoKα","","0.1302","0.0676","","","0.1489","0.1843","","","","","","1.0654","","","","has coordinates","289330","2024-02-04","11:04:16",""
"7132887","8.577","0.004","16.525","0.007","29.33","0.012","90","","98.477","0.008","90","","4112","3","294","2","294","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","4","","Solanke, Pooja R.; Kumar, Prakash; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari","Synthesis of <i>cis</i>-fused cyclopentenone-pyrrolidine scaffolds <i>via</i> sequential aza-Piancatelli and Conia-ene type reactions in one pot.","Chemical communications (Cambridge, England)","2024","60","31","4234","4237","10.1039/d4cc00104d","","","0.71073","MoKα","","0.0701","0.044","","","0.0965","0.1078","","","","","","1.01","","","","has coordinates","291541","2024-05-05","01:09:22",""
"7133018","16.7438","0.001","14.268","0.001","20.0197","0.0014","90","","97.276","0.002","90","","4744.2","0.5","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C92 H150 Ca N4 Ni2 O12 -","- C92 H150 Ca N4 Ni2 O12 -","- C184 H300 Ca2 N8 Ni4 O24 -","2","1","","Wolff, Siad; Ponsonby, Annabelle; Dallmann, Andre; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian","Appropriation of group II metals: Synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes","Chemical Communications","2024","","","","","10.1039/D4CC01682C","","","0.71073","MoKα","","0.0432","0.0374","","","0.0932","0.0985","","","","","","1.031","","","","has coordinates,has disorder","291753","2024-05-07","21:57:58",""
"7150394","12.3959","0.0008","19.1294","0.0012","12.9148","0.0008","90","","112.855","0.001","90","","2822","0.3","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C58 H64 B2 F8 N4 O12 -","- C58 H64 B2 F8 N4 O12 -","- C116 H128 B4 F16 N8 O24 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1284","0.095","","","0.2081","0.2236","","","","","","1.117","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150602","7.4781","0.0001","22.6399","0.0003","23.883","0.0003","90","","97.0449","0.0007","90","","4012.95","0.09","160","1","160","1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26.25 H16.5 Cl0.5 N2 O2 -","- C26.25 H16.5 Cl0.5 N2 O2 -","- C210 H132 Cl4 N16 O16 -","8","4","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0753","0.0563","","","0.1289","0.138","","","","","","1.074","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151406","12.489","0.002","7.509","0.002","14.639","0.003","90","","93.61","0.03","90","","1370.1","0.5","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","cis-anti-cis isomer (B) (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane N,N'-(thiocarbamoyl)hydrazine clathrate","cis-anti-cis isomer (B) (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane N,N'-(thiocarbamoyl)hydrazine clathrate","","- C22 H42 N4 O6 S2 -","- C22 H42 N4 O6 S2 -","- C44 H84 N8 O12 S4 -","2","1","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0315","0.0303","","","0.0789","0.0796","","","","","","1.067","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151581","6.7584","0.0015","4.0939","0.0009","22.946","0.005","90","","97.097","0.004","90","","630","0.2","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C8 H2 Cl I N2 S2 Se2 -","- C8 H2 Cl I N2 S2 Se2 -","- C16 H4 Cl2 I2 N4 S4 Se4 -","2","1","","Suizu, Rie; Imakubo, Tatsuro","Synthesis and properties of hetero-halogenated TTFsElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/ob/b3/b310822h/","Organic & Biomolecular Chemistry","2003","1","21","3629","","10.1039/b310822h","","","0.71073","MoKα","","0.0628","0.0602","","","0.1572","0.1595","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7152679","21.771","0.011","8.336","0.004","21.888","0.011","90","","119.815","0.005","90","","3447","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1 n 1","P -2yac","7","","","","- C72 H105 N9 O7 -","- C72 H105 N9 O7 -","- C144 H210 N18 O14 -","2","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.116","0.0956","","","0.1508","0.1706","","","","","","1.088","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7154267","10.9708","0.0004","8.8036","0.0003","11.9111","0.0005","90","","101.686","0.004","90","","1126.56","0.08","171.4","","171.4","","","","","","","","","5","P 1 n 1","P -2yac","7","5o","5o","","- C27 H29 N O2 S -","- C27 H29 N O2 S -","- C54 H58 N2 O4 S2 -","2","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","1.54184","CuKα","","0.0565","0.0517","","","0.1351","0.1417","","","","","","1.033","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154454","6.7051","0.0003","14.1443","0.0006","15.7774","0.0006","90","","101.326","0.004","90","","1467.17","0.11","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","(1R*,3R*)-1-(4-(tert-butyl)phenyl)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)propyl 4-nitrobenzoate","","- C27 H24 Cl5 N2 O7 -","- C27 H24 Cl5 N2 O7 -","- C54 H48 Cl10 N4 O14 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0388","0.0374","","","0.0925","0.0938","","","","","","1.025","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154699","17.53","0.003","9.8","0.002","26.749","0.005","90","","92.39","0.03","90","","4591.3","1.5","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C157 H59 Cl3 N2 -","- C157 H59 Cl3 N2 -","- C314 H118 Cl6 N4 -","2","1","","Zhang, Bolong; White, Jonathan M.; Jones, David J.; Wong, Wallace W. H.","Regioselective synthesis of fullerene multiadducts via tether-directed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2015","13","42","10505","10510","10.1039/c5ob01630d","","","0.71073","Synchrotron","","0.1687","0.1435","","","0.3772","0.4076","","","","","","1.579","","","","has coordinates","171354","2020-10-21","18:00:00",""
"7155828","3.8441","0.0003","14.0818","0.0011","8.2393","0.0007","90","","101.091","0.005","90","","437.68","0.06","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C18 H18 N6 O4 -","2","1","","Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna","Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01731F","","","0.7749","synchrotron","","0.0454","0.0365","","","0.0846","0.0889","","","","","","1.072","","","","has coordinates","199793","2020-10-21","18:00:00",""
"7156796","6.13461","0.00018","13.8919","0.0005","10.4572","0.0004","90","","91.4472","0.0018","90","","890.89","0.05","296","","296","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H25 N2 O2 S -","- C18 H24 N2 O2 S -","- C36 H48 N4 O4 S2 -","2","1","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","","0.0446","","","","0.1357","","","","","","1.213","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156846","8.2948","0.0019","26.144","0.006","14.533","0.003","90","","94.408","0.004","90","","3142.3","1.2","273","2","273","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H19 F I O2 P -","- C22 H19 F I O2 P -","- C132 H114 F6 I6 O12 P6 -","6","3","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0933","0.0715","","","0.17","0.1844","","","","","","0.948","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7157072","9.394","0.0019","10.781","0.002","13.904","0.003","90","","106.87","0.03","90","","1347.6","0.5","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C31 H29 N3 O5 -","- C31 H29 N3 O5 -","- C62 H58 N6 O10 -","2","1","","Zhu, Jindong; Fang, Shuaishuai; Jin, Shiyi; Ma, Rui; Lu, Tao; Du, Ding","Application of isatin-derived saturated esters in the synthesis of 3,3'-spirooxindole γ-butyrolactams.","Organic & biomolecular chemistry","2019","17","38","8745","8748","10.1039/c9ob01347d","","","0.71073","MoKα","","0.0931","0.0626","","","0.1457","0.1651","","","","","","1.003","","","","has coordinates","225290","2020-10-21","18:00:00",""
"7157151","8.7248","0.0013","8.5852","0.001","11.534","0.0017","90","","105.252","0.017","90","","833.5","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H14 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1186","0.062","","","0.1374","0.1707","","","","","","1.012","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157210","13.1159","0.0007","10.7662","0.0006","23.776","0.0012","90","","102.7","0.0009","90","","3275.2","0.3","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","3g","","","- C36 H38 Cl N O4 S -","- C36 H38 Cl N O4 S -","- C144 H152 Cl4 N4 O16 S4 -","4","2","","Zhao, Kun; Wang, Junwei; pan, xiang; Zhao, Lei; zhao, lin; Liu, Jian; zhi, ying; wang, ai; Hu, Lihong","Diastereoselective construction of 3-aryl-substituted indolines via annulation of in situ generated p-quinone methides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02351H","","","0.71073","","","0.0703","0.052","","","0.1082","0.1196","","","","","","1.017","","","","has coordinates","227939","2020-10-21","18:00:00",""
"7157635","14.1319","0.0005","3.8682","0.0001","15.5153","0.0005","90","","110.946","0.001","90","","792.1","0.04","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","2","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.027","0.026","","","0.0687","0.0704","","","","","","1.049","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157780","16.216","0.0005","8.5645","0.0002","16.5649","0.0005","90","","117.934","0.001","90","","2032.52","0.1","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C12 H7 N3 S -","- C12 H7 N3 S -","- C96 H56 N24 S8 -","8","4","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping; Zhao, Jixing; Wei, Yu","NCS-promoted thiocyanation and selenocyanation of pyrrolo[1,2-a]quinoxalines","Organic & Biomolecular Chemistry","2020","18","44","9088","9094","10.1039/D0OB01818J","","","0.71073","MoKα","","0.0683","0.0451","","","0.0869","0.0997","","","","","","1.046","","","","has coordinates","259456","2020-12-02","05:34:38",""
"7158670","4.4392","0.0001","6.5027","0.0001","22.2547","0.0003","90","","91.313","0.001","90","","642.25","0.02","298","","298","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H10 O5 -","- C16 H10 O5 -","- C32 H20 O10 -","2","1","","Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin","Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile.","Organic & biomolecular chemistry","2022","20","19","3917","3921","10.1039/d2ob00623e","","x-ray","1.54184","CuKα","","0.0284","0.0283","","","0.0744","0.0747","","","","","","1.1546","","","","has coordinates","275819","2022-06-06","02:03:17",""
"7201119","9.2973","0.0019","18.077","0.004","16.677","0.003","90","","92.36","0.03","90","","2800.5","1","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)","1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)","","- C34 H38 O4 -","- C34 H38 O4 -","- C136 H152 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.0742","0.045","","","0.1016","0.1146","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7204406","7.71529","0.00001","5.84864","0.00001","29.08203","0.00003","90","","94.255","0.00004","90","","1308.68","0.003","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","Bismuth Lead Vanadate","","","- Bi O6 Pb2 V -","- Bi8 O48 Pb16 V8 -","- Bi8 O48 Pb16 V8 -","","","","Evans, Ivana Radosavljevic; Evans, John S. O.; Howard, Judith A. K.","Variable temperature structural study of bismuth lead vanadate, BiPb2VO6","Journal of Materials Chemistry","2002","12","9","2648","","10.1039/b202648a","","","","","","","","","","","","","","","","","","","","","has coordinates","277890","2022-09-15","15:36:09",""
