# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T11:04:49+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'A b a 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1004029","18.035","0.018","10.513","0.011","14.293","0.011","90","","90","","90","","2710","4.4","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C5 H16 Ga6 N2 O27 P6 -","- C5 H16 Ga6 N2 O27 P6 -","- C20 H64 Ga24 N8 O108 P24 -","4","","","Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.","Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3","Chemistry of Materials","2001","13","4","1305","1311","10.1021/cm001199h","","","1.54178","CuKα","","0.0366","0.0364","","0.1045","0.1041","","","","1.094","1.095","1.095","","","","","has coordinates","178246","2020-10-21","18:00:00",""
"1011124","11.08","0.05","11.14","0.06","8.97","0.04","90","","90","","90","","1107.2","","","","","","","","","","","","synthetic","4","A b a 2","A 2 -2ab","41","","Potassium pentaborate tetrahydrate","Santite","- B5 H8 K O12 -","- B5 H8 K O12 -","- B20 H32 K4 O48 -","4","","","Zachariasen, W. H.","The crystal structure of potassium acid dihydronium pentaborate KH~2~(H~3~O)~2~B~5~O~10~, (potassium pentaborate tetrahydrate)","Zeitschrift für Kristallographie - Crystalline Materials","1938","98","1-6","266","274","10.1524/zkri.1938.98.1.266","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1100858","9.92","0.002","34.927","0.007","14.849","0.003","90","","90","","90","","5144.6","1.8","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C27 H31 Fe2 N O2 Si -","- C27 H31 Fe2 N O2 Si -","- C216 H248 Fe16 N8 O16 Si8 -","8","","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0692","0.0478","","","0.1113","0.1212","","","","","","1.05","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1501635","10.0693","0.0007","13.9976","0.0007","16.2481","0.0008","90","","90","","90","","2290.1","0.2","295","","295","","","","","","","","Synthesized by the authors. See text","3","A b a 2","A 2 -2ab","41","","","","- C25 H12 Br4 -","- C25 H12 Br4 -","- C100 H48 Br16 -","4","","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0433","0.0424","","","0.1009","0.1011","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504131","10.4174","0.0009","37.939","0.004","10.277","0.0009","90","","90","","90","","4061.7","0.7","173","2","173","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C12 H6 O6 -","- C12 H6 O6 -","- C192 H96 O96 -","16","","","Li, Yan; Lampkins, Andrew J.; Baker, Matthew B.; Sumpter, Bobby G.; Huang, Jingsong; Abboud, Khalil A.; Castellano, Ronald K.","Benzotrifuranone: synthesis, structure, and access to polycyclic heteroaromatics.","Organic letters","2009","11","19","4314","4317","10.1021/ol901631n","","","0.71073","MoKα","","0.0511","0.0439","","","0.1007","0.1042","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506081","17.5451","0.0012","16.2722","0.0011","7.3076","0.0005","90","","90","","90","","2086.3","0.2","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C72 H120 N8 O32 -","8","","","Persson, Tobias; Nielsen, John","Synthesis of N-methoxy-N-methyl-beta-enaminoketoesters: new synthetic precursors for the regioselective synthesis of heterocyclic compounds.","Organic letters","2006","8","15","3219","3222","10.1021/ol0611088","","","0.71073","MoKα","","0.0423","0.04","","","0.095","0.0964","","","","","","1.104","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507519","24.646","0.005","10.612","0.002","13.602","0.003","90","","90","","90","","3557.5","1.3","213","2","213","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H11 Cl3 O S3 -","- C16 H11 Cl3 O S3 -","- C128 H88 Cl24 O8 S24 -","8","","","Marsella, Michael J.; Yoon, Kunsang; Tham, Fook S.","Synthesis and Crystal Structure of a Tubular Sexithiophene","Organic Letters","2001","3","13","2129","","10.1021/ol016122t","","","0.71073","MoKα","","0.1175","0.0749","","","0.2001","0.2329","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508019","17.919","0.004","15.19","0.004","8.255","0.002","90","","90","","90","","2246.9","0.9","190","","190","","","","","","","","","3","A b a 2","A 2 -2ab","41","","2,6-Bis[1,1-bis(2-pyridyl)ethyl]pyridine","","- C29 H25 N5 -","- C29 H25 N5 -","- C116 H100 N20 -","4","","","Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R.","High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes.","Nature chemistry","2010","2","5","362","368","10.1038/nchem.585","","","0.71073","MoKα","","0.0376","0.0346","","","0.0966","0.099","","","","","","0.838","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1510307","6.5124","","6.5162","","11.7065","","90","","90","","90","","496.778","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","","","- Au Sn4 -","- Au Sn4 -","- Au4 Sn16 -","4","","","Gohle, R.; Wolcyrz, M.; Kubiak, R.","Refinement of the crystal stuctures of Au Sn4 and Pd Sn4","Journal of the Less-Common Metals","1984","97","","265","269","10.1016/0022-5088(84)90031-6","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1512309","22.3172","0.0009","27.4649","0.0009","15.9655","0.0009","90","","90","","90","","9785.9","0.8","295","2","295","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C44 H29 N5 -","- C44 H29 N5 -","- C528 H348 N60 -","12","","","Leung, Man-kit; Hsieh, Yu-Hsuan; Kuo, Ting-Yi; Chou, Pi-Tai; Lee, Jiun-Haw; Chiu, Tien-Lung; Chen, Hsin-Jen","Novel Ambipolar Orthogonal Donor‒Acceptor Host for Blue Organic Light Emitting Diodes","Organic Letters","2013","15","18","4694","","10.1021/ol402001v","","","1.54178","CuKα","","0.0405","0.0367","","","0.0981","0.1029","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512643","12.6376","0.0007","15.9206","0.0009","7.5603","0.0004","90","","90","","90","","1521.12","0.14","98","2","98","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H12 Co N10 O2 -","- C12 H12 Co N10 O2 -","- C48 H48 Co4 N40 O8 -","4","","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0231","0.0226","","","0.0638","0.0641","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512689","17.335","0.005","26.819","0.007","9.015","0.002","90","","90","","90","","4191.1","1.9","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H30 Co2 N4 O14 S -","- C40 H30 Co2 N4 O14 S -","- C160 H120 Co8 N16 O56 S4 -","4","","","Guo-Ping Yang; Rui-Ting Liu; Chen Ren; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi","Silver(I)/cobalt(II) complexes with mixed V-shaped polycarboxylate and rod-like N-donor ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","393","","58","64","","","","0.71073","MoKα","","0.1423","0.1175","","","0.32","0.3482","","","","","","1.274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513952","23.975","0.003","82.044","0.012","14.299","0.002","90","","90","","90","","28126","7","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C57 H59 N O2 -","- C57 H59 N O2 -","- C1368 H1416 N24 O48 -","24","","","Bock, Harald; Subervie, Daniel; Mathey, Pierre; Pradhan, Anirban; Sarkar, Parantap; Dechambenoit, Pierre; Hillard, Elizabeth A.; Durola, Fabien","Helicenes from diarylmaleimides.","Organic letters","2014","16","6","1546","1549","10.1021/ol500154k","","","0.71073","MoKα","","0.1044","0.0685","","","0.1855","0.2144","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514198","26.511","0.002","27.724","0.002","7.4876","0.0007","90","","90","","90","","5503.3","0.8","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C27 H24 Cl2 N4 -","- C27 H24 Cl2 N4 -","- C216 H192 Cl16 N32 -","8","","","Jiang, Ting; Zhang, Ping; Yu, Changjiang; Yin, Jian; Jiao, Lijuan; Dai, En; Wang, Jun; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Straightforward Synthesis of Oligopyrroles through a Regioselective SNAr Reaction of Pyrroles and Halogenated Boron Dipyrrins.","Organic letters","2014","16","7","1952","1955","10.1021/ol500507f","","","0.71073","MoKα","","0.0676","0.0444","","","0.1008","0.1082","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514932","10.7541","0.0018","20.966","0.004","10.5543","0.0016","90","","90","","90","","2379.7","0.7","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C15 H11 N S -","- C15 H11 N S -","- C120 H88 N8 S8 -","8","","","Das, Sudipta; Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Guha, Subarna; Matalobos, Jesús Sanmartín; Das, Debasis","Thiophene anchored naphthalene derivative: Cr3+ selective turn-on fluorescent probe for living cell imaging","Analytical Methods","2012","4","8","2254","","10.1039/c2ay25384d","","","0.71073","MoKα","","0.0339","0.0299","","","0.0695","0.0717","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515160","8.8594","0.0003","8.8592","0.0002","46.7607","0.0014","90","","90","","90","","3670.12","0.19","200","","200","","","","","","","","Local laboratory","3","A b a 2","A 2 -2ab","41","","","","- C16 H8 O4 -","- C16 H8 O4 -","- C192 H96 O48 -","12","","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.081","0.048","","0.089","0.072","0.072","","","1.89","1.91","1.91","1.91","","","","has coordinates","189978","2020-10-21","18:00:00",""
"1515657","17.8309","0.0007","21.5961","0.001","12.2832","0.0003","90","","90","","90","","4730","0.3","223","2","223","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C25 H20 B F10 N -","- C25 H20 B F10 N -","- C200 H160 B8 F80 N8 -","8","","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0413","0.038","","","0.0984","0.1023","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515733","17.1668","0.0014","25.851","0.002","16.076","0.0013","90","","90","","90","","7134.2","1","173","2","173","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C23 H22 O -","- C23 H22 O -","- C368 H352 O16 -","16","","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.0747","0.0386","","","0.0536","0.059","","","","","","0.825","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516130","15.0516","0.0015","28.646","0.003","18.0316","0.0018","90","","90","","90","","7774.7","1.4","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C39 H32 N4 O6 S2 -","- C39 H32 N4 O6 S2 -","- C312 H256 N32 O48 S16 -","8","","","Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K.","Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals.","Organic letters","2014","16","11","2996","2999","10.1021/ol501125r","","","0.71073","MoKα","","0.1591","0.0803","","","0.1998","0.2453","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516824","12.576","0.0001","17.8297","0.0001","10.7632","0.0001","90","","90","","90","","2413.39","0.03","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C26 H20 Cu N6 O4 -","- C26 H20 Cu N6 O4 -","- C104 H80 Cu4 N24 O16 -","4","","","Satyajit Mondal; Sumita Naskar; Ayan Kumar Dey; Ekkehard Sinn; Carla Eribal; Steven R. Herron; Shyamal Kumar Chattopadhyay","Mononuclear and binuclear Cu(II) complexes of some tridentate aroyl hydrazones. X-ray crystal structures of a mononuclear and a binuclear complex","Inorganica Chimica Acta","2013","398","","98","105","","","","0.71073","","","0.0295","0.0288","","","0.0868","0.0882","","","","","","0.836","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521962","5.577","","15.346","","5.5414","","90","","90","","90","","474.259","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Bi2 (V0.8 Ge0.2) O5.4","","- Bi2 Ge0.2 O5.4 V0.8 -","- Bi2 Ge0.2 O5.4 V0.8 -","- Bi8 Ge0.8 O21.6 V3.2 -","4","","","Sooryanarayana, K.; Guru Row, T.N.; Varma, K.B.R.","Structural phase transitions in Bi2 V1-x Gex Co5.5-x/2 (x = 0.2, 0.4 and 0.6) single crystals: X-ray crystallographic study","Materials Research Bulletin","1999","34","","425","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","142179","2020-10-21","18:00:00",""
"1522306","6.3888","","6.4415","","11.4462","","90","","90","","90","","471.051","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","","","- Pd Sn4 -","- Pd Sn4 -","- Pd4 Sn16 -","4","","","Kubiak, R.; Wolcyrz, M.","Refinement of the crystal structures of Au Sn4 and Pd Sn4","Journal of the Less-Common Metals","1984","97","","265","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522861","6.478","","6.478","","12.155","","90","","90","","90","","510.078","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","","","- Pd0.89 Sn2 -","- Pd0.89 Sn2 -","- Pd7.12 Sn16 -","8","","","Schubert, K.; Pfisterer, H.","Zur Kristalchemie der B-Metall-reichsten Phasen in Legierungen von Uebergansmetallen der Eisen- und Platintriaden mit Elementen der 4. Nebengruppe","Zeitschrift fuer Metallkunde","1950","41","","433","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522862","6.397","","6.426","","11.381","","90","","90","","90","","467.84","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","","","- Pt Sn4 -","- Pt Sn4 -","- Pt4 Sn16 -","4","","","Schubert, K.; Roesler, U.","Die Kristallstruktur von Pt Sn4","Zeitschrift fuer Metallkunde","1950","41","","298","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525794","5.4091","","32.785","","5.4428","","90","","90","","90","","965.212","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Li2 Bi4 Ti3 O12","","- Bi4 Li2 O12 Ti3 -","- Bi4 Li2 O12 Ti3 -","- Bi16 Li8 O48 Ti12 -","4","","","Choy, J.-H.; Chung, I.; Kim, J.-Y.","Neutron diffraction and X-ray absorption spectroscopic analyses for lithiated Aurivillius-type layered perovskite oxide, Li2 Bi4 Ti3 O12","J. Phys. Chem. B","2001","105","","7908","7912","","","","","","","","","","","","","","","","","","","","","","has coordinates","146849","2020-10-21","18:00:00",""
"1526366","5.44","","13.58","","4.81","","90","","90","","90","","355.34","","","","","","","","","","","","","3","A b a 2","A 2 -2ab","41","","Si2 C N4","","- C N4 Si2 -","- C N4 Si2 -","- C4 N16 Si8 -","4","","","Riedel, R.; Greiner, A.; Aldinger, F.; Dressler, W.; Miehe, G.; Fuess, H.; Bill, J.","The first crystalline solids in the ternary Si - C - N system","Angewandte Chemie (Edition international)","1997","36","","603","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526626","5.533","","25.125","","5.534","","90","","90","","90","","769.318","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Sr Bi2 (Ta2 O9)","","- Bi2 O9 Sr Ta2 -","- Bi2 O9 Sr Ta2 -","- Bi8 O36 Sr4 Ta8 -","4","","","Kim, J.S.; Cheon, C.-I.; Shim, H.-S.; Lee, C.H.","Crystal structure and phase transitions of Sr1+x Bi2+y Ta2 O9 ceramics","Journal of the European Ceramic Society","2001","21","","1295","1298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528445","32.83","","5.411","","5.448","","90","","90","","90","","967.8","","","","","","","","","","","","","3","A b a 2","A 2 -2ab","41","","Bi4 Ti3 O12","","- Bi4 O12 Ti3 -","- Bi4 O12 Ti3 -","- Bi16 O48 Ti12 -","4","","","Dorrian, J.F.; Newnham, R.E.; Smith, D.K.jr.","Crystal structure of Bi4 Ti3 O12","Ferroelectrics","1971","3","","17","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","150681","2020-10-21","18:00:00",""
"1529518","13.1801","","21.7208","","12.1551","","90","","90","","90","","3479.79","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","(La (I O3)3)3 (H I O3) (H2 O)7","","- H15 I10 La3 O37 -","- H15 I10 La3 O37 -","- H60 I40 La12 O148 -","4","","","Abrahams, S.C.; Bernstein, J.L.","Pyroelectric (La (I O3)3)3 (H I O3) (H2 O)7. Crystal structure of the transition metal iodates. V.","Journal of Chemical Physics","1978","69","","2505","2513","","","","","","","","","","","","","","","","","","","","","","has coordinates","153950","2020-10-21","18:00:00",""
"1531653","19.851","","10.004","","8.6097","","90","","90","","90","","1709.8","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","K2 Hg3 Ge2 Se8","","- Ge2 Hg3 K2 Se8 -","- Ge2 Hg3 K2 Se8 -","- Ge8 Hg12 K8 Se32 -","4","","","Jin, X.-R.; Zhang, L.-D.; Guo, H.-Y.; Shu, G.-M.; Wang, R.-J.","Synthesis and characterization of a novel quaternary metal selenide K2 Hg3 Ge2 Se8","Journal of Alloys Compd.","2002","347","","67","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","157175","2020-10-21","18:00:00",""
"1531666","5.5457","","25.6975","","5.5496","","90","","90","","90","","790.877","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Pb Bi2 (Nb2 O9)","","- Bi2 Nb2 O9 Pb -","- Bi1.97 Nb2 O9 Pb1.03 -","- Bi7.88 Nb8 O36 Pb4.12 -","4","","","Kim, J.S.; Choo, W.-G.; Cheon, C.-I.; Lee, C.H.","Crystal structure of high temperature phase in (Bi2 O2)-layered perovskites A Bi2 M2 O9 (A = Pb, Sr; M = Nb, Ta)","Journal of the Korean Ceramic Society","2001","38","","962","966","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532326","8.9401","","8.9401","","8.9401","","90","","90","","90","","714.541","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","(N H4)3 (Al F6)","","- Al F6 H12 N3 -","- Al F6 H12 N3 -","- Al4 F24 H48 N12 -","4","","","Udovenko, A.A.; Laptash, N.M.; Maslenikova, I.G.","Orientation disorder in ammonium elpasolites. Crystal structures of(N H4)3 Al F6, (N H4)3 Ti O F5 and (N H4)3 Fe F6","Journal of Fluorine Chemistry","2003","124","","5","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535132","13.653","","18.526","","6.874","","90","","90","","90","","1738.68","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","La (H P2 O7) (H2 O)3","","- H7 La O10 P2 -","- H7 La O10 P2 -","- H56 La8 O80 P16 -","8","","","Ben Moussa, S.; Sanz, J.; Ventemillas, S.; Cabeza, A.; Gutierrez-Puebla, E.","Structure of trihydrated rare-earth acid diphosphates Ln H P2 O7 * 3(H2 O) (Ln = La, Er)","Journal of Solid State Chemistry","2004","177","","2129","2137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539288","6.491","","6.491","","12.179","","90","","90","","90","","513.139","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","Pd Sn2","","- Pd0.875 Sn2 -","- Pd0.875 Sn2 -","- Pd7 Sn16 -","8","","","Schubert, K.; Pfisterer, H.","Zur Kristallchemie der B-Metall-reichsten Phasen in in Legierungen von Uebergangsmetallen der Eisen- und Platintriaden mit Elementen der vierten Nebengruppe","Zeitschrift fuer Metallkunde","1950","41","","433","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","168139","2020-10-21","18:00:00",""