"7206787","6.7065","0.0002","18.5969","0.0006","7.1006","0.0002","90","","99.5","0.002","90","","873.44","0.05","123","2","123","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C14 H20 Br2 N6 O4 -","- C14 H20 Br2 N6 O4 -","- C28 H40 Br4 N12 O8 -","2","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.03","0.0279","","","0.068","0.0689","","","","","","1.065","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7207486","6.054","0.002","6.965","0.003","16.346","0.006","90","","95.86","0.03","90","","685.6","0.5","165","0.2","165","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","chloroform methylethylketone co-crystal","trichloromethane butanone-2 clathrate (2:1)","","- C6 H10 Cl6 O -","- C6 H10 Cl6 O -","- C12 H20 Cl12 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.1068","0.0497","","","0.1044","0.1205","","","","","","0.957","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207832","7.1438","0.0002","10.8234","0.0002","15.2054","0.0003","90","","99.562","0.001","90","","1159.35","0.05","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H25 N O5 S -","- C29 H25 N O5 S -","- C58 H50 N2 O10 S2 -","2","1","","Kim, Pil-Joo; Jazbinsek, Mojca; Jeong, Jae-Hyeok; Kim, Jong-Taek; Lee, Yoon Sup; Jung, Yeong-Min; Lee, Soon W.; Kwon, O-Pil","New acentric quinolinium crystal with high order parameter for nonlinear optical and electro-optic applications","CrystEngComm","2012","14","10","3633","","10.1039/c2ce06667j","","","0.71073","MoKα","","0.0544","0.0394","","","0.0851","0.0918","","","","","","1.042","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7208572","4.4592","0.0005","15.3668","0.0011","13.3336","0.0012","90","","90.602","0.008","90","","913.62","0.15","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C19 H17 N3 O7 -","- C19 H17 N3 O7 -","- C38 H34 N6 O14 -","2","1","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.5418","CuKα","","0.0433","0.0364","","","0.0787","0.0834","","","","","","1.024","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7209256","22.1775","0.0005","7.3566","0.0002","22.1781","0.0005","90","","94.089","0.001","90","","3609.17","0.15","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C48 H63 O64 Zn8 -","- C48 H16 O64 Zn8 -","- C96 H32 O128 Zn16 -","2","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0762","0.068","","","0.1953","0.2035","","","","","","1.04","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7211964","7.6168","0.0002","15.2552","0.0005","52.3376","0.0016","90","","89.976","0.002","90","","6081.4","0.3","293","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.71073","MoKα","","0.0369","0.0365","","0.0242","0.0241","0.0241","","","","","","1.0526","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211965","7.6837","0.0002","15.5843","0.0006","52.1546","0.0016","90","","89.933","0.002","90","","6245.3","0.3","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.71073","MoKα","","0.0501","0.0455","","0.0417","0.0399","0.0399","","","","","","1.1069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211966","7.3592","0.0007","14.601","0.002","51.188","0.009","90","","89.989","0.01","90","","5500.2","1.3","293","","293","","","","1500000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1132","0.0858","","0.1309","0.0899","0.0899","","","","","","1.0111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211967","7.2634","0.0003","14.412","0.0011","50.836","0.004","90","","89.966","0.005","90","","5321.5","0.6","293","","293","","","","2200000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1072","0.0839","","0.1341","0.0918","0.0918","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211968","7.1346","0.0006","14.165","0.002","50.433","0.008","90","","89.88","0.009","90","","5096.8","1.2","293","","293","","","","3700000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1203","0.0839","","0.1336","0.089","0.089","","","","","","1.0078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211969","7.0316","0.0006","14.0254","0.0019","50.157","0.008","90","","89.796","0.009","90","","4946.5","1.1","293","","293","","","","4900000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.0906","0.0767","","0.0901","0.0762","0.0762","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212442","7.4697","0.0008","5.681","0.0007","14.0467","0.0016","90","","91.8","0.002","90","","595.78","0.12","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C28 H28 O4 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0399","0.0354","","","0.0786","0.081","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212449","8.5839","0.0006","5.5077","0.0003","15.7646","0.0011","90","","104.481","0.007","90","","721.63","0.08","123","2","123","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54184","CuKα","","0.0327","0.0314","","","0.0828","0.0838","","","","","","1.063","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212754","6.6153","0.0014","7.9832","0.0017","11.143","0.003","90","","99.763","0.005","90","","580","0.2","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","AR-1g-3 2-aminopyridine, 4-chlorobenzoic acid","","- C12 H11 Cl N2 O2 -","- C12 H11 Cl N2 O2 -","- C24 H22 Cl2 N4 O4 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0322","0.0297","","","0.0771","0.079","","","","","","1.087","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7213151","13.0923","0.0002","14.2717","0.0002","14.2197","0.0001","90","","90.308","0.001","90","","2656.9","0.06","298","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H52 N8 O43 P10 Zn12 -","- C12 H24 N8 O42.378 P10 Zn12 -","- C24 H48 N16 O84.756 P20 Zn24 -","2","1","","Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.","Unusual dual role of the organic amine in an open­framework structure","Journal of Materials Chemistry","1999","9","11","2789","","10.1039/a905506a","","","0.71073","MoKα","","0.0397","0.0372","","0.1115","0.1023","","","","1.165","1.095","1.095","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213233","14.6732","0.0016","10.8011","0.0019","18.8818","0.0017","90","","90.904","0.008","90","","2992.1","0.7","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","trans-1,4-di(1,1,2,3,3,3-hexafluoropropyl)-cyclohexane-1,4-diol","","- C12 H12 F12 O2 -","- C12 H11.75 F12 O2 -","- C96 H94 F96 O16 -","8","4","","Chambers, Richard D.; Diter, Patrick; Dunn, Stephen N.; Farren, Christopher; Sandford, Graham; Batsanov, Andrei S.; Howard, Judith A. K.","Free radical chemistry. Part 11. Additions of cyclic and acyclic alcohols and diols to hexafluoropropene","Journal of the Chemical Society, Perkin Transactions 1","2000","","10","1639","","10.1039/a909778c","","","1.54184","CuKα","","0.1844","0.137","","","0.3101","0.341","","","","","","2.121","","","","has coordinates,has disorder","180463","2020-10-21","18:00:00",""
"7213531","8.443","0.005","8.935","0.005","10.454","0.005","90","0.005","97.78","0.005","90","0.005","781.4","0.7","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C30 H40 N4 O10 -","2","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","","0.71069","MoKα","","0.0657","0.0499","","","0.1259","0.1382","","","","","","1.069","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213739","26.6368","0.001","7.1909","0.0002","8.6143","0.0003","90","","112.741","0.004","90","","1521.74","0.1","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","2","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0517","0.0419","","","0.1273","0.1377","","","","","","1.043","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213814","11.405","0.0008","11.156","0.0008","15.193","0.0011","90","","94.211","0.001","90","","1927.9","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C44 H34 Cu N6 O8 -","- C44 H34 Cu N6 O8 -","- C88 H68 Cu2 N12 O16 -","2","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0625","0.0402","","","0.0731","0.0786","","","","","","1.005","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7214532","17.0218","0.0005","10.599","0.0003","18.3064","0.0005","90","","106.073","0.001","90","","3173.63","0.16","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C55 H57.9 Co2 N4 O16.35 -","- C55.2 H48 Co2 N4 O16.35 -","- C110.4 H96 Co4 N8 O32.7 -","2","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0715","0.0569","","","0.1746","0.1951","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215351","6.9815","0.0019","15.436","0.004","11.831","0.003","90","","91.462","0.004","90","","1274.6","0.6","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H32 Ga2 N6 Se6 -","- C12 H32 Ga2 N6 Se6 -","- C24 H64 Ga4 N12 Se12 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0587","0.0453","","","0.0813","0.0868","","","","","","1.011","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7216080","16.4822","0.0002","27.7131","0.0003","22.9061","0.0003","90","","95.793","0.001","90","","10409.5","0.2","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C198 H234 N36 Ni6 O12 S12 -","- C198 H234 N36 Ni6 O12 S12 -","- C396 H468 N72 Ni12 O24 S24 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0869","0.0541","","","0.1188","0.1346","","","","","","1.003","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216633","18.1964","0.0007","8.1426","0.0003","3.9569","0.0001","90","","124.043","0.002","90","","485.8","0.03","293","","293","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C6 H6 Ca Cl2 N2 O -","- C6 H6 Ca Cl2 N2 O -","- C12 H12 Ca2 Cl4 N4 O2 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.222","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7217171","11.4682","0.0002","8.8977","0.0001","15.6872","0.0002","90","","94.074","0.001","90","","1596.69","0.04","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H33 Cu2 N5 O14 -","- C29 H33 Cu2 N5 O14 -","- C58 H66 Cu4 N10 O28 -","2","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María-Isabel","CuII‒PDC-bpe frameworks (PDC = 2,5-pyridinedicarboxylate, bpe = 1,2-di(4-pyridyl)ethylene): mapping of herringbone-type structures","CrystEngComm","2014","16","37","8726","","10.1039/C4CE00989D","","","1.54184","CuKα","","0.0317","0.0296","","","0.0767","0.0782","","","","","","1.041","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217758","10.5047","0.0002","18.6297","0.0003","10.7312","0.0002","90","","109.882","0.002","90","","1974.91","0.07","295","2","295","2","","","","","","","","5","P 1 n 1","P -2yac","7","","pyridoxal-isonicotinoyl-hydrazone (μU~eq~6-oxo) -dodecakis(μU~eq~2-oxo)-hexa(oxomolybdenum) acetone solvate (1/3)","","- C23 H34 Mo6 N4 O25 -","- C23 H34 Mo6 N4 O25 -","- C46 H68 Mo12 N8 O50 -","2","1","","Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja","Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions","RSC