"2000735","5.598","0.002","15.292","0.009","5.532","0.002","90","","90","","90","","473.6","0.4","","","","","","","","","","","","3","A b a 2","A 2 -2ab","","","","","- Bi2 O5.5 V -","- Bi2 O6 V -","- Bi8 O24 V4 -","4","","DU0318","Touboul, M.; Lokaj, J.; Tessier, L.; Kettman, V.; Vrabel, V.","Structure of dibismuth vanadate Bi~2~VO~5.5~","Acta Crystallographica Section C","1992","48","7","1176","1179","10.1107/S010827019101421X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001269","11.511","0.003","15.654","0.005","12.358","0.005","90","","90","","90","","2226.8","1.3","294","","","","","","","","","","","4","A b a 2","A 2 -2ab","","","","","- C8 H20 I7 N -","- C8 H18 I7 N -","- C32 H72 I28 N4 -","4","","SE1023","Tebbe, K.-F.; Gilles, T.","Verfeinerung der Kristallstruktur des Tetraethylammoniumheptaiodids","Acta Crystallographica Section C","1993","49","11","2042","2045","10.1107/S0108270193003993","","","0.71069","MoKα","","","0.0321","","","0.0306","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005460","15.048","0.002","19.295","0.003","8.1684","0.001","90","","90","","90","","2371.7","0.6","294","1","294","1","","","","","","","","4","A b a 2","A 2 -2ab","41","","4,4'-Sulfonyldiphenol","","- C12 H10 O4 S -","- C12 H10 O4 S -","- C96 H80 O32 S8 -","8","","AB1406","Glidewell, C.; Ferguson, G.","Interpenetrating Square Nets in the Hydrogen-Bonded Structure of 4,4'-Sulfonyldiphenol","Acta Crystallographica Section C","1996","52","10","2528","2530","10.1107/S0108270196009316","","","0.7107","MolybdenumKα","","0.1579","0.0468","","0.0874","0.0722","","","","0.905","1.294","1.294","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005876","14.978","0.003","16.703","0.003","18.847","0.003","90","","90","","90","","4715.1","1.5","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1,2-bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine","","- C25 H35 N3 O -","- C25 H35 N3 O -","- C200 H280 N24 O8 -","8","","KA1214","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","1,2-Bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine","Acta Crystallographica Section C","1997","53","1","88","90","10.1107/S0108270196011080","","","1.54176","CuKα","","0.0573","0.045","","0.1331","0.1268","","","","1.056","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005879","18.07","0.003","21.23","0.004","9.021","0.002","90","","90","","90","","3460.7","1.2","296","1","","","","","","","","","","5","A b a 2","A 2 -2ab","41","","1,2-Bis(diphenylphosphino)ethanebis(toluenethiol)palladium(II), Pd{Ph~2~P(CH~2~)~2~PPh~2~}(SCH~2~Ph)~2~","","- C40 H38 P2 Pd S2 -","- C40 H38 P2 Pd S2 -","- C160 H152 P8 Pd4 S8 -","4","","KH1116","Su, W.; Hong, M.; Cao, R.; Liu, H.","[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']bis(α-toluenethiolato-<i>S</i>)palladium(II), [Pd{Ph~2~P(CH~2~)~2~PPh~2~}(SCH~2~Ph)~2~]","Acta Crystallographica Section C","1997","53","1","66","67","10.1107/S0108270196012036","","","0.71073","MoKα","","","0.039","","","0.054","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006202","9.193","0.0004","9.9973","0.0009","11.1516","0.0008","90","","90","","90","","1024.89","0.13","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- Mo8 O14 Sm -","- Mo8 O14 Sm -","- Mo32 O56 Sm4 -","4","","DU1168","Tortelier, J.; Gougeon, P.","SmMo~8~O~14~","Acta Crystallographica Section C","1997","53","6","668","671","10.1107/S0108270196015533","","","0.71073","MoKα","","0.0232","0.0202","","0.046","0.0453","","","","1.285","1.299","1.299","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008440","20.652","0.002","8.8934","0.0006","7.5917","0.0005","90","","90","","90","","1394.34","0.19","297","","273","","","","","","","","","5","A b a 2","A 2 -2ab","41","cadmium isopropylxanthate","cadmium(II) bis-(O-isopropyldithiocarbonate)","","- C8 H14 Cd O2 S4 -","- C8 H14 Cd0.5 O2 S4 -","- C32 H56 Cd2 O8 S16 -","4","","BK1413","Tomlin, David W.; Cooper, Thomas M.; Zelmon, David E.; Gebeyehu, Zewdu; Hughes, John M.","Cadmium isopropylxanthate","Acta Crystallographica Section C","1999","55","5","717","719","10.1107/S010827019801823X","","","0.7107","MoKα","","0.025","0.025","","","0.034","","","","1.27","1.27","1.27","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008934","7.3785","0.0002","47.9241","0.001","5.9069","0.0002","90","","90","","90","","2088.73","0.1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","Bis{4,4'-[di-(2-carbomethoxy-5-thienyl)]} phenyl ether","","- C24 H18 O5 S2 -","- C24 H18 O5 S2 -","- C96 H72 O20 S8 -","4","","LN1085","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Susmita Gupta; Jayanta Kumar Ray","Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether","Acta Crystallographica Section C","1999","55","9","1517","1519","10.1107/S0108270199008021","","","0.71073","MoKα","","0.0369","0.0304","","","","0.0952","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010179","15.75","0.003","13.47","0.002","13.356","0.002","90","","90","","90","","2833.5","0.8","291","","","","","","","","","","","4","A b a 2","A 2 -2ab","","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","","HL1045","Suh, I-H.; Lim, S-S.; Lee, J-H.; Ryu, B-Y; Kim, M-J.; Yoon, C.S.; Hong, H-K.; Lee, K.S.","4-Methoxy-3-methyl-4'-nitrostilbene, C~16~H~15~NO~3~","Acta Crystallographica Section C","1994","50","11","1768","1770","10.1107/S0108270194000533","","","0.71069","MoKα","","","0.0414","","","0.0415","","","","","1.067","1.067","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011159","19.0603","0.0005","16.596","0.0004","15.4192","0.0003","90","","90","","90","","4877.5","0.2","100","1","100","1","","","","","","","","7","A b a 2","A 2 -2ab","41","","Bis(acetonitrile-N)(o-benzoquinone diimine-N,N')-trans-bis(triphenyl- phosphine-P)ruthenium(II) hexafluorophosphate methanol solvate","","- C47 H46 F12 N4 O P4 Ru -","- C47 H46 F12 N4 O P4 Ru -","- C188 H184 F48 N16 O4 P16 Ru4 -","4","","QA0305","Venegas-Yazigi, Diego; Mirza, Hameed; Lever, A. B. P.; Lough, Alan J.; Costamagna, Juan; Latorre, Ramón","Bis(acetonitrile-<i>N</i>)(<i>o</i>-benzoquinone diimine-<i>N</i>,<i>N</i>')-<i>trans</i>-bis(triphenylphosphine-<i>P</i>)ruthenium(II) bis(hexafluorophosphate) methanol solvate","Acta Crystallographica Section C","2000","56","7","e281","e282","10.1107/S0108270100007654","","","0.71073","MoKα","","0.033","0.027","","","","0.073","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014246","11.99","0.003","11.814","0.003","22.606","0.006","90","","90","","90","","3202.1","1.4","102","","102","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Hexamethylenetetramine‒rac-trans-1,2-cyclohexanedicarboxylic acid (1:1)","","- C14 H24 N4 O4 -","- C14 H24 N4 O4 -","- C112 H192 N32 O32 -","8","","SK1744","Venkatraman, Ramaiyer; Ray, Paresh Chandra; Fronczek, Frank R.","The 1:1 adduct of hexamethylenetetramine (HMT) with racemic <i>trans</i>-1,2-cyclohexanedicarboxylic acid (CDA)","Acta Crystallographica Section C","2004","60","9","o633","o635","10.1107/S0108270104015963","","","0.71073","MoKα","","0.053","0.041","","","0.092","0.097","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015247","15.2414","0.0002","22.643","0.0009","8.3783","0.0005","90","","90","","90","","2891.4","0.2","120","2","120","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride","","- C13 H10 Cl2 N4 O4 -","- C13 H10 Cl2 N4 O4 -","- C104 H80 Cl16 N32 O32 -","8","","GG3003","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine","Acta Crystallographica Section C","2006","62","4","o222","o226","10.1107/S0108270106006512","","","0.71073","MoKα","","0.0331","0.0299","","","0.0718","0.0741","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2019709","12.664","0.006","30.334","0.015","7.06","0.004","90","","90","","90","","2712","2","296","2","296","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","Poly[aqua[μ~4~-2-(4-carboxylatobenzoyl)benwq3074zoato]cadmium(II)]","","- C15 