Advances","2014","","","","","10.1039/C4RA08179J","","","0.71073","MoKα","","0.0262","0.0236","","","0.058","0.0586","","","","","","1.076","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7218536","7.9296","0.001","9.0949","0.0012","22.638","0.003","90","","99.403","0.007","90","","1610.7","0.4","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H44 Br4 Cu2 N6 O -","- C26 H44 Br4 Cu2 N6 O -","- C52 H88 Br8 Cu4 N12 O2 -","2","1","","Rhaman, Md Mhahabubur; Alamgir, Azmain; Wong, Bryan; Powell, Douglas; Hossain, Md. Alamgir","A highly efficient dinuclear Cu(II) chemosensor for colorimetric and fluorescent detection of cyanide in water","RSC Adv.","2014","","","","","10.1039/C4RA10813B","","","0.71073","MoKα","","0.0698","0.0491","","","0.0777","0.0842","","","","","","0.931","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218667","4.114","0.0008","9.071","0.0009","24.104","0.005","90","","91.621","0.019","90","","899.2","0.3","250","2","250","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,3,5-Trifluoro-2,4,6-tri-iodobenzene 4,4'-bipyridine","","- C16 H8 F3 I3 N2 -","- C16 H8 F3 I3 N2 -","- C32 H16 F6 I6 N4 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0725","0.0566","","","0.1403","0.1488","","","","","","1.07","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7219686","6.975","0.0012","3.876","0.001","23.998","0.003","90","","91.227","0.012","90","","648.6","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","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","","0.0839","0.0724","","","0.2049","0.2172","","","","","","1.14","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219777","6.7846","0.0004","10.9535","0.0006","10.6835","0.0006","90","","91.81","0.002","90","","793.55","0.08","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H16 Cu O14 -","- C10 H16 Cu O14 -","- C20 H32 Cu2 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0199","0.0191","","","0.0484","0.0488","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219787","4.5622","0.0006","9.994","0.0012","11.5383","0.0012","90","","90.826","0.006","90","","526.03","0.11","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0274","0.0268","","","0.0717","0.0722","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7220561","4.8695","0.0004","5.7118","0.0003","5.4416","0.0004","90","","117.468","0.006","90","","134.289","0.018","298","","298","","4.275","0.015","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.409","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220562","5.0092","0.0006","5.9924","0.0006","5.4976","0.0005","90","","115.298","0.01","90","","149.2","0.03","298","","298","","0.547","0.016","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.106","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220708","6.4502","0.0005","10.8097","0.0008","22.0781","0.0017","90","","95.457","0.004","90","","1532.4","0.2","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H13 Br N2 -","- C20 H13 Br N2 -","- C80 H52 Br4 N8 -","4","2","","Yao, Ching-Fa; R. R, Rajawinslin.; Ichake, Sachin S.; Kavala, Veerababurao; Gawande, Sachin D.; Huang, Yi-Hsiang; Kuo, Chun-Wei","Iron/acetic acid mediated synthesis of 6,7-dihydrodibenzo [b,j] [1,7] phenanthroline derivatives via intramolecular reductive cylization","RSC Adv.","2015","","","","","10.1039/C5RA06395G","","","0.71073","MoKα","","0.0901","0.0747","","","0.1724","0.1856","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220841","7.969","0.005","5.535","0.005","14.965","0.005","90","","103.239","0.005","90","","642.5","0.7","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","(Z)-((4-(N,N-dimethyl)phenyl)(2-methoxycarbonylvinyl)telluride","(Z)-Methyl 2-(4'-(N,N-dimethyl)phenyltelluro)acrylate","","- C12 H15 N O2 Te -","- C12 H15 N O2 Te -","- C24 H30 N2 O4 Te2 -","2","1","","Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay","Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates","RSC Adv.","2015","","","","","10.1039/C5RA07854G","","","0.71073","MoKα","","0.0397","0.0317","","","0.0557","0.0607","","","","","","0.992","","","","has coordinates","139540","2020-10-21","18:00:00",""
"7220884","12.476","0.004","12.003","0.004","17.582","0.005","90","","94.066","0.004","90","","2626.3","1.4","298","2","298.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C16 H20 Ag4 N12 O40 Si W12 -","- C16 H20 Ag4 N12 O40 Si W12 -","- C32 H40 Ag8 N24 O80 Si2 W24 -","2","1","","Hu, Tuo-Ping; Zhao, Ya-Qin; Mei, Kai; Lin, Shu-Jie; Wang, Xing-Po; Sun, Di","A novel silver(i)-Keggin-polyoxometalate inorganic‒organic hybrid: a Lewis acid catalyst for cyanosilylation reaction","CrystEngComm","2015","17","31","5947","","10.1039/C5CE00953G","","","0.71073","MoKα","","0.0579","0.0561","","","0.1464","0.1487","","","","","","0.959","","","","has coordinates","153112","2020-10-21","18:00:00",""
"7222638","9.378","","7.488","","6.513","","90","","91.15","","90","","457.267","","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","Sn2 (P2 S6)","","- P2 S6 Sn2 -","- P2 S6 Sn2 -","- P4 S12 Sn4 -","2","1","","Dittmar, G.; Schaefer, H.","Die Struktur des Di-Zinn-Hexathiohypodiphosphats Sn2 P2 S6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1974","29","","312","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223288","5.535","0.007","5.035","0.006","19.29","0.02","90","","92.048","0.016","90","","537.2","1.1","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N-(2,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0954","0.0808","","","0.231","0.2561","","","","","","1.098","","","","has coordinates,has disorder","175974","2020-10-21","18:00:00",""
"7223483","11.6765","0.0004","10.3852","0.0002","15.0913","0.0004","90","","107.074","0.003","90","","1749.36","0.09","296","1","296","1","","","","","","","","6","P 1 n 1","P -2yac","7","","UZAR-S12","","- C24 H31 N15 O6 S3 Zn2 -","- C24 H31 N15 O6 S3 Zn2 -","- C48 H62 N30 O12 S6 Zn4 -","2","1","","Perea-Cachero, Adelaida; Seoane, Beatriz; Diosdado, Beatriz; Tellez, Carlos; Coronas, Joaquin","Synthesis, structure and characterization of a layered coordination polymer based on Zn(II) and 6-(methylmercapto)purine","RSC Adv.","2015","","","","","10.1039/C5RA23134E","","","0.71073","MoKα","","0.0727","0.0519","","","0.0956","0.1035","","","","","","1.042","","","","has coordinates","171544","2020-10-21","18:00:00",""
"7223484","11.6757","0.0008","10.3908","0.0004","15.1045","0.0007","90","","107.129","0.006","90","","1751.19","0.17","296","1","296","1","","","","","","","","6","P 1 n 1","P -2yac","7","","Desolvated UZAR-S12","","- C21 H24 N14 O5 S3 Zn2 -","- C21 H22 N14 O5 S3 Zn2 -","- C42 H44 N28 O10 S6 Zn4 -","2","1","","Perea-Cachero, Adelaida; Seoane, Beatriz; Diosdado, Beatriz; Tellez, Carlos; Coronas, Joaquin","Synthesis, structure and characterization of a layered coordination polymer based on Zn(II) and 6-(methylmercapto)purine","RSC Adv.","2015","","","","","10.1039/C5RA23134E","","","0.71073","MoKα","","0.1311","0.0704","","","0.1284","0.1546","","","","","","1.007","","","","has coordinates","171544","2020-10-21","18:00:00",""
"7224183","8.3627","0.0006","6.9269","0.0005","12.705","0.0009","90","","103.49","0.002","90","","715.67","0.09","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H8 Br2 N2 O2 Ru -","- C12 H8 Br2 N2 O2 Ru -","- C24 H16 Br4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0272","0.0235","","","0.0552","0.0564","","","","","","1.011","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224503","10.467","0.003","13.587","0.004","11.9","0.004","90","","112.036","0.007","90","","1568.7","0.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","[ZnCl(N3)(tzmb)]2??H2O","","","- C24 H22 Cl2 N18 O Zn2 -","- C24 H20 Cl2 N18 O Zn2 -","- C48 H40 Cl4 N36 O2 Zn4 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0621","0.0522","","","0.128","0.1344","","","","","","1.063","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224548","14.6252","0.0007","16.5703","0.0007","10.4179","0.0005","90","","90","","90","","2524.7","0.2","273","2","273.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C72 H48 N24 O16 Zn4 -","4","2","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","0.71073","MoKα","","0.0737","0.0691","","","0.2073","0.2112","","","","","","1.117","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7225597","5.5268","0.0003","4.9905","0.0002","19.7058","0.0011","90","","90.665","0.005","90","","543.48","0.05","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(F2_24 or 11-051)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1116","0.0347","","","0.0428","0.0514","","","","","","0.767","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225606","5.1095","0.0001","9.4583","0.0004","22.2306","0.0008","90","","96.284","0.003","90","","1067.89","0.06","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(35_F2 or 10-021)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0771","0.0359","","","0.0813","0.0925","","","","","","0.857","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7226204","11.797","0.002","3.548","0.0007","13.404","0.003","90","","106.25","0.03","90","","538.6","0.2","153.15","","153.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C3 H10 N9 Na O5 -","- C3 H10 N9 Na O5 -","- C6 H20 N18 Na2 O10 -","2","1","","Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao","Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime","RSC Adv.","2016","","","","","10.1039/C6RA15591J","","","0.71073","MoKα","","0.0367","0.0334","","","0.0999","0.1223","","","","","","1.23","","","","has coordinates","185733","2020-10-21","18:00:00",""
"7226213","11.285","0.002","14.466","0.003","13.528","0.003","90","","112.2","0.03","90","","2044.7","0.8","173.15","","173.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","2","","Guo, Hongchao; Zhou, Leijie; Sun, Zhanhu; Yuan, Chunhao","Phosphine-Catalyzed [3+2] Cycloaddition of Phthalazinium Dicyanomethanides with Allenoates: Highly Efficient Synthesis of 1,2,3,10b-Tetrahydropyrrolo[2,1-a]phthalazine Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA13643E","","","0.71073","MoKα","","0.0477","0.0456","","","0.1012","0.1027","","","","","","1.037","","","","has coordinates","185748","2020-10-21","18:00:00",""
"7226526","12.9435","0.0011","4.5716","0.0003","20.997","0.002","90","","101.605","0.009","90","","1217.05","0.18","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","[BQL][Ag4I5]","compound 3","","- C16 H14 Ag4 I5 N -","- C16 H14 Ag4 I5 N -","- C32 H28 Ag8 I10 N2 -","2","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Dai, Dongting; fu, yunlong","Spontaneous Chiral Resolution and Hierarchical Directing Effects of Two-winged Propeller-like SDAs on the Construction of Noncentrosymmetric Iodoargentates/Iodocuprates","RSC Adv.","2016","","","","","10.1039/C6RA15159K","","","0.71073","MoKα","","0.0493","0.0441","","","0.1029","0.1078","","","","","","1.03","","","","has coordinates","186508","2020-10-21","18:00:00",""