H10 Cd O6 -","- C15 H10 Cd O6 -","- C120 H80 Cd8 O48 -","8","","LG3147","Chen, Hui-Ru; Zhang, Wen-Wen","A novel two-dimensional Cd^II^ coordination polymer: poly[aqua[μ~4~-2-(4-carboxylatobenzoyl)benzoato]cadmium(II)]","Acta Crystallographica Section C","2014","70","11","1079","1082","10.1107/S2053229614022852","","","0.71073","MoKα","","0.0417","0.0282","","","0.051","0.0547","","","","","","0.993","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019768","8.1164","0.0003","13.3844","0.0005","22.7824","0.0008","90","","90","","90","","2474.92","0.16","90","2","90","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","5-Iodo-1-phenylindolin-2-one","","- C14 H10 I N O -","- C14 H10 I N O -","- C112 H80 I8 N8 O8 -","8","","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.039","0.0297","","","0.0678","0.0719","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019787","12.379","0.0007","19.2445","0.0013","9.8987","0.0006","90","","90","","90","","2358.1","0.3","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>]manganese(II)","","- C24 H20 Mn N10 O2 -","- C24 H20 Mn N10 O2 -","- C96 H80 Mn4 N40 O8 -","4","","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0713","0.041","","","0.0826","0.0925","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2100267","9.3789","0.0016","13.658","0.002","13.661","0.002","90","","90","","90","","1749.9","0.5","220","2","220","2","","","","","","","","3","A b a 2","A 2 -2ab","41","Cyclobutanol","","","- C4 H8 O -","- C4 H8 O -","- C64 H128 O16 -","16","","WS5024","Dave Allan, D","The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)","Acta Crystallographica Section B","2005","61","4","449","454","10.1107/S0108768105019191","","","0.71073","MoKα","","0.0454","0.0418","","","0.1023","0.1043","","","","","","1.074","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100268","9.3312","0.0015","13.642","0.002","13.619","0.002","90","","90","","90","","1733.6","0.5","100","2","100","2","","","","","","","","3","A b a 2","A 2 -2ab","41","Cyclobutanol","","","- C4 H8 O -","- C4 H8 O -","- C64 H128 O16 -","16","","WS5024","Dave Allan, D","The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)","Acta Crystallographica Section B","2005","61","4","449","454","10.1107/S0108768105019191","","","0.71073","MoKα","","0.0519","0.0468","","","0.1049","0.1063","","","","","","0.996","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102342","7.4127","","34.03","","6.1829","","90","","90","","90","","1559.66","","","","","","","","","","","","","3","A b a 2","","41","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2103973","9.183","0.001","15.745","0.001","6.73","0.001","90","","90","","90","","973.07","0.19","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C H3 Na2 O6 -","- C H3 Na2 O6 -","- C8 H24 Na16 O48 -","8","","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","1.5418","CuKα","","0.0317","0.0317","","","0.0858","0.0858","","","","","","1.159","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2200274","9.1639","0.0002","9.973","0.0002","11.1913","0.0002","90","","90","","90","","1022.79","0.04","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- Mo7.7 Nd O14 -","- Mo7.698 Nd O14 -","- Mo30.792 Nd4 O56 -","4","","BT6039","Barrier, N.; Gougeon, P.","NdMo~7.7~O~14~ containing Mo~6~, Mo~7~ and Mo~8~ clusters","Acta Crystallographica Section E","2001","57","6","i46","i48","10.1107/S1600536801007103","","","0.7107","MoKα","","0.0391","0.0355","","","","0.084","","","","","","1.107","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2201752","9.1611","0.0004","9.9709","0.0009","11.1916","0.0008","90","","90","","90","","1022.29","0.13","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- Mo7.62 O14 Pr -","- Mo7.622 O14 Pr -","- Mo30.488 O56 Pr4 -","4","","BR6072","Barrier, N.; Gougeon, P.","The cluster compound PrMo~7.6~O~14~","Acta Crystallographica Section E","2003","59","3","i28","i30","10.1107/S1600536802022973","","","0.7107","MoKα","","0.0492","0.0413","","","0.0894","0.0932","","","","","","1.103","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204287","22.8724","0.0005","17.0573","0.0004","11.6326","0.0003","90","","90","","90","","4538.36","0.19","120","2","120","2","","","","","","","","3","A b a 2","A 2 -2ab","41","Neophyltriphenylstannane","(2-Methyl-2-phenylpropyl)triphenylstannane","","- C28 H28 Sn -","- C28 H28 Sn -","- C224 H224 Sn8 -","8","","CF6377","Howie, R. Alan; Wardell, James L.","(2-Methyl-2-phenylpropyl)triphenylstannane","Acta Crystallographica Section E","2004","60","10","m1536","m1538","10.1107/S160053680402330X","","","0.71073","MoKα","","0.0298","0.0271","","","0.066","0.0672","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204611","17.228","0.003","14.464","0.003","13.556","0.003","90","","90","","90","","3378","1.2","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis(μ-9-oxidofluorene-9-carboxylato-κ^3^O,O':O)bis[aqua(1H-imidazole- κN^3^)copper(II)] methanol solvate","","- C35 H32 Cu2 N4 O9 -","- C35 H32 Cu2 N4 O9 -","- C140 H128 Cu8 N16 O36 -","4","","BT6552","Huo, Li-Hua; Gao, Shan; Zhao, Hui; Ng, Seik Weng","Bis(μ-9-oxidofluorene-9-carboxylato-κ^3^<i>O,O</i>':<i>O</i>)bis[aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)] methanol solvate","Acta Crystallographica Section E","2004","60","12","m1747","m1749","10.1107/S1600536804027096","","","0.71073","MoKα","","0.038","0.034","","","0.084","0.086","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2205529","9.8562","0.0012","13.4978","0.0017","11.8371","0.0014","90","","90","","90","","1574.8","0.3","298","2","298","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","6,6'-Dioxo-2,2-bi(7-oxatricyclo[3.2.1.1^3,8^]nonane)-4,4'-dicarboxylic acid","","- C18 H18 O8 -","- C18 H18 O8 -","- C72 H72 O32 -","4","","KP6045","Mao-Lin Hu; Ya-Qian Cheng; Shun Wang; Ji-Xin Yuan; Xiao-Qing Cai","6,6'-Dioxo-2,2-bi(7-oxatricyclo[3.2.1.1^3,8^]nonane)-4,4'-dicarboxylic acid","Acta Crystallographica Section E","2005","61","4","o1196","o1197","10.1107/S1600536805009669","","","0.71073","MoKα","","0.0414","0.0403","","","0.0881","0.0887","","","","","","1.185","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208670","7.2756","0.0009","33.583","0.0006","6.132","0.005","90","","90","","90","","1498.3","1.2","120","2","120","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","","LH2026","Harrison, William T. A.; Sarojini, B. K.; Vijaya Raj, K. K.; Yathirajan, H. S.; Narayana, B.","A redetermination of 1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one at 120(2)K","Acta Crystallographica Section E","2006","62","4","o1522","o1523","10.1107/S1600536806009640","","","0.71073","MoKα","","0.104","0.0519","","","0.1059","0.1267","","","","","","1.102","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208695","12.948","0.004","21.805","0.004","10.47","0.002","90","","90","","90","","2956","1.2","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis(2,2'-bipyridine-κ^2^N,N')bis(4-hydroxybenzoato-κO)manganese(II)","","- C34 H26 Mn N4 O6 -","- C34 H26 Mn N4 O6 -","- C136 H104 Mn4 N16 O24 -","4","","RN6074","Zi-Qiang Hu; Lian-Bin Wu; Guo-Qiao Lai","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(4-hydroxybenzoato-κ<i>O</i>)manganese(II)","Acta Crystallographica Section E","2006","62","4","m712","m713","10.1107/S1600536806007422","","","0.71073","MoKα","","0.038","0.031","","","0.07","0.072","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209528","12.57","0.002","18.731","0.004","10.6482","0.0019","90","","90","","90","","2507.1","0.8","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis{N-(2-hydroxybenzoyl)-N'-[1-(2-pyridyl)ethylidene]hydrazinato]copper(II)","","- C28 H24 Cu N6 O4 -","- C28 H24 Cu N6 O4 -","- C112 H96 Cu4 N24 O16 -","4","","HG2032","Dang, Dong-Bin; Bai, Yan; Duan, Chun-Ying","Bis{<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene}hydrazinato]copper(II)","Acta Crystallographica Section E","2006","62","7","m1567","m1568","10.1107/S1600536806019337","","","0.71073","MoKα","","0.0452","0.0355","","","0.0742","0.0769","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210275","12.495","0.003","18.672","0.004","10.549","0.002","90","","90","","90","","2461.2","0.9","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis{N-(2-hydroxybenzoyl)-N'-[1-(2-pyridyl)ethylidene]hydrazinato}nickel(II)","","- C28 H24 N6 Ni O4 -","- C28 H24 N6 Ni O4 -","- C112 H96 N24 Ni4 O16 -","4","","HG2095","Dang, Dong-Bin; Bai, Yan; Duan, Chun-Ying","Bis{<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazinato}nickel(II)","Acta Crystallographica Section E","2006","62","9","m2290","m2292","10.1107/S1600536806032624","","","0.71073","MoKα","","0.0342","0.0296","","","0.0625","0.0636","","","","","","1.015","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210543","18.7541","0.0009","21.9752","0.0011","5.0082","0.0003","90","","90","","90","","2064","0.19","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","2,4-Dibromo-6-(2-hydroxyethyliminiomethyl)phenolate","","- C9 H9 Br2 N O2 -","- C9 H9 Br2 N O2 -","- C72 H72 Br16 N8 O16 -","8","","CI2161","Sun, Yu-Xi; Zhang, Ran; Tian, Lai-Jin; Xu, Lai-Xiang; Sun Shan-Li","2,4-Dibromo-6-(2-hydroxyethyliminiomethyl)phenolate","Acta Crystallographica Section E","2006","62","10","o4433","o4435","10.1107/S1600536806036245","","","0.71073","MoKα","","0.0259","0.0239","","","0.0547","0.0553","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210708","13.7388","0.0004","33.5802","0.0008","5.9538","0.0002","90","","90","","90","","2746.8","0.14","120","2","120","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","3-[4-(Methylsulfanyl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one","","- C16 H13 N O3 S -","- C16 H13 N O3 S -","- C128 H104 N8 O24 S8 -","8","","LH2179","Harrison, William T. A.; Yathirajan, H. S.; Mithun, A.; Narayana, B.; Sarojini, B. K.","3-[4-(Methylsulfanyl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4508","o4509","10.1107/S160053680603710X","","","0.71073","MoKα","","0.0429","0.035","","","0.0778","0.0811","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211243","18.619","0.003","21.447","0.004","4.8779","0.0009","90","","90","","90","","1947.9","0.6","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","(E)-2,4-dichloro-6-[(2-hydroxyethyliminio)methyl]phenolate","","- C9 H9 Cl2 N O2 -","- C9 H9 Cl2 N O2 -","- C72 H72 Cl16 N8 O16 -","8","","YA2024","Ling Huang; Ding-Ben Chen; Duan Qiu; Bo Zhao","(<i>E</i>)-2,4-Dichloro-6-[(2-hydroxyethyliminio)methyl]phenolate","Acta Crystallographica Section E","2006","62","11","o5239","o5240","10.1107/S1600536806043716","","","0.71073","MoKα","","0.031","0.03","","","0.072","0.073","","","","","","1.05","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2213076","11.5745","0.0003","17.5499","0.0005","11.2629","0.0003","90","","90","","90","","2287.85","0.11","160","1","160","1","","","","","","","","4","A b a 2","A 2 -2ab","41","cyclohexanone","3-Cyano-3-methyl-5-phenylcyclohexanone","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","","AT2244","M. Subramanyam; A. Thiruvalluvar; R. T. Sabapathy; S. Kamatchi","3-Cyano-3-methyl-5-phenylcyclohexanone","Acta Crystallographica Section E","2007","63","5","o2715","o2716","10.1107/S1600536807014055","","","0.71073","MoKα","","0.0503","0.0393","","","0.0879","0.0949","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2214777","8.6927","0.0014","19.106","0.003","16.834","0.003","90","","90","","90","","2795.8","0.8","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Di-μ-acetato-κ^4^O:O'-μ-oxido-κ^2^O:O-bis[(acetic acid-κO)bis(1H-imidazole-κN^3^)magnesium(II)]","","- C20 H30 Mg2 N8 O9 -","- C20 H30 Mg2 N8 O9 -","- C80 H120 Mg8 N32 O36 -","4","","LH2433","Stadie, Nicholas P.; Sanchez-Smith, Rebeca; Groy, Thomas L.","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-μ-oxido-κ^2^<i>O</i>:<i>O</i>-bis[(acetic acid-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)magnesium(II)]","Acta Crystallographica Section E","2007","63","8","m2153","m2154","10.1107/S1600536807033818","","","0.71073","MoKα","","0.0934","0.0705","","","0.1379","0.1469","","","","","","1.167","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2214918","14.159","0.001","9.843","0.001","15.221","0.001","90","","90","","90","","2121.3","0.3","295","2","295","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","Diaqua(cyclohexane-1,2-diamine-κ^2^N,N')(N,N,N',N'- tetramethylethylenediamine-κ^2^N,N')nickel(II) dichloride dihydrate","","- C12 H38 Cl2 N4 Ni O4 -","- C12 H38 Cl2 N4 Ni O4 -","- C48 H152 Cl8 N16 Ni4 O16 -","4","","XU2296","Zhang, Yu-Zhen; Chen, Zi-Lu; Ng, Seik Weng","Diaqua(cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2007","63","8","m2228","m2228","10.1107/S1600536807035386","","","0.71073","MoKα","","0.026","0.025","","","0.072","0.073","","","","","","1.116","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2214940","12.5658","0.0009","15.4595","0.0011","11.8864","0.0009","90","","90","","90","","2309.1","0.3","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","[(bipy)2RuCl2].CH2Cl2","cis-Bis(2,2'-bipyridyl)dichloridoruthenium(II) dichloromethane solvate","","- C21 H18 Cl4 N4 Ru -","- C21 H18 Cl4 N4 Ru -","- C84 H72 Cl16 N16 Ru4 -","4","","AT2362","Al-Noaimi, Mousa; Haddad, Salim F.","<i>cis</i>-Bis(2,2'-bipyridyl)dichloridoruthenium(II) dichloromethane solvate","Acta Crystallographica Section E","2007","63","9","m2332","m2332","10.1107/S1600536807037865","","","0.71073","MoKα","","0.0349","0.0275","","","0.0605","0.0642","","","","","","1.036","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2217027","22.926","0.005","17.93","0.004","6.836","0.001","90","","90","","90","","2810","1","295","2","295","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","N-(4-Aminophenyl)-1,8-naphthalimide hemihydrate","","- C18 H13 N2 O2.5 -","- C18 H13 N2 O2.5 -","- C144 H104 N16 O20 -","8","","EZ2108","Fang-Fang Jian; Li-Ming Wang; Li Du; Jing Wang","<i>N</i>-(4-Aminophenyl)-1,8-naphthalimide hemihydrate","Acta Crystallographica Section E","2008","64","1","o263","o263","10.1107/S160053680706583X","","","0.71073","MoKα","","0.0716","0.0691","","","0.1623","0.1637","","","","","","1.331","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2218250","9.0483","0.0015","21.881","0.006","13.806","0.004","90","","90","","90","","2733.4","1.2","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","Bis(η^5^-cyclopentadienyl)bis(2,4,6-trimethylphenyltellurolato)zirconium(IV)","","- C28 H32 Te2 Zr -","- C28 H32 Te2 Zr -","- C112 H128 Te8 Zr4 -","4","","SJ2480","Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","Bis(η^5^-cyclopentadienyl)bis(2,4,6-trimethylphenyltellurolato)zirconium(IV)","Acta Crystallographica Section E","2008","64","5","m667","","10.1107/S1600536808009574","","","0.71073","MoKα","","0.0581","0.0404","","","0.0798","0.0873","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2218533","18.663","0.004","8.8101","0.0018","22.727","0.005","90","","90","","90","","3736.8","1.4","150","2","","","","","","","","","","5","A b a 2","A 2 -2ab","41","","Di-μ-acetato-μ-aqua-bis[acetatobis(1H-benzimidazole)cobalt(II)]","","- C36 H38 Co2 N8 O9 -","- C36 H38 Co2 N8 O9 -","- C144 H152 Co8 N32 O36 -","4","","SI2092","Zimmermann, Iwan; Keene, Tony D.; Neels, Antonia; Decurtins, Silvio","Di-μ-acetato-μ-aqua-bis[acetatobis(1<i>H</i>-benzimidazole)cobalt(II)]","Acta Crystallographica Section E","2008","64","6","m845","m846","10.1107/S1600536808015596","","","0.71073","MoKα","","","0.0352","","","","0.0775","","","","","","0.886","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220929","15.9691","0.001","8.3482","0.0005","16.7767","0.0011","90","","90","","90","","2236.6","0.2","295","2","295","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","<i>N</i>,<i>N</i>'-Bis(4-bromobenzylidene)biphenyl-2,2'-diamine","","- C26 H18 Br2 N2 -","- C26 H18 Br2 N2 -","- C104 H72 Br8 N8 -","4","","TK2356","Dehghanpour, Saeed; Asadizadeh, Saeedeh; Gao, Shan; Ng, Seik Weng","<i>N</i>,<i>N</i>'-Bis(4-bromobenzylidene)biphenyl-2,2'-diamine","Acta Crystallographica Section E","2009","65","2","o306","","10.1107/S1600536809000993","","","0.71073","MoKα","","0.085","0.034","","","0.083","0.116","","","","","","0.98","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2221522","18.2758","0.0006","18.5123","0.0006","7.7947","0.0003","90","","90","","90","","2637.16","0.16","118","2","118","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1-Naphthyl quinoxalin-2-yl ether","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C144 H96 N16 O8 -","8","","TK2386","Hassan, Noor Doha; Tajuddin, Hairul Anuar; Abdullah, Zanariah; Ng, Seik Weng","1-Naphthyl quinoxalin-2-yl ether","Acta Crystallographica Section E","2009","65","4","o731","","10.1107/S1600536809007867","","","0.71073","MoKα","","0.055","0.038","","","0.079","0.087","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221975","14.599","0.003","19.29","0.004","12.955","0.003","90","","90","","90","","3648.3","1.4","291","2","291","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","Bis[μ-1,1'-(Ferrocene-1,1'-diyl)bis(butane-1,3-dionato)]di-μ-methanol- diiron(II)","","- C38 H40 Fe4 O10 -","- C38 H40 Fe4 O10 -","- C152 H160 Fe16 O40 -","4","","CV2543","Xiao, Yan-Feng; Li, Hong-Feng; Yan, Peng-Fei; Li, Guang-Ming","Bis[μ-1,1'-(ferrocene-1,1'-diyl)bis(butane-1,3-dionato)]di-μ-methanol-diiron(II)","Acta Crystallographica Section E","2009","65","6","m624","","10.1107/S1600536809016353","","","0.71073","MoKα","","0.0399","0.0306","","","0.0656","0.0686","","","","","","1.05","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2222592","13.0119","0.0003","22.4944","0.0005","7.5355","0.0002","90","","90","","90","","2205.6","0.09","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","2-(2-Naphthyloxy)pyrimidine","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","","BT2997","Shah Bakhtiar, Nasir; Akmam A. Bakar, Maizathul; Abdullah, Zanariah; Ng, Seik Weng","2-(2-Naphthyloxy)pyrimidine","Acta Crystallographica Section E","2009","65","8","o1881","","10.1107/S1600536809026592","","","0.71073","MoKα","","0.033","0.0293","","","0.0777","0.0805","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223367","9.9777","0.0003","18.8351","0.0004","7.6963","0.0002","90","","90","","90","","1446.37","0.07","100","","100","","","","","","","","","3","A b a 2","A 2 -2ab","41","","2,9-Dimethyl-6<i>H</i>,13<i>H</i>-5:12,7:14- dimethanodibenzo[<i>d</i>,<i>i</i>][1,3,6,8]tetraazecine","","- C18 H20 N4 -","- C18 H20 N4 -","- C72 H80 N16 -","4","","FB2167","Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; González-Salas, Diego; Dacunha-Marinho, Bruno","2,9-Dimethyl-6<i>H</i>,13<i>H</i>-5:12,7:14-dimethanodibenzo[<i>d</i>,<i>i</i>][1,3,6,8]tetraazecine","Acta Crystallographica Section E","2009","65","10","o2553","","10.1107/S1600536809038380","","","0.71073","MoKα","","0.0392","0.0334","","","0.0863","0.0903","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2223665","10.7793","0.0012","21.26","0.002","10.7244","0.001","90","","90","","90","","2457.7","0.4","298","2","298","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","<i>N</i>-(2-Thienylmethylene)naphthalen-1-amine","","- C15 H11 N S -","- C15 H11 N S -","- C120 H88 N8 S8 -","8","","BX2244","Tao, Xuquan; Cui, Hui","<i>N</i>-(2-Thienylmethylene)naphthalen-1-amine","Acta Crystallographica Section E","2009","65","11","o2779","","10.1107/S1600536809041774","","","0.71073","MoKα","","0.0556","0.0358","","","0.0683","0.0762","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226460","33.529","0.002","23.3375","0.001","15.2046","0.001","90","","90","","90","","11897.3","1.2","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","(4-Aminobenzenesulfonato)heptaaquagadolinium(III) 4-aminobenzenesulfonate nitrate 4,4'-bipyridyl tetrasolvate dihydrate","","- C52 H62 Gd N11 O18 S2 -","- C52 H62 Gd N11 O18 S2 -","- C416 H496 Gd8 N88 O144 S16 -","8","","HB5454","Hao, Lujiang; Zhang, Xiaofei; Chen, Jiangkui","(4-Aminobenzenesulfonato)heptaaquagadolinium(III) 4-aminobenzenesulfonate nitrate 4,4'-bipyridyl tetrasolvate dihydrate","Acta Crystallographica Section E","2010","66","7","m740","m741","10.1107/S1600536810020520","","","0.71073","MoKα","","0.0472","0.036","","","0.0825","0.088","","","","","","1.003","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2227908","15.4637","0.0003","18.6594","0.0004","9.8008","0.0002","90","","90","","90","","2827.96","0.1","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis[1-(2-ethoxyphenyl)-3-(4-nitrophenyl)triazenido]mercury(II)","","- C28 H26 Hg N8 O6 -","- C28 H26 Hg N8 O6 -","- C112 H104 Hg4 N32 O24 -","4","","PV2312","Rofouei, Mohammad Kazem; Fereyduni, Ehsan; Attar Gharamaleki, Jafar; Bruno, Giuseppe; Amiri Rudbari, Hadi","Bis[1-(2-ethoxyphenyl)-3-(4-nitrophenyl)triazenido]mercury(II)","Acta Crystallographica Section E","2010","66","9","m1082","","10.1107/S1600536810031326","","","0.71073","MoKα","","0.0465","0.038","","","0.0983","0.11","","","","","","1.148","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228239","15.1651","0.001","22.7953","0.0013","8.9132","0.0006","90","","90","","90","","3081.2","0.3","193","2","193","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","<i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-methoxymethyl- 4-methylbenzenesulfonamide","","- C14 H15 Cl N2 O3 S -","- C14 H15 Cl N2 O3 S -","- C112 H120 Cl8 N16 O24 S8 -","8","","BT5411","Bühler, Stefanie; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan","<i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-methoxymethyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2010","66","12","o3321","","10.1107/S1600536810048336","","","1.54178","CuKα","","0.0541","0.0527","","","0.1541","0.1578","","","","","","1.113","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229882","17.2644","0.0012","20.4707","0.0016","7.9139","0.0005","90","","90","","90","","2796.9","0.3","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","<i>N</i>-Cyclohexyl-4-methoxybenzenesulfonamide","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C104 H152 N8 O24 S8 -","8","","XU5173","Khan, Muneeb Hayat; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Mughal, Shumaila Younas; Akkurt, Mehmet","<i>N</i>-Cyclohexyl-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o885","o886","10.1107/S1600536811009172","","","0.71073","MoKα","","0.0747","0.0483","","","0.1176","0.1363","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","201978","2020-10-21","18:00:00",""
"2231357","25.5434","0.0011","18.7954","0.0008","12.0837","0.0005","90","","90","","90","","5801.4","0.4","173","2","173","2","","","","","","","","5","A b a 2","A 2 -2ab","41","1-(2-Ureidoethyl)quinolinium tetraphenylborate","1-[2-(carbamoylamino)ethyl]quinolinium tetraphenylboranuide","","- C36 H34 B N3 O -","- C36 H34 B N3 O -","- C288 H272 B8 N24 O8 -","8","","XU5255","Dong, Zhi-Yun; Yang, Yu; Gao, Guo-Hua","1-(2-Ureidoethyl)quinolinium tetraphenylborate","Acta Crystallographica Section E","2011","67","8","o2031","","10.1107/S1600536811027218","","","0.71073","MoKα","","0.0342","0.0273","","","0.065","0.0697","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231446","9.8633","0.0006","19.0429","0.0014","7.672","0.0007","90","","90","","90","","1441","0.19","119.7","","120","","","","","","","","","4","A b a 2","A 2 -2ab","41","2,9-Dichloro-6<i>H</i>,13<i>H</i>-5:12,7:14- dimethanodibenzo[<i>d</i>,<i>i</i>][1,3,6,8]tetraazecine","4,13-dichloro-1,8,10,17-tetraazapentacyclo[8.8.1.1^8,17^.0^2,7^.0^11,16^]icosa- 2,4,6,11(16),12,14-hexaene","","- C16 H14 Cl2 N4 -","- C16 H14 Cl2 N4 -","- C64 H56 Cl8 N16 -","4","","BX2366","Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","2,9-Dichloro-6<i>H</i>,13<i>H</i>-5:12,7:14-dimethanodibenzo[<i>d</i>,<i>i</i>][1,3,6,8]tetraazecine","Acta Crystallographica Section E","2011","67","9","o2395","","10.1107/S1600536811033721","","","1.5418","CuKα","","0.0389","0.0359","","","0.0912","0.0952","","","","","","1.33","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231649","12.3169","0.0009","18.0787","0.0015","8.3819","0.0005","90","","90","","90","","1866.4","0.2","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(<i>p</i>-toluenesulfonamide)","","- C17 H22 N2 O4 S2 -","- C17 H22 N2 O4 S2 -","- C68 H88 N8 O16 S8 -","4","","OM2455","Khan, Islam Ullah; Sheikh, Tahir Ali; Ejaz; Harrison, William T. A.","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(<i>p</i>-toluenesulfonamide)","Acta Crystallographica Section E","2011","67","9","o2371","","10.1107/S1600536811030820","","","0.71073","MoKα","","0.0324","0.0284","","","0.075","0.0781","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233181","14.3101","0.0004","9.362","0.0002","10.2697","0.0002","90","","90","","90","","1375.84","0.06","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","2-[((<i>E</i>)-2-{2-[(<i>E</i>)-2- Hydroxybenzylidene]hydrazinecarbonyl}hydrazinylidene)methyl]phenol","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","","HB6561","Bikas, Rahman; Anarjan, Parisa Mahboubi; Ng, Seik Weng; Tiekink, Edward R. T.","2-[((<i>E</i>)-2-{2-[(<i>E</i>)-2-Hydroxybenzylidene]hydrazinecarbonyl}hydrazinylidene)methyl]phenol","Acta Crystallographica Section E","2012","68","1","o193","","10.1107/S1600536811053268","","","1.54178","CuKα","","0.0267","0.0265","","","0.075","0.0751","","","","","","1.1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233516","31.015","0.0006","17.501","0.0005","8.0461","0.0009","90","","90","","90","","4367.4","0.5","150","1","150","1","","","","","","","","4","A b a 2","A 2 -2ab","41","","4,5-Diiodo-2-phenyl-1<i>H</i>-imidazole","","- C9 