"7226710","8.0343","0.0003","9.231","0.0004","11.9465","0.0005","90","","90.966","0.003","90","","885.88","0.06","270","2","270","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Al N2 Na O12 -","- C10 H22 Al N2 Na O12 -","- C20 H44 Al2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","x-ray","0.71073","MoKα","","0.0661","0.05","","","0.0932","0.1047","","","","","","1.039","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226711","8.10474","0.00009","9.26392","0.00011","12.04593","0.00014","90","","91.1766","0.001","90","","904.238","0.018","297","2","297","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","","0.71073","MoKα","","0.0295","0.0247","","","0.0576","0.06","","","","","","1.178","","","","has coordinates","188320","2020-10-21","18:00:00",""
"7227966","15.8325","0.0019","22.884","0.003","36.596","0.005","90","","97.523","0.002","90","","13145","3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C278 H276 Cd9 N25 O62 -","- C278 H275 Cd9 N25 O62 -","- C556 H550 Cd18 N50 O124 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0564","0.0519","","","0.1315","0.1363","","","","","","1.107","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7228303","7.3025","0.0018","13.588","0.003","9.39","0.002","90","","100.099","0.003","90","","917.3","0.4","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H26 Fe N3 -","- C20 H26 Fe N3 -","- C40 H52 Fe2 N6 -","2","1","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.0192","0.019","","","0.0496","0.0497","","","","","","1.073","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228324","17.9772","0.0018","9.026","0.001","27.903","0.003","90","","103.161","0.008","90","","4408.7","0.8","120","2","120","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C62 H120 Cd2 N6 O14 S4 Si4 -","- C62 H120 Cd2 N6 O14 S4 Si4 -","- C124 H240 Cd4 N12 O28 S8 Si8 -","2","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0375","0.0338","","","0.0783","0.0799","","","","","","1.048","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7229322","8.827","0.0003","10.6251","0.0004","16.8178","0.0007","90","","94.973","0.002","90","","1571.37","0.1","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H12 F4 N4 S6 -","- C36 H12 F4 N4 S6 -","- C72 H24 F8 N8 S12 -","2","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0899","0.0795","","","0.1869","0.1959","","","","","","1.079","","","","has coordinates,has disorder","202010","2020-10-21","18:00:00",""
"7229387","13.311","0.003","9.802","0.002","19.394","0.004","90","","102.96","0.03","90","","2466","1","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54 H45 Ag3 N6 O9 -","- C54 H45 Ag3 N6 O9 -","- C108 H90 Ag6 N12 O18 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.1359","0.0962","","","0.217","0.2412","","","","","","1.115","","","","has coordinates","202289","2020-10-21","18:00:00",""
"7229388","13.251","0.003","9.797","0.002","20.209","0.004","90","","107.23","0.03","90","","2505.8","1","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54 H45 Ag3 N6 O9 -","- C54 H45 Ag3 N6 O9 -","- C108 H90 Ag6 N12 O18 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.1081","0.0818","","","0.2074","0.2239","","","","","","1.108","","","","has coordinates","202289","2020-10-21","18:00:00",""
"7229711","18.0621","0.0012","21.7543","0.0011","18.1682","0.0013","90","","108.862","0.003","90","","6755.4","0.8","150","","150","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C37.25 H29.5 Cl0.5 F6 N3 S Sb -","- C37.25 H29.5 Cl0.5 F6 N3 S Sb -","- C298 H236 Cl4 F48 N24 S8 Sb8 -","8","4","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.062","","","","0.1491","","","","","","1.218","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7231317","8.7748","0.0006","8.9163","0.0007","13.3043","0.001","90","","98.065","0.003","90","","1030.62","0.13","100","2","99.98","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C13 H29 Br I3 N -","- C13 H29 Br I3 N -","- C26 H58 Br2 I6 N2 -","2","1","","Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.","Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.","Physical chemistry chemical physics : PCCP","2018","20","34","21999","22007","10.1039/c8cp03505a","","","0.71073","MoKα","","0.0529","0.0523","","","0.1327","0.1336","","","","","","1.062","","","","has coordinates","230943","2020-10-21","18:00:00",""
"7231318","8.7174","0.0005","8.8068","0.0005","13.2169","0.0007","90","","97.763","0.003","90","","1005.39","0.1","100","2","99.86","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C13 H29 Cl I3 N -","- C13 H29 Cl I3 N -","- C26 H58 Cl2 I6 N2 -","2","1","","Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.","Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.","Physical chemistry chemical physics : PCCP","2018","20","34","21999","22007","10.1039/c8cp03505a","","","0.71073","MoKα","","0.0315","0.0291","","","0.0604","0.0614","","","","","","1.076","","","","has coordinates","230943","2020-10-21","18:00:00",""
"7231748","8.9688","0.0002","13.3571","0.0003","13.4352","0.0003","90","","102.071","0.002","90","","1573.91","0.06","296.61","0.1","296.61","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H26 Cd N6 O9 -","- C36 H26 Cd N6 O9 -","- C72 H52 Cd2 N12 O18 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","1.54184","CuKα","","0.0295","0.0257","","","0.0644","0.0677","","","","","","1.06","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231864","14.03","0.003","11.502","0.002","17.598","0.004","90","","102.18","0.03","90","","2775.9","1","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Al13 H53 O67 S3 -","- Al13 H25 O68 S3 -","- Al26 H50 O136 S6 -","2","1","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1585","0.127","","","0.2529","0.2845","","","","","","1.14","","","","has coordinates","223589","2020-10-21","18:00:00",""
"7231990","13.1391","0.0007","13.3582","0.0006","19.7524","0.001","90","","106.272","0.002","90","","3328","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt tetra(μ1-N,N-dimethylformamide)tetra(N,N-dimethylformamide) solvate","","- C63 H73 Co3 N7 O19 -","- C63 H73 Co3 N7 O19 -","- C126 H146 Co6 N14 O38 -","2","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0342","0.0268","","","0.0601","0.0635","","","","","","1.025","","","","has coordinates","223544","2020-10-21","18:00:00",""
"7232171","14.6598","0.0004","13.3538","0.0004","22.0021","0.0006","90","","103.869","0.003","90","","4181.6","0.2","293","2","293","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C20 H36 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C40 H72 Mn5 Mo24 N16 Na4 O143 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0564","0.0455","","","0.0912","0.0974","","","","","","1.231","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232195","6.4341","0.0011","4.6151","0.0003","10.5313","0.0007","90","","100.73","0.01","90","","307.25","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0419","0.0339","","","0.0742","0.0769","","","","","","1.174","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232196","6.4003","0.0011","4.5981","0.0004","10.4452","0.0015","90","","100.748","0.014","90","","302","0.07","295.01","","295.01","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0334","0.0276","","","0.0628","0.0644","","","","","","1.039","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232197","6.4342","0.001","4.6146","0.0004","10.5397","0.001","90","","100.667","0.009","90","","307.53","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0559","0.041","","","0.0915","0.1066","","","","","","1.108","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232198","6.4551","0.0005","4.674","0.0004","10.547","0.0009","90","","100.754","0.003","90","","312.63","0.04","100","2","99.82","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","","1.54178","CuKα","","0.0297","0.0287","","","0.0727","0.073","","","","","","1.106","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232199","6.5086","0.0005","4.6661","0.0004","10.7596","0.0008","90","","100.685","0.001","90","","321.1","0.04","295","","295.03","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0458","0.0408","","","0.1107","0.1154","","","","","","1.046","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232864","11.7121","0.0004","6.152","0.0002","16.1276","0.0004","90","","91.235","0.003","90","","1161.77","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H18 N6 Ni O5 -","- C26 H18 N6 Ni O5 -","- C52 H36 N12 Ni2 O10 -","2","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","x-ray","0.71073","MoKα","","0.0408","0.0361","","","0.0651","0.0687","","","","","","1.028","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7233823","13.045","0.0005","8.447","0.0004","13.703","0.0005","90","","91.593","0.0012","90","","1509.37","0.11","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","2","","Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten","Interacting networks of purely organic spin-1/2 dimers","Journal of Materials Chemistry C","2014","2","","6618","6629","10.1039/C4TC00399C","","","0.71073","MoKα","","0.2194","0.0941","","0.2797","0.0942","0.0942","","","","","","5.6334","","","","has coordinates","218253","2020-10-21","18:00:00",""
"7233832","5.8953","0.0007","7.5358","0.0009","35.049","0.004","90","","90.563","0.007","90","","1557","0.3","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C22 H14 S2 -","- C22 H14 S2 -","- C88 H56 S8 -","4","2","","Jangdae Youn; Peng-Yi Huang; Shiming Zhang; Chiao-Wei Liu; Sureshraju Vegiraju; Kumaresan Prabakaran; Charlotte Stern; Choongik Kim; Ming-Chou Chen; Antonio Facchetti; Tobin J. Marks","Functionalized benzothieno[3,2 b]thiophenes (BTTs) for high performance organic thin-film transistors (OTFTs)","Journal of Materials Chemistry C","2014","2","","7599","7607","10.1039/C4TC01115E","","","1.54178","CuKα","","0.067","0.0493","","","0.1166","0.1341","","","","","","1.026","","","","has coordinates","218262","2020-10-21","18:00:00",""
"7234139","11.1157","0.0003","16.9988","0.0004","11.1207","0.0003","90","","90.112","0.001","90","","2101.29","0.09","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H22 Br N -","- C28 H22 Br N -","- C112 H88 Br4 N4 -","4","2","","Pachaiyappan Rajamalli; Parthasarathy Gandeepan; Min-Jie Huang; Chien-Hong Cheng","Bromo induced reversible distinct color switching of a structurally simple donor-acceptor molecule by vapo, piezo and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3329","3335","10.1039/C5TC00109A","","","0.71073","MoKα","","0.0511","0.0414","","","0.1233","0.1546","","","","","","1.084","","","","has coordinates","218820","2020-10-21","18:00:00",""
"7235117","8.547","0.0016","7.1652","0.0013","10.8277","0.0018","90","","90.898","0.011","90","","663","0.2","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Cs O15 P5 Pb2 -","- Cs O15 P5 Pb2 -","- Cs2 O30 P10 Pb4 -","2","1","","Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan","KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge","Journal of Materials Chemistry C","2016","4","","10630","10637","10.1039/C6TC03424A","","","0.71073","MoKα","","0.0552","0.0511","","","0.1382","0.1424","","","","","","1.077","","","","has coordinates","227872","2020-10-21","18:00:00",""