H6 I2 N2 -","- C9 H6 I2 N2 -","- C144 H96 I32 N32 -","16","","IM2350","Chlupatý, Tomáš; Pařík, Patrik; Padělková, Zdeňka","4,5-Diiodo-2-phenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","2","o553","o554","10.1107/S1600536812003017","","","0.71073","MoKα","","0.0362","0.0289","","","0.0497","0.0513","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234250","21.9367","0.0009","19.009","0.0009","16.1742","0.0006","90","","90","","90","","6744.6","0.5","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","[<i>meso</i>-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II)","","- C36 H16 Br4 N4 Ni S4 -","- C36 H16 Br4 N4 Ni S4 -","- C288 H128 Br32 N32 Ni8 S32 -","8","","HG5191","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","[<i>meso</i>-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II)","Acta Crystallographica Section E","2012","68","4","m471","m472","10.1107/S1600536812011671","","","0.71073","MoKα","","0.0778","0.0556","","","0.1273","0.1397","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236696","12.53","0.004","6.3056","0.0018","8.562","0.003","90","","90","","90","","676.5","0.4","293","2","293","2","","","","","","","Christmas Mine, Gila County, Arizona, USA","5","A b a 2","A 2 -2ab","41","Junitoite","calcium dizinc disilicate monohydrate","Junitoite","- Ca H2 O8 Si2 Zn2 -","- Ca H2 O8 Si2 Zn2 -","- Ca4 H8 O32 Si8 Zn8 -","4","","WM2677","Yang, Hexiong; Jenkins, Neil G.; Downs, Robert T.","Redetermination of junitoite, CaZn~2~Si~2~O~7~·H~2~O","Acta Crystallographica Section E","2012","68","10","i73","i73","10.1107/S1600536812037622","","","0.71073","MoKα","","0.0189","0.0173","","","0.0426","0.0436","","","","","","1.066","","","","has coordinates,has Fobs","287670","2023-11-17","14:28:49",""
"2237143","13.1537","0.0006","31.0875","0.0013","8.3175","0.0003","90","","90","","90","","3401.2","0.2","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","7-[(Morpholin-4-yl)(phenyl)methyl]quinolin-8-ol","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C160 H160 N16 O16 -","8","","GK2537","Novina, J. Josephine; Vasuki, G.; Muthukumar, C.; Sabastiyan, A.; Crochet, A.; Fromm, K. M.","7-[(Morpholin-4-yl)(phenyl)methyl]quinolin-8-ol","Acta Crystallographica Section E","2013","69","1","o45","","10.1107/S1600536812049343","","","1.54186","CuKα","","0.0291","0.0277","","","0.073","0.0739","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2238283","27.2051","0.0006","20.4336","0.0005","11.437","0.0002","90","","90","","90","","6357.8","0.2","175","","175","","","","","","","","","7","A b a 2","A 2 -2ab","41","","Poly[tetrabutylammonium [chloridohexamethyl-μ~3~-sulfato-distannate(IV)]]","","- C22 H54 Cl N O4 S Sn2 -","- C22 H54 Cl N O4 S Sn2 -","- C176 H432 Cl8 N8 O32 S8 Sn16 -","8","","WM2750","Diop, Tidiane; van der Lee, Arie; Sidibé, Mamadou","Poly[tetrabutylammonium [chloridohexamethyl-μ~3~-sulfato-distannate(IV)]]","Acta Crystallographica Section E","2013","69","7","m406","m407","10.1107/S1600536813016723","","","0.71073","MoKα","","0.0612","0.0528","","0.0586","0.053","0.0529","","","","","","1.0688","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239755","19.065","0.002","28.668","0.004","11.88","0.0014","90","","90","","90","","6493.1","1.4","273","2","273","2","","","","","","","","4","A b a 2","A 2 -2ab","41","Z-1,4-dione","(<i>Z</i>)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione","","- C16 H8 Cl4 O2 -","- C16 H8 Cl4 O2 -","- C256 H128 Cl64 O32 -","16","","","Tittal, Ram K.; Kumar, Satish; Ram, R. N.","(<i>Z</i>)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2014","70","8","o861","o862","10.1107/S1600536814015463","","","0.71073","MoKα","","0.0767","0.0652","","","0.1366","0.1454","","","","","","1.134","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2310221","9.211","","9.156","","12.386","","90","","90","","90","","1044.58","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","","","Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.","Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7","Acta Crystallographica (1,1948-23,1967)","1962","15","","894","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310565","8.74","","8.87","","6.14","","90","","90","","90","","475.996","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","I F7","","- F7 I -","- F7 I -","- F28 I4 -","4","","","Donohue, J.","Concerning the evidence for the molecular symmetry of I F7","Acta Crystallographica (1,1948-23,1967)","1965","18","","1018","1021","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4021571","9.139","0.0014","19.074","0.004","26.46","0.004","90","","90","","90","","4612.5","1.3","295","2","295","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C12 H22 O -","- C12 H22 O -","- C192 H352 O16 -","16","","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.0911","0.0585","","","0.1302","0.1436","","","","","","1.016","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021871","19.877","0.004","18.927","0.004","8.0012","0.0016","90","","90","","90","","3010.2","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0614","0.0474","","","0.1278","0.1322","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025601","25.3621","0.0014","16.7341","0.0009","18.5947","0.001","90","","90","","90","","7891.8","0.7","150","2","150","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C34 H40 D18 N8 O5 S3 -","- C34 H40 D18 N8 O5 S3 -","- C272 H320 D144 N64 O40 S24 -","8","","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0406","0.0372","","","0.0915","0.0943","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025668","21.208","0.004","16.936","0.002","13.147","0.003","90","","90","","90","","4722.1","1.5","123","2","123","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C30 H32 N2 S -","- C30 H32 N2 S -","- C240 H256 N16 S8 -","8","","","Motonori Watanabe; Kenta Goto; Masahiko Shibahara; Teruo Shinmyozu","Synthesis, Structure, and Electronic and Photophysical Properties of Two- and Three-Layered [3.3]Paracyclophane-Based Donor-Acceptor Systems(1)","Journal of Organic Chemistry","2010","75","","6104","6114","10.1021/jo100688m","","","0.71075","MoKα","","0.0735","0.072","","","0.2032","0.2054","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4028383","17.2631","0.0012","35.327","0.003","8.9843","0.0006","90","","90","","90","","5479.1","0.7","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C30 H32 N4 O3 -","- C30 H32 N4 O3 -","- C240 H256 N32 O24 -","8","","","Shokoofeh Maghari; Sorour Ramezanpour; Saeed Balalaie; Fatemeh Darvish; Frank Rominger; Hamid Reza Bijanzadeh","Synthesis of Functionalized Pseudopeptides through Five-Component Sequential Ugi/Nucleophilic Reaction of N-Substituted 2-Alkynamides with Hydrazides","Journal of Organic Chemistry","2013","78","","6450","6456","10.1021/jo4003294","","","0.71073","MoKα","","0.0459","0.0376","","","0.0951","0.1","","","","","","1.075","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028507","13.2591","0.0004","25.5247","0.0007","10.0154","0.0003","90","","90","","90","","3389.56","0.17","296","2","296","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C23 H19 N -","- C23 H19 N -","- C184 H152 N8 -","8","","","Keith Ramig; Edyta M. Greer; David J. Szalda; Sasan Karimi; Allen Ko; Laura Boulos; Jiansan Gu; Nathan Dvorkin; Hema Bhramdat; Gopal Subramaniam","NMR Spectroscopic and Computational Study of Conformational Isomerism in Substituted 2-Aryl-3H-1-benzazepines: Toward Isolable Atropisomeric Benzazepine Enantiomers","Journal of Organic Chemistry","2013","78","","8028","8036","10.1021/jo4013089","","","0.71073","MoKα","","0.0421","0.0346","","","0.0891","0.0943","","","","","","1.055","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4060562","18.2792","0.0012","22.9191","0.0015","8.519","0.0006","90","","90","","90","","3569","0.4","173","2","173","2","","","","","","","","2","A b a 2","A 2 -2ab","41","","","","- C24 H26 -","- C24 H26 -","- C192 H208 -","8","","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063812","16.979","0.007","17.446","0.005","21.989","0.006","90","","90","","90","","6513","4","143","1","143","1","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C29 H33 Cl2 N3 Ru -","- C29 H33 Cl2 N3 Ru -","- C232 H264 Cl16 N24 Ru8 -","8","","","Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H.","Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0)","Organometallics","2011","30","8","2125","","10.1021/om100953g","","","0.71073","MoKα","","0.0439","0.0412","","","0.1068","0.1104","","","","","","1.139","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4065171","17.1942","0.0012","20.923","0.002","9.6941","0.0008","90","","90","","90","","3487.5","0.5","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C37 