"7235118","8.5207","0.0008","7.1635","0.0007","10.6027","0.001","90","","90.882","0.006","90","","647.09","0.11","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- K O15 P5 Pb2 -","- K O15 P5 Pb2 -","- K2 O30 P10 Pb4 -","2","1","","Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan","KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge","Journal of Materials Chemistry C","2016","4","","10630","10637","10.1039/C6TC03424A","","","0.71073","MoKα","","0.0314","0.0282","","","0.0579","0.0597","","","","","","1.02","","","","has coordinates","227872","2020-10-21","18:00:00",""
"7235119","8.5503","0.0008","7.1666","0.0006","10.7861","0.001","90","","91.03","0.006","90","","660.83","0.1","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- O15 P5 Pb2 Rb -","- O15 P5 Pb2 Rb -","- O30 P10 Pb4 Rb2 -","2","1","","Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan","KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge","Journal of Materials Chemistry C","2016","4","","10630","10637","10.1039/C6TC03424A","","","0.71073","MoKα","","0.0288","0.0273","","","0.055","0.0558","","","","","","1.043","","","","has coordinates","227872","2020-10-21","18:00:00",""
"7235247","11.241","0.003","5.7323","0.0017","17.696","0.005","90","","97.712","0.005","90","","1130","0.6","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","2","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.047","0.0397","","","0.0945","0.0981","","","","","","1.059","","","","has coordinates","257588","2020-10-21","18:00:00",""
"7235509","4.475","0.0001","13.8149","0.0002","8.7194","0.0002","90","","94.575","0.002","90","","537.33","0.019","175","","175","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H13 N2 O5 P -","- C8 H13 N2 O5 P -","- C16 H26 N4 O10 P2 -","2","1","","Midrier, Camille; Montel, Sonia; Braun, Ralf; Haaf, Klaus; Willms, Lothar; van der Lee, Arie; Volle, Jean-Noël; Pirat, Jean-Luc; Virieux, David","Fosmidomycin analogues with N-hydroxyimidazole and N-hydroxyimidazolone as a chelating unit","RSC Adv.","2014","4","45","23770","","10.1039/C4RA00757C","","","0.71073","MoKα","","0.0262","0.0238","","0.0379","0.0361","0.0379","","","","","","1.0405","","","","has coordinates","233092","2020-10-21","18:00:00",""
"7235895","8.5336","0.0003","9.2212","0.0004","16.6852","0.0006","90","","102.58","0.002","90","","1281.44","0.09","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C32 H27 F N2 O2 -","- C32 H27 F N2 O2 -","- C64 H54 F2 N4 O4 -","2","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0616","0.0413","","","0.0818","0.0912","","","","","","1.018","","","","has coordinates","233742","2020-10-21","18:00:00",""
"7236997","11.6942","0.0004","7.069","0.0002","13.1573","0.0005","90","","101.21","0.001","90","","1066.91","0.06","290","1","290","1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C50 H46 N2 O10 S2 -","2","1","","Choi, Jae-Young; Lee, Seung-Jun; Lee, Seung-Chul; Jeong, Chan-Uk; Jazbinsek, Mojca; Yun, Hoseop; Kang, Bong Joo; Rotermund, Fabian; Kwon, O-Pil","Quinolinium single crystals with a high optical nonlinearity and unusual out-of-plane polar axis","Journal of Materials Chemistry C","2017","5","47","12602","","10.1039/C7TC04835A","","","0.7107","MoKα","","0.0376","0.0322","","","0.0836","0.0894","","","","","","1.087","","","","has coordinates","236700","2020-10-21","18:00:00",""
"7237261","12.5704","0.0007","6.5629","0.0004","13.3028","0.0007","90","","90.303","0.002","90","","1097.44","0.11","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 Ag5 N21 O11 -","- C4 Ag5 N21 O11 -","- C8 Ag10 N42 O22 -","2","1","","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","","0.0435","0.0333","","","0.0616","0.0645","","","","","","1.056","","","","has coordinates,has disorder","237535","2020-10-21","18:00:00",""
"7237837","8.1137","0.0003","9.2703","0.0004","12.045","0.005","90","","91.173","0.009","90","","905.8","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41122","synchrotron","","0.0651","0.0472","","","0.1101","0.1365","","","","","","1.097","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237838","8.0675","0.0004","9.0842","0.0006","11.893","0.006","90","","91.055","0.013","90","","871.5","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0632","0.045","","","0.0994","0.1226","","","","","","1.122","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237839","8.0271","0.0004","8.8885","0.0005","11.722","0.006","90","","90.906","0.012","90","","836.2","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0606","0.043","","","0.0888","0.1113","","","","","","1.128","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237841","8.06","0.0006","9.0392","0.0007","11.852","0.009","90","","91.018","0.017","90","","863.4","0.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0631","0.0454","","","0.0915","0.1153","","","","","","1.136","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237842","8.01346","0.00013","8.80029","0.00017","11.657","0.002","90","","90.821","0.004","90","","821.98","0.14","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0616","0.0428","","","0.0883","0.1113","","","","","","1.125","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237843","8.00341","0.00015","8.7348","0.00018","11.602","0.002","90","","90.718","0.004","90","","811.01","0.14","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0665","0.0463","","","0.0969","0.1231","","","","","","1.097","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237845","8.082","0.0004","9.1463","0.0005","11.948","0.006","90","","91.101","0.011","90","","883","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0611","0.0439","","","0.0885","0.1118","","","","","","1.099","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237846","7.9904","0.0002","8.6379","0.0002","11.532","0.003","90","","90.525","0.006","90","","795.9","0.2","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0842","0.0573","","","0.1368","0.1693","","","","","","1.081","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237847","8.0417","0.0003","8.9635","0.0004","11.792","0.005","90","","90.974","0.009","90","","849.9","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0591","0.0411","","","0.079","0.1011","","","","","","1.114","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237908","8.5703","0.0004","10.9382","0.0006","17.7953","0.001","90","","90.805","0.005","90","","1668.03","0.15","239.94","0.19","239.94","0.19","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H20 Cl5 N2 Sb -","- C5.33333 H13.3333 Cl3.33333 N1.33333 Sb0.666667 -","- C32 H80 Cl20 N8 Sb4 -","6","3","","Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard","Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)","Journal of Materials Chemistry C","2019","7","33","10360","","10.1039/C9TC02849H","","x-ray","0.71073","MoKα","","0.0726","0.0661","","","0.1735","0.1789","","","","","","1.016","","","","has coordinates","238738","2020-10-21","18:00:00",""
"7239696","13.3372","0.0006","6.7727","0.0003","21.8857","0.001","90","","101.262","0.002","90","","1938.84","0.15","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H28 N2 O5 S -","- C18 H28 N2 O5 S -","- C72 H112 N8 O20 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0659","0.0476","","","0.1037","0.1121","","","","","","0.986","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239758","6.8147","0.0006","14.324","0.0011","10.2906","0.0008","90","","103.859","0.003","90","","975.26","0.14","173","2","173","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H14 N20 O5 -","- C9 H14 N20 O5 -","- C18 H28 N40 O10 -","2","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.1157","0.0695","","","0.1495","0.1771","","","","","","1.023","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7240059","9.531","0.0019","8.303","0.0017","9.885","0.002","90","","111.82","0.03","90","","726.2","0.3","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.05","0.0392","","","0.081","0.0862","","","","","","0.992","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240360","7.4213","0.001","4.2957","0.0005","19.13","0.003","90","","92.66","0.004","90","","609.2","0.14","273","2","273","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","","Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha","4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells","RSC Advances","2020","10","26","15501","15513","10.1039/D0RA00754D","","","0.71073","MoKα","","0.0909","0.0616","","","0.1704","0.2011","","","","","","1.092","","","","has coordinates","258034","2020-10-21","18:00:00",""
"7240762","6.3007","0.0003","20.7627","0.0011","29.9858","0.0014","90","","95.787","0.002","90","","3902.7","0.3","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","","'4,4-isopropylidene bisphenol-2,3-xylenol-3,5-xylenol'","","- C92 H104 O12 -","- C92 H104 O12 -","- C184 H208 O24 -","2","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.044","0.0412","","","0.1009","0.1025","","","","","","1.048","","","","has coordinates","253345","2020-10-21","18:00:00",""
"7241698","10.598","0.005","13.049","0.005","14.218","0.005","90","0.005","93.964","0.005","90","0.005","1961.6","1.4","150","0.1","150","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","tipyzdime","Pz2Ti2","","- C31 H64 N4 O7 Ti2 -","- C31 H64 N4 O7 Ti2 -","- C62 H128 N8 O14 Ti4 -","2","1","","Wang, Tzu-Fang; Kosuru, Someswara Rao; Yu, Shu-Chun; Chang, Yung-Chi; Lai, Hsin-Yu; Chang, Yu-Lun; Wu, Kuo-Hui; Ding, Shangwu; Chen, Hsuan-Ying","Use of pyrazoles as ligands greatly enhances the catalytic activity of titanium iso-propoxide for the ring-opening polymerization of l-lactide: a cooperation effect","RSC Advances","2020","10","67","40690","40696","10.1039/D0RA07824G","","","0.71073","MoKα","","0.0634","0.0481","","","0.1014","0.1093","","","","","","1.032","","","","has coordinates,has disorder","259598","2020-12-06","08:47:40",""
"7242503","4.0051","0.0003","10.1298","0.0008","16.3327","0.0012","90","","92.222","0.003","90","","662.13","0.09","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H13 F O4 -","- C17 H13 F O4 -","- C34 H26 F2 O8 -","2","1","","Chang, Meng-Yang; Tsai, Min-Chen; Lin, Chun-Yi","A novel one-pot synthesis of flavones","RSC Advances","2021","11","19","11655","11662","10.1039/D1RA00534K","","","0.71073","MoKα","","0.0307","0.0288","","","0.0799","0.0827","","","","","","1.118","","","","has coordinates","263236","2021-03-23","05:39:37",""
"7242570","14.296","0.006","15.241","0.006","16.158","0.007","90","","99.738","0.014","90","","3470","3","273.15","","273.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C36 H25 Cu N12 O42 W12 Zn -","- C36 H32 Cu N12 O42 W12 Zn -","- C72 H64 Cu2 N24 O84 W24 Zn2 -","2","1","","Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei","Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators","CrystEngComm","2021","23","30","5184","5189","10.1039/D1CE00332A","","","0.71073","MoKα","","0.041","0.0366","","","0.0815","0.0844","","","","","","1.038","","","","has coordinates","268666","2021-09-06","10:27:56",""
"7242747","21.61054","0.00014","13.8187","0.00007","28.98487","0.00019","90","","110.27","0.0007","90","","8119.7","0.09","100","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C51 H49 N3 O2 -","- C51 H49 N3 O2 -","- C408 H392 N24 O16 -","8","4","","Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D.","Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers.","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP01125A","","","1.54178","CuKα","","0.1892","0.1861","","","0.4471","0.4545","","","","","","2.096","","","","has coordinates,has disorder","264850","2021-05-05","03:44:47",""
"7245222","15.2375","0.001","8.1987","0.0003","16.1855","0.0012","90","","104.826","0.007","90","","1954.7","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C21 H12 F4 I2 -","- C21 H12 F4 I2 -","- C84 H48 F16 I8 -","4","2","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0674","0.0469","","","0.0914","0.0999","","","","","","1.077","","","","has coordinates","276986","2022-07-28","22:35:00",""
"7245327","6.3867","0.0008","12.7855","0.0016","6.3889","0.0008","90","","90.165","0.001","90","","521.7","0.11","297","","297","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- Ba H8 O14 P2 V2 -","- Ba H8 O14 P2 V2 -","- Ba2 H16 O28 P4 V4 -","2","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","","0.71073","MoKα","","0.0305","0.0248","","","0.0524","0.0551","","","","","","1.046","","","","has coordinates","277263","2022-08-16","22:29:34",""
"7246712","9.931","0.0007","10.0681","0.0006","12.1027","0.0008","90","","99.78","0.004","90","","1192.52","0.14","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C48 H56 N4 O14 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0472","0.0404","","","0.1043","0.1108","","","","","","1.04","","","","has coordinates","284271","2023-06-05","04:27:57",""
"7246933","9.5646","0.0011","3.7993","0.0005","13.5636","0.0017","90","","106.084","0.013","90","","473.59","0.11","113.15","","113.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1842","","","","","","1.049","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246999","4.882","0.0005","10.0306","0.001","8.9963","0.0009","90","","95.203","0.004","90","","438.73","0.08","170","","170","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C3 H5 N7 O7 -","- C3 H5 N7 O7 -","- C6 H10 N14 O14 -","2","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.0607","0.0397","","","0.0794","0.0925","","","","","","1.101","","","","has coordinates","285532","2023-08-05","09:36:36",""
"7700380","9.2334","0.0002","11.2034","0.0003","27.9409","0.0007","90","","95.9508","0.0013","90","","2874.78","0.12","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C52 H86 N4 O17 Zn2 -","- C52 H86 N4 O17 Zn2 -","- C104 H172 N8 O34 Zn4 -","2","1","","Rosales-Vázquez, Luis D; Valdes-García, Josue; Bazany-Rodríguez, Iván J; Germán-Acacio, Juan M; Martínez-Otero, Diego; Vilchis-Néstor, Alfredo R; Morales-Luckie, Raúl; Sánchez-Mendieta, Víctor; Dorazco-González, Alejandro","A sensitive photoluminescent chemosensor for cyanide in water based on a zinc coordination polymer bearing ditert-butyl-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12407","12420","10.1039/c9dt01861a","","","1.54178","CuKα","","0.0307","0.0299","","","0.0766","0.0773","","","","","","1.032","","","","has coordinates,has disorder","223983","2020-10-21","18:00:00",""
"7700530","9.9754","0.0015","30.114","0.003","10.9427","0.0016","90","","95.823","0.012","90","","3270.2","0.8","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","2b in manuscript","","","- C39 H16 B F15 N O P -","- C39 H16 B F15 N O P -","- C156 H64 B4 F60 N4 O4 P4 -","4","2","","Regulska, Elzbieta; Christ, Sonja; Zimmermann, Johannes; Rominger, Frank; Hernandez-Sosa, Gerardo; Romero-Nieto, Carlos","Organophosphorus-B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> adducts: towards new solid-state emitting materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12803","12807","10.1039/c9dt02258a","","","1.54178","CuKα","","0.0401","0.0357","","","0.0906","0.0945","","","","","","1.04","","","","has coordinates,has disorder","224512","2020-10-21","18:00:00",""
"7700923","25.109","0.002","14.9811","0.0013","28.785","0.002","90","","105.488","0.002","90","","10434.6","1.4","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12 H36 La3 N3 O141 P4 W34 -","- C12 H36 La3 N3 O141 P4 W34 -","- C24 H72 La6 N6 O282 P8 W68 -","2","1","","Wu, Hechen; Zhi, Minna; Chen, Chunli; Zhu, Yanhong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, characterization, and photoluminescence properties of three two-dimensional lanthanide-containing Dawson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13850","13857","10.1039/c9dt02710f","","","0.71073","MoKα","","0.0789","0.0565","","","0.1343","0.1489","","","","","","1.017","","","","has coordinates","224482","2020-10-21","18:00:00",""
"7700924","25.252","0.003","15.1277","0.0016","28.898","0.003","90","","105.328","0.0018","90","","10646","2","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12 H36 N3 O143 P4 Pr3 W34 -","- C12 H36 N3 O143 P4 Pr3 W34 -","- C24 H72 N6 O286 P8 Pr6 W68 -","2","1","","Wu, Hechen; Zhi, Minna; Chen, Chunli; Zhu, Yanhong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, characterization, and photoluminescence properties of three two-dimensional lanthanide-containing Dawson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13850","13857","10.1039/c9dt02710f","","","0.71073","MoKα","","0.1026","0.0649","","","0.1419","0.1649","","","","","","1.015","","","","has coordinates,has disorder","224482","2020-10-21","18:00:00",""
"7700925","25.251","0.003","15.1759","0.0017","28.933","0.003","90","","105.394","0.002","90","","10690","2","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12 H36 Ce3 N3 O143 P4 W34 -","- C12 H36 Ce3 N3 O143 P4 W34 -","- C24 H72 Ce6 N6 O286 P8 W68 -","2","1","","Wu, Hechen; Zhi, Minna; Chen, Chunli; Zhu, Yanhong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, characterization, and photoluminescence properties of three two-dimensional lanthanide-containing Dawson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13850","13857","10.1039/c9dt02710f","","","0.71073","MoKα","","0.0963","0.0597","","","0.1357","0.1561","","","","","","1.009","","","","has coordinates","224482","2020-10-21","18:00:00",""
"7700998","14.946","","13.887","","21.17","","90","","92.02","","90","","4391.21","","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C21 H76 Mo2 N14 O82 P2 W16 -","- C21 Mo2.329 N14 O68.3 P2 W15.671 -","- C42 Mo4.658 N28 O136.6 P4 W31.342 -","2","1","","Wang, Yuchao; Li, Fengyan; Jiang, Ning; Liu, Xizheng; Xu, Lin","A ""directed precursor self-assembly"" strategy for the facile synthesis of heteropoly blues: crystal structures, formation mechanism and electron distribution.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14347","14353","10.1039/c9dt02789k","","","0.71073","MoKα","","0.056","0.0505","","","0.1323","0.1361","","","","","","1.031","","","","has coordinates,has disorder","224556","2020-10-21","18:00:00",""
"7701298","13.131","0.003","7.798","0.0016","21.291","0.004","90","","99.58","0.03","90","","2149.7","0.8","20","10","20","10","","","","","","","synthesis as described","7","P 1 n 1","P -2yac","7","","","","- C41 H48 B2 Cl2 F10 N2 Si2 -","- C41 H48 B2 Cl2 F10 N2 Si2 -","- C82 H96 B4 Cl4 F20 N4 Si4 -","2","1","","Fugel, Malte; Ponomarenko, Maksym; Hesse, Maxie F.; Malaspina, Lorraine Andrade; Kleemiss, Florian; Sugimoto, Kunihisa; Genoni, Alessandro; Röschenthaler, Gerd-Volker; Grabowsky, Simon","Complementary bonding analysis of the N ‒ Si interaction in pentacoordinated silicon compounds using quantum crystallography","Dalton Transactions","2019","","","","","10.1039/C9DT02772F","","x-ray","0.4015","synchrotron","","0.0754","0.0602","","","0.1705","0.1818","","","","","","0.994","","","","has coordinates,has disorder","218992","2020-10-21","18:00:00",""
"7701647","9.207","0.002","19.7513","0.0018","14.7468","0.0019","90","","90.01","0.015","90","","2681.7","0.7","120","2","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H42 B N P2 -","- C26 H42 B N P2 -","- C104 H168 B4 N4 P8 -","4","2","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.0411","0.0332","","","0.0794","0.0819","","","","","","1.031","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7702615","7.361","0.003","19.112","0.002","11.851","0.002","90","","95.09","0.02","90","","1660.7","0.8","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","[CoCl~2~(NITmepy)]","Dichloro(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)cobalt( II)","","- C13 H18 Cl2 Co N3 O2 -","- C13 H18 Cl2 Co N3 O2 -","- C52 H72 Cl8 Co4 N12 O8 -","4","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.1343","0.0376","","","0.0863","0.1101","","","","","","0.958","","","","has coordinates","243925","2020-10-21","18:00:00",""
"7702616","7.3499","0.0018","19.4867","0.0015","12.055","0.002","90","","95.491","0.017","90","","1718.7","0.5","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","[CoBr~2~(NITmepy)]","Dibromo(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)cobalt(I I)","","- C13 H18 Br2 Co N3 O2 -","- C13 H18 Br2 Co N3 O2 -","- C52 H72 Br8 Co4 N12 O8 -","4","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.1471","0.0434","","","0.1009","0.1275","","","","","","0.965","","","","has coordinates","243925","2020-10-21","18:00:00",""
"7702618","7.38","0.003","19.103","0.003","11.853","0.002","90","","95.74","0.02","90","","1662.7","0.8","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","[ZnCl~2~(NITmepy)]","Dichloro(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)zinc(II )","","- C13 H18 Cl2 N3 O2 Zn -","- C13 H18 Cl2 N3 O2 Zn -","- C52 H72 Cl8 N12 O8 Zn4 -","4","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.096","0.0338","","","0.0817","0.0987","","","","","","1.001","","","","has coordinates","243925","2020-10-21","18:00:00",""
"7703028","16.5331","0.0002","31.1551","0.0004","36.0837","0.0006","90","","99.828","0.002","90","","18313.6","0.5","93","","93.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C300 H420 Ce4 O24 -","- C300 H420 Ce4 O24 -","- C600 H840 Ce8 O48 -","2","1","","Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.","Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","877","884","10.1039/c9dt03291f","","","0.71075","MoKα","","0.1239","0.1112","","","0.2768","0.2878","","","","","","1.061","","","","has coordinates","247738","2020-10-21","18:00:00",""
"7703282","9.9701","0.0002","15.3519","0.0003","11.421","0.0003","90","","94.9903","0.0008","90","","1741.47","0.07","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C30 H47 Cl N6 O9 P Tb -","- C30 H47 Cl N6 O9 P Tb -","- C60 H94 Cl2 N12 O18 P2 Tb2 -","2","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","The solid-state structures and ligand cavity evaluation of lanthanide(iii) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1555","1569","10.1039/c9dt04056k","","","0.71073","MoKα","","0.0252","0.0228","","","0.0484","0.0495","","","","","","1.017","","","","has coordinates","248941","2020-10-21","18:00:00",""
"7703936","6.888","0.0014","6.775","0.0014","11.928","0.002","90","","90.08","0.03","90","","556.63","0.19","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- O28 Pr3 U6 -","- O28 Pr3 U6 -","- O28 Pr3 U6 -","1","0.5","","Lu, Kimbal Thane; Zhang, Yingjie; Wei, Tao; Čejka, Jiří; Zheng, Rongkun","Layer-structured uranyl-oxide hydroxy-hydrates with Pr(iii) and Tb(iii) ions: hydroxyl to oxo transition driven by interlayer cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5832","5841","10.1039/d0dt00526f","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0468","0.0467","","","0.1073","0.1074","","","","","","1.111","","","","has coordinates","252806","2020-10-21","18:00:00",""
"7703951","12.9924","0.0003","14.0108","0.0003","15.4464","0.0005","90","","100.04","0.003","90","","2768.71","0.13","123.25","0.1","123.25","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C50 H96 Mg N6 Na2 O2 -","- C50 H96 Mg N6 Na2 O2 -","- C100 H192 Mg2 N12 Na4 O4 -","2","1","","Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T","Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5257","5263","10.1039/d0dt00904k","","x-ray","1.54184","CuKα","","0.0773","0.0713","","","0.1806","0.1896","","","","","","1.038","","","","has coordinates,has disorder","251615","2020-10-21","18:00:00",""
"7705273","18.8172","0.0015","22.3972","0.0016","25.035","0.002","90","","92.286","0.004","90","","10542.7","1.4","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","Zn3Co6Se8(Ph2PNiPr)6","","- C90 H102.68 Co6 N6 P6 Se8 Zn2.66 -","- C90 H102.675 Co6 N6 P6 Se8 Zn2.6625 -","- C360 H410.7 Co24 N24 P24 Se32 Zn10.65 -","4","2","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0656","0.0379","","","0.0703","0.0786","","","","","","1.018","","","","has coordinates,has disorder","260793","2021-01-07","06:33:03",""
"7706618","12.3639","0.0014","9.6186","0.0009","13.6552","0.0014","90","","106.009","0.004","90","","1560.9","0.3","150","","150","","","","","","","","synthesis as described","7","P 1 n 1","P -2yac","7","","","","- C27 H38 B4 N Nb2 O S -","- C27 H38 B4 N Nb2 O S -","- C54 H76 B8 N2 Nb4 O2 S2 -","2","1","","Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4036","4044","10.1039/d0dt04362a","","x-ray","0.71073","MoKα","","0.0759","0.0686","","","0.18","0.1876","","","","","","1.087","","","","has coordinates","263774","2021-04-05","14:53:45",""
"7707066","14.4949","0.0007","5.76901","0.00027","12.9059","0.0005","90","","113.432","0.0023","90","","990.2","0.08","298","","298","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C18 Ca O8 P2 -","- C18 Ca O8 P2 -","- C36 Ca2 O16 P4 -","2","1","","Bazaga-García, Montse; Vílchez-Cózar, Álvaro; Maranescu, Bianca; Olivera-Pastor, Pascual; Marganovici, Marko; Ilia, Gheorghe; Cabeza Díaz, Aurelio; Visa, Aurelia; Colodrero, Rosario M. P.","Synthesis and electrochemical properties of metal(ii)-carboxyethylphenylphosphinates.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6539","6548","10.1039/d1dt00104c","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.08885","","3.45","","","","","","","has coordinates","266017","2021-06-05","18:34:58",""
"7707467","4.5553","0.0003","18.3946","0.0009","9.1957","0.0004","90","","94.978","0.002","90","","767.63","0.07","100","2","100.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C19 H12 Cl N3 O Pd -","- C19 H12 Cl N3 O Pd -","- C38 H24 Cl2 N6 O2 Pd2 -","2","1","","Omondi, Reinner O.; Sibuyi, Nicole R. S.; Fadaka, Adewale O.; Meyer, Mervin; Jaganyi, Deogratius; Ojwach, Stephen O.","Role of π-conjugation on the coordination behaviour, substitution kinetics, DNA/BSA interactions, and <i>in vitro</i> cytotoxicity of carboxamide palladium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8127","8143","10.1039/d1dt00412c","","","0.71073","MoKα","","0.0479","0.0474","","","0.1175","0.1184","","","","","","1.083","","","","has coordinates","267201","2021-07-05","17:45:26",""
"7707913","13.0249","0.0006","14.7896","0.0006","14.3462","0.0006","90","","101.315","0.002","90","","2709.8","0.2","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C52 H79 K Mn N2 O6 Si2 -","- C52 H79 K Mn N2 O6 Si2 -","- C104 H158 K2 Mn2 N4 O12 Si4 -","2","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","1.54186","CuKα","","0.0812","0.0484","","","0.1211","0.1371","","","","","","0.945","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7708836","9.9356","0.0004","26.4605","0.0011","15.5658","0.0006","90","","105.042","0.001","90","","3952","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C40 H66 N2 O4 Pd -","- C40 H66 N2 O4 Pd -","- C160 H264 N8 O16 Pd4 -","4","2","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","0.71073","MoKα","","0.0314","0.0293","","","0.0646","0.0656","","","","","","1.058","","","","has coordinates,has disorder","270672","2021-11-16","00:13:34",""
"7708857","10.2278","0.00019","12.3841","0.0002","12.2598","0.0002","90","","94.8064","0.0016","90","","1547.39","0.05","100","0.1","100","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C28 H26 Cl2 F6 Ge O3 P2 S -","- C28 H26 Cl2 F6 Ge O3 P2 S -","- C56 H52 Cl4 F12 Ge2 O6 P4 S2 -","2","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0492","0.0393","","","0.0649","0.0688","","","","","","1.015","","","","has coordinates","270707","2021-11-17","00:15:45",""
"7709473","6.7411","0.0002","7.5818","0.0002","9.987","0.0003","90","","91.2005","0.0012","90","","510.32","0.03","273","2","273","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Ba2 P2 S6 -","- Ba2 P2 S6 -","- Ba4 P4 S12 -","2","1","","Ji, Bingheng; Sarkar, Arka; Wu, Kui; Swindle, Andrew; Wang, Jian","A2P2S6 (A=Ba, Pb): A Good Platform to Study Polymorph Effect and Lone Pairs Effect to Form Acentric Structure","Dalton Transactions","2022","","","","","10.1039/D1DT04317J","","","0.71073","MoKα","","0.0212","0.0162","","","0.0405","0.0906","","","","","","1.411","","","","has coordinates","272940","2022-02-11","23:54:05",""
"7709618","10.91549","0.00004","9.33603","0.00004","13.28373","0.00005","90","","98.2296","0.0003","90","","1339.77","0.009","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C28 H29 I N2 O2 Ru S -","- C28 H29 I N2 O2 Ru S -","- C56 H58 I2 N4 O4 Ru2 S2 -","2","1","","Chen, Feng; Romero-Canelón, Isolda; Habtemariam, Abraha; Song, Ji-Inn; Banerjee, Samya; Clarkson, Guy J.; Song, Lijiang; Prokes, Ivan; Sadler, Peter J.","Effect of cysteine thiols on the catalytic and anticancer activity of Ru(ii) sulfonyl-ethylenediamine complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03856G","","x-ray","1.54184","CuKα","","0.0168","0.0168","","","0.0425","0.0426","","","","","","1.066","","","","has coordinates","273184","2022-02-28","23:49:40",""
"7710984","8.5418","0.0005","7.1633","0.0004","9.5501","0.0005","90","","101.779","0.0016","90","","572.04","0.06","140","2","140","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C5 H6 N6 O10 -","- C5 H6 N6 O10 -","- C10 H12 N12 O20 -","2","1","","Zhilin, Egor; Ananyev, Ivan V.; Pivkina, Alla N.; Fershtat, Leonid","Renaissance of Dinitroazetidine: Novel Hybrid Energetic Boosters and Oxidizers","Dalton Transactions","2022","","","","","10.1039/D2DT02445D","","","0.71073","MoKα","","0.053","0.0352","","","0.0741","0.0799","","","","","","0.986","","","","has coordinates","277264","2022-08-16","22:46:36",""
"7711283","13.9985","0.0005","14.6914","0.0005","20.5549","0.0007","90","","91.382","0.002","90","","4226","0.3","150","","150","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C72 H120 K4 O8 Pb2 Si4 -","- C72 H120 K4 O8 Pb2 Si4 -","- C144 H240 K8 O16 Pb4 Si8 -","2","1","","Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee","Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K","Dalton Transactions","2022","","","","","10.1039/D2DT02615E","","x-ray","1.34139","GaKα","","0.0377","0.0295","","","0.0651","0.067","","","","","","1.03","","","","has coordinates,has disorder","277971","2022-09-18","23:07:02",""
"7711347","9.7279","0.0001","10.3742","0.0001","20.474","0.0002","90","","102.589","0.001","90","","2016.54","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C44 H60 B Fe N O2 P2 -","- C44 H60 B Fe N O2 P2 -","- C88 H120 B2 Fe2 N2 O4 P4 -","2","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0259","0.0254","","","0.0666","0.0669","","","","","","1.033","","","","has coordinates","278200","2022-09-26","22:53:10",""
"7712853","11.9791","0.0003","10.4431","0.0002","19.2928","0.0004","90","","97.4043","0.0008","90","","2393.38","0.09","103","2","103","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C45 H61 Cl5 N4 O3 Ru3 -","- C45 H61 Cl5 N4 O3 Ru3 -","- C90 H122 Cl10 N8 O6 Ru6 -","2","1","","Porwal, Pragti; Nayek, Sreshtha; Singh, Satyam; Sonawane, Avinash; Grabchev, Ivo; Ganguly, Rakesh; Mukhopadhyay, Suman","Studies on anticancer properties with varying co-ligands in Ru(II) arene benzimidazole system","Dalton Transactions","2023","","","","","10.1039/D3DT00528C","","","0.71073","MoKα","","0.0292","0.0247","","","0.0447","0.0458","","","","","","1.031","","","","has coordinates","282812","2023-04-24","22:56:35",""
"7712954","8.7209","0.0002","11.5302","0.0002","15.5452","0.0003","90","","97.78","0.002","90","","1548.74","0.05","113","2","113","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C35 H39 Cu N P S -","- C35 H39 Cu N P S -","- C70 H78 Cu2 N2 P2 S2 -","2","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","x-ray","0.71073","MoKα","","0.0463","0.0449","","","0.1136","0.1147","","","","","","1.085","","","","has coordinates","283539","2023-05-05","22:56:44",""
"7713353","10.6039","0.0005","12.8166","0.0008","18.7166","0.0011","90","","102.083","0.002","90","","2487.3","0.2","193","2","193","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C48 H49 F18 N3 O2 Zn -","- C48 H49 F18 N3 O2 Zn -","- C96 H98 F36 N6 O4 Zn2 -","2","1","","Delgado-Collado, Juan Manuel; Gallardo-Villagrán, Manuel; Alvarez González, Eleuterio; Campora, Juan; Rodríguez Delgado, Antonio","Ligand and Metal-Centred Reactivity in 2,6-bis(imino)-1,4-dihydropyridinate Zn(II) alkyls: the dual behaviour of an intriguing type of complex.","Dalton Transactions","2023","","","","","10.1039/D3DT01492D","","","0.71073","MoKα","","0.0716","0.0549","","","0.1237","0.1321","","","","","","1.042","","","","has coordinates","284761","2023-07-03","22:50:31",""
"7713642","10.4423","0.0002","20.8325","0.0005","18.782","0.0004","90","","93.444","0.002","90","","4078.44","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H54 N3 O8 Sb -","- C42 H54 N3 O8 Sb -","- C168 H216 N12 O32 Sb4 -","4","2","","Wenger, John S.; Getahun, Addis; Johnstone, Timothy C.","Variation in pnictogen-oxygen bonding unlocks greatly enhanced Brønsted basicity for the monomeric stibine oxide.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02113k","","x-ray","0.71073","MoKα","","0.0344","0.031","","","0.0693","0.0709","","","","","","1.079","","","","has coordinates,has disorder","285430","2023-08-02","22:53:50",""
"7714193","10.156","0.0007","12.8167","0.0007","11.2086","0.0006","90","","110.167","0.007","90","","1369.54","0.15","293","2","","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C30 H24 Cl2 N2 O2 Ru2 -","- C30 H24 Cl2 N2 O2 Ru2 -","- C60 H48 Cl4 N4 O4 Ru4 -","2","1","","Arunachalam, Abirami; Umapathy, Devan; Rengan, Ramesh; Arockiam, Antony Joeph Velanganni; Małecki, Jan Grzegorz","Naphthoyl Benzhydrazine - Decorated Binuclear Arene Ru(II) Complexes as Anticancer Agents Targeting Human Breast Cancer Cells","Dalton Transactions","2023","","","","","10.1039/D3DT02552G","","","0.71073","MoKα","","0.0619","0.0379","","","0.0689","0.0839","","","","","","1.1136","","","","has coordinates","286941","2023-10-12","23:04:14",""
"7714358","14.6789","0.0006","13.2778","0.0006","14.8188","0.0006","90","","103.616","0.001","90","","2807.1","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H43 F6 O Rh -","- C29 H43 F6 O Rh -","- C116 H172 F24 O4 Rh4 -","4","2","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.0516","0.0482","","","0.1309","0.1327","","","","","","1.1","","","","has coordinates","287184","2023-11-01","00:01:54",""
"7714827","13.0319","0.0003","19.2008","0.0006","27.1911","0.0007","90","","90.818","0.002","90","","6803.1","0.3","173.15","","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C122 H113 Cl4 N33 O29 Zn4 -","- C122 H86 Cl4 N33 O29 Zn4 -","- C244 H172 Cl8 N66 O58 Zn8 -","2","1","","Yuan, Juan; Lan, Hai-Rong; Xing, Ai-Ping; Zeng, Dai; Hao, Ya-Ting; Song, Jun-Ying; Lu, Jia-Xing; Zhang, Bin; Wang, Jing; Zhang, Zhen-Qiang","Novel tetranuclear grid-like Zn(II) complexes derived from dihydrazone pyrimidine derivatives as antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2193","2206","10.1039/d3dt02833j","","","1.54184","CuKα","","0.1292","0.1019","","","0.2778","0.3126","","","","","","1.154","","","","has coordinates","289481","2024-02-04","11:49:43",""
"7716011","7.4855","0.0004","8.576","0.0004","13.7433","0.0007","90","","104.06","0.001","90","","855.83","0.07","193","2","193","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C17 H12 Cl N4 O3 Re -","- C17 H12 Cl N4 O3 Re -","- C34 H24 Cl2 N8 O6 Re2 -","2","1","","Vanucci-Bacqué, Corinne; Wolff, Mariusz; Delavaux-Nicot, Beatrice; Abdallah, abanoub Mosaad; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Bedos-Belval, Florence; Fong, Kar Wai; Ng, Xiao Ying; Low, May Lee; Benoist, Eric; Fery-Forgues, Suzanne","1,2,3-triazol-5-ylidene- vs 1,2,3-triazole-based tricarbonylrhenium(I) complexes: Influence of a mesoionic carbene ligand on the electronic and biological properties","Dalton Transactions","2024","","","","","10.1039/D4DT00922C","","","0.71073","MoKα","","0.0177","0.0166","","","0.0374","0.0377","","","","","","1.091","","","","has coordinates","291833","2024-05-13","23:05:01",""
"7716093","13.8983","0.001","13.9966","0.001","15.2105","0.001","90","","111.999","0.008","90","","2743.4","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C114 H134 Cl2 Co2 N16 O20 -","- C104 H104 Cl2 Co2 N14 O14 -","- C104 H104 Cl2 Co2 N14 O14 -","1","0.5","","., Rijwan; Arjmand, Farukh; Tabassum, Sartaj","Repurposing Bilastine antihistamine drug as an anti-cancer metallic drug entity: Synthesis and Single crystal X-ray structure of Metal -based Bilastine and phen {Co(II), Cu(II) & Zn(II)} tailored anticancer chemotherapeutic agents against resistant cancer cells.","Dalton Transactions","2024","","","","","10.1039/D4DT00426D","","x-ray","0.71073","MoKα","","0.0864","0.055","","","0.1345","0.1506","","","","","","0.9623","","","","has coordinates,has disorder","291895","2024-05-16","23:03:27",""
"8101866","12.061","0.003","7.704","0.0017","14.734","0.004","90","","90.022","0.006","90","","1369.1","0.6","193","2","193","2","","","","","","","","5","P 1 n 1","P -2yac","7","","meso-5,5,7,12,12,14-hexamethyl-4,11-diaza- 1,8-diazoniacyclotetradecane bis(dicyanoargentate) dihydrate","","- C20 H42 Ag2 N8 O2 -","- C20 H42 Ag2 N8 O2 -","- C40 H84 Ag4 N16 O4 -","2","1","","Ding, J.-G.","Crystal structure of meso-5,5,7,12,12,14-hexamethyl-4,11-diaza-1,8- diazoniacyclotetradecane bis(dicyano-argentate) dihydrate, (C~16~H~38~N~4~) [Ag(CN)~2~]~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","571","572","","","","0.71073","MoKα","","0.0329","0.029","","","0.0662","0.0689","","","","","","1.013","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103108","11.5679","0.0005","8.425","0.0003","11.6371","0.0004","90","","113.39","0.005","90","","1040.95","0.08","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(1,4-bis((1H-imidazol-1-yl)methyl)benzene(5-hydroxyisophthalato) cadmium (II)","","- C22 H20 Cd N4 O6 -","- C22 H20 Cd N4 O6 -","- C44 H40 Cd2 N8 O12 -","2","1","","Dao-Cheng Xia; Ji-Huan Yao; Wen-Chan Zhang; Ren-Qiang Huang; Xu-Qing Yang; Jing-Jing Jing","Crystal structure of aqua[1,4-bis((1H-imidazol-1-yl)methyl)benzene]-(5-hydroxyisophthalato)cadmium(II), Cd(H2O)(C14H14N4)(C8H4O5)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","17","","","","","0.71073","MoKα","","0.0263","0.0221","","","0.0447","0.0451","","","","","","0.938","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8105661","9.6166","0.0005","10.8331","0.0006","11.0982","0.0006","90","","105.997","0.002","90","","1111.41","0.1","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C21 H25 B F4 Fe N6 -","- C21 H25 B F4 Fe N6 -","- C42 H50 B2 F8 Fe2 N12 -","2","1","","Xu, Jianghua; Li, Jian; Ling, Yun; Xu, Bo","Crystal structure of 3-methyl-cyclobis(1-(1,1′-ferrocenylmethyl)-4-butyl-1H-1,2,3-triazole) tetrafluoroborate, C21H25FeN6⋅BF4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","409","410","10.1515/ncrs-2018-0395","","","0.71073","MoKα","","0.0523","0.0388","","","0.077","0.0831","","","","","","1.076","","","","has coordinates","276732","2022-07-08","06:47:54",""
"8105976","21.413","0.004","9.8568","0.0017","22.074","0.004","90","","93.426","0.004","90","","4650.7","1.5","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","1,6-di-<i>tert</i>-butyl-1,1,3,3,4,4,6,6-octamethyl-2,2,5,5-tetrakis (trimethylsilyl)hexasilane","","- C28 H78 Si10 -","- C28 H78 Si10 -","- C112 H312 Si40 -","4","2","","Xiao, Xu-Qiong; Xu, Jun-Ting; Wu, Yinan; Wang, Qiong-Yan","The crystal structure of 1,6-di-tert-butyl-1,1,3,3,4,4,6,6-octamethyl-2,2,5,5-tetrakis (trimethylsilyl)hexasilane, C28H78Si10","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1195","1198","10.1515/ncrs-2019-0321","","","0.71073","MoKα","","0.1139","0.0613","","","0.1386","0.175","","","","","","0.928","","","","has coordinates","278801","2022-10-26","08:37:25",""
"8107394","4.8622","0.0005","6.7853","0.0007","14.3349","0.0017","90","","96.556","0.003","90","","469.84","0.09","273","2","273","2","","","","","","","","3","P 1 n 1","P -2yac","7","Phellodenol-A","7-hydroxy-6-(2-hydroxyethyl)-2<i>H</i>-chromen-2-one","","- C11 H10 O4 -","- C11 H10 O4 -","- C22 H20 O8 -","2","1","","Huang, Hua; Yang, Jing; Sun, Yi-chun; Ye, Jiang-Hai; He, Kang; Zou, Juan","Crystal structure of 7-hydroxy-6-(2-hydroxyethyl)-2H-chromen-2-one, C11H10O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","201","202","10.1515/ncrs-2022-0529","","","0.71073","MoKα","","0.0887","0.0512","","","0.1075","0.1249","","","","","","1.017","","","","has coordinates","284501","2023-06-20","07:59:51",""
"8107408","11.832","0.003","11.326","0.003","23.837","0.006","90","","96.706","0.004","90","","3172.5","1.4","100","1","100","1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C18 H12 Cl2 N4 -","- C18 H12 Cl2 N4 -","- C144 H96 Cl16 N32 -","8","4","","Wang, Lutong; Lei, Sufang; Li, Yuanxiang","The crystal structure of 4,4′-dichloro-3,5′-diphenyl-1′H-1,3′- bipyrazole, C18H12Cl2N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","249","252","10.1515/ncrs-2022-0576","","x-ray","0.71073","MoKα","","0.0772","0.0517","","","0.1123","0.1281","","","","","","1.018","","","","has coordinates","284516","2023-06-21","08:55:58",""
"9001112","12.2949","","7.2206","","6.9558","","90","","90.401","","90","","617.497","","","","","","","","","","","","Shinkolobwe mine, Shaba, Zaire","3","P 1 n 1","P -2yac","7","","","Protasite","- Ba O14 U3 -","- Ba O14 U3 -","- Ba2 O28 U6 -","2","1","","Pagoaga, M. K.; Appleman, D. E.; Stewart, J. M.","Crystal structures and crystal chemistry of the uranyl oxide hydrates becquerelite, billietite, and protasite","American Mineralogist","1987","72","","1230","1238","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9004546","12.241","","7.008","","6.983","","90","","90.402","","90","","599.021","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","","Masuyite","- H6 O14 Pb1.05 U3 -","- H8 O14 Pb1.05 U3 -","- H16 O28 Pb2.1 U6 -","2","1","","Burns, P. C.; Hanchar, J. M.","The structure of masuyite, Pb[(UO2)3O3(OH)2](H2O)3, and its relationship to protasite","The Canadian Mineralogist","1999","37","","1483","1491","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004551","13.179","","20.895","","13.431","","90","","106.316","","90","","3549.61","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- H11 K5 O38 U10 -","- H11 K5 O38 U10 -","- H44 K20 O152 U40 -","4","2","","Burns, P. C.; Hill, F. C.","A new uranyl sheet in K5[(UO2)10O8(OH)9](H2O): New insight into sheet anion-topologies","The Canadian Mineralogist","2000","38","","163","173","10.2113/gscanmin.38.1.163","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9008291","8.098","","19.415","","9.059","","90","","91.96","","90","","1423.45","","","","","","","","","","","","Synthetic","3","P 1 n 1","P -2yac","7","","","Parapierrotite","- S8 Sb5 Tl -","- S8 Sb5 Tl -","- S32 Sb20 Tl4 -","4","2","","Engel, P.","Die kristallstruktur von synthetischem parapierrotit, TlSb5S8","Zeitschrift fur Kristallographie","1980","151","","203","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009597","7.26","","6.78","","11.09","","90","","91.5","","90","","545.694","","","","","","","","","","","","Langban, Varmland, Sweden","5","P 1 n 1","P -2yac","7","","","Trigonite","- As3 H Mn O9 Pb3 -","- As3 H Mn O9 Pb3 -","- As6 H2 Mn2 O18 Pb6 -","2","1","","Pertlik, F.","The crystal structure of trigonite, Pb3Mn(AsO3)2(AsO2(OH))","Tschermaks Mineralogische und Petrographische Mitteilungen","1978","25","","95","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9012527","6.386","","12.7796","","6.387","","90","","90.172","","90","","521.244","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","","Bariosincosite","- Ba H8 O14 P2 V2 -","- Ba H8 O14 P2 V2 -","- Ba2 H16 O28 P4 V4 -","2","1","","Roca, M.; Marcos, M. D.; Amoros, P.; Alamo, J.; Beltran-Porter A; Beltran-Porter D","Synthesis and crystal structure of a novel lamellar barium derivative: Ba(VOPO4)2*4H2O. Synthetic pathways for layered oxovanadium phosphate hydrates M(VOPO4)2*nH2O","Inorganic Chemistry","1997","36","","3414","3421","10.1021/ic970166+","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9013066","4.68","","4.95","","6.13","","90","","90.33","","90","","142.005","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","","Liberite","- Be Li2 O4 Si -","- Be Li2 O4 Si -","- Be2 Li4 O8 Si2 -","2","1","","Han-ching C","The crystal structure of liberite","Kexue Tongbao","1966","17","","425","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""