H34 F12 Fe2 N2 P2 -","- C37 H34 F12 Fe2 N2 P2 -","- C148 H136 F48 Fe8 N8 P8 -","4","","","Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Asselberghs, Inge; Clays, Koen; Van Cleuvenbergen, Stijn; Brunschwig, Bruce S.","Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity","Organometallics","2011","30","21","5731","","10.1021/om200604f","","","0.71073","MoKα","","0.0828","0.0542","","","0.1149","0.1216","","","","","","0.911","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065548","23.55","0.005","17.464","0.004","16.528","0.003","90","","90","","90","","6798","2","93","2","93","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C37 H52 N2 O Ru -","- C37 H52 N2 O Ru -","- C296 H416 N16 O8 Ru8 -","8","","","Nun, Pierrick; Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Ruthenium Hydroxide Complexes in the Racemization of Secondary Alcohols","Organometallics","2011","30","23","6347","","10.1021/om200956r","","","0.71073","MoKα","","0.0564","0.0423","","","0.1034","0.1168","","","","","","0.805","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4068663","32.473","0.005","17.736","0.003","8.873","0.002","90","","90","","90","","5110.3","1.6","173","2","173","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C24 H29 Cl O3 P2 Pd -","- C24 H29 Cl O3 P2 Pd -","- C192 H232 Cl8 O24 P16 Pd8 -","8","","","Hamada, Adel; Braunstein, Pierre","Palladium Alkyl Complexes Containing β-Phosphonato−Phosphine P,O Ligands and Their Reactivity toward CO-Ethylene or -Acrylate Insertion","Organometallics","2009","28","6","1688","","10.1021/om801020e","","","0.71069","MoKα","","0.0517","0.0346","","","0.0727","0.0795","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069502","24.418","0.0008","23.1746","0.0009","9.4477","0.0003","90","","90","","90","","5346.2","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","A b a 2","A 2 -2ab","41","","","","- C52 H72 Cu4 N4 O4 -","- C52 H72 Cu4 N4 O4 -","- C208 H288 Cu16 N16 O16 -","4","","","Oguadinma, Paul O.; Schaper, Frank","Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes","Organometallics","2009","28","14","4089","","10.1021/om9002279","","","1.54178","CuKα","","0.0419","0.0364","","","0.0838","0.0859","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076946","12.421","0.0005","12.603","0.0007","17.924","0.0006","90","","90","","90","","2805.9","0.2","110","2","110","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C24 H45 B3 O6 -","- C24.096 H45.144 B3 O6 -","- C96.384 H180.576 B12 O24 -","4","","","Ali, Hijazi Abu; El Aziz Al Quntar, Abed; Goldberg, Israel; Srebnik, Morris","Platinum(0)-Catalyzed Diboration of Alkynylboronates and Alkynylphosphonates with Bis(pinacolato)diborane(4): Molecular Structures of [((Me4C2O2)B)(C6H5)CC(P(O)(OC2H5)2)(B(O2C2Me4))] and [((Me4C2O2)B)(C4H9)CC(B(O2C2Me4))2]","Organometallics","2002","21","21","4533","","10.1021/om020334s","","","0.71073","MoKα","","0.1063","0.0618","","","0.1108","0.1341","","","","","","1.081","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4077751","21.625","0.0015","19.226","0.0015","15.125","0.001","90","","90","","90","","6288.4","0.8","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C56 H77 Cl2 Gd4 N5 O3 Si4 -","- C56 H64 Cl2 Gd4 N5 O3 Si4 -","- C224 H256 Cl8 Gd16 N20 O12 Si16 -","4","","","Xie, Zuowei; Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.","Synthesis and Structure of the First Tetranuclear Organolanthanide Cluster Containing aμ4-Imido Group","Organometallics","1999","18","9","1578","","10.1021/om981002j","","","0.71073","MoKα","","0.0642","0.0631","","0.1597","0.1583","","","","1.058","1.059","1.059","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077752","21.528","0.0012","19.101","0.0011","15.104","0.001","90","","90","","90","","6210.9","0.6","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C56 H77 Cl2 Er4 N5 O3 Si4 -","- C56 H77 Cl2 Er4 N5 O3 Si4 -","- C224 H308 Cl8 Er16 N20 O12 Si16 -","4","","","Xie, Zuowei; Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.","Synthesis and Structure of the First Tetranuclear Organolanthanide Cluster Containing aμ4-Imido Group","Organometallics","1999","18","9","1578","","10.1021/om981002j","","","0.71073","MoKα","","0.0632","0.0518","","0.1182","0.1124","","","","1.137","1.154","1.154","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4079875","8.2733","0.0005","14.2973","0.0011","23.5083","0.0011","90","","90","","90","","2780.7","0.3","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C8 H10 Ag3 N4 O6 -","- C8 H10 Ag3 N4 O6 -","- C64 H80 Ag24 N32 O48 -","8","","","Hu, Ting; Mak, Thomas C. W.","Silver(I) Double and Multiple Salts Containing 1,5-Hexadiyne-1,6-diide and Nitrate Ions","Organometallics","2013","32","1","202","","10.1021/om300988r","","","0.71073","MoKα","","0.0525","0.0476","","","0.1149","0.1186","","","","","","1.059","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4080623","15.1461","0.0008","16.6023","0.0011","7.776","0.0003","90","","90","","90","","1955.35","0.18","100","2","100","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C23 H28 N4 -","- C23 H28 N4 -","- C92 H112 N16 -","4","","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.1012","0.076","","","0.1986","0.2209","","","","","","1.021","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4081101","8.975","0.002","17.704","0.004","18.027","0.004","90","","90","","90","","2864.4","1.1","153","2","153","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C12 H18.5 Co0.5 I N O2.5 -","- C12 H18.5 Co0.5 I N O2.5 -","- C96 H148 Co4 I8 N8 O20 -","8","","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2013","32","14","3980","","10.1021/om400450n","","","0.71073","MoKα","","0.0481","0.0374","","","0.0805","0.0847","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083268","19.6897","0.0002","25.1941","0.0003","17.6879","0.0002","90","","90","","90","","8774.34","0.17","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C50 H53 B Cl Ir N4 -","- C50 H53 B Cl Ir N4 -","- C400 H424 B8 Cl8 Ir8 N32 -","8","","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0332","0.0237","","","0.0498","0.0522","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083272","19.6719","0.0013","25.202","0.0015","17.6312","0.0009","90","","90","","90","","8741","0.9","90","2","90","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C50 H53 B Cl N4 Rh -","- C50 H53 B Cl N4 Rh -","- C400 H424 B8 Cl8 N32 Rh8 -","8","","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0878","0.0402","","","0.0722","0.0826","","","","","","0.992","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4086033","22.639","","12.8789","","11.6326","","90","","90","","90","","3391.66","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Fe (Ru2 (C O)12)","","- C12 Fe O12 Ru2 -","- C12 Fe O12 Ru2 -","- C96 Fe8 O96 Ru16 -","8","","","Farrugia, L.J.; Grepioni, F.; Gillon, A.L.; Braga, D.","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",""
"4100318","43.523","0.015","23.303","0.008","15.201","0.005","90","","90","","90","","15417","9","193","2","193","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C44 H103 Cl12 Fe10 N15 -","- C44 H103 Cl12 Fe10 N15 -","- C352 H824 Cl96 Fe80 N120 -","8","","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101011","24.13","0.015","12.02","0.008","16.008","0.01","90","","90","","90","","4643","5","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C23 H14 Cr N2 O9 -","- C23 H14 Cr N2 O9 -","- C184 H112 Cr8 N16 O72 -","8","","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja053933+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4102736","10.31","0.004","35.917","0.014","12.402","0.005","90","","90","","90","","4593","3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C53 H54 N4 O8 S2 -","- C53 H54 N4 O8 S2 -","- C212 H216 N16 O32 S8 -","4","","","Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna","Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability","Journal of the American Chemical Society","2010","132","","10498","10512","10.1021/ja103289a","","","0.71073","MoKα","","0.1239","0.0995","","","0.2342","0.2494","","","","","","1.091","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4105011","26.522","0.009","28.749","0.01","26.062","0.009","90","","90","","90","","19872","12","143.1","","","","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C66 H150 Fe8 N6 O3 S9 Si8 -","- C66 H131 Fe8 N6 O3 S9 Si8 -","- C528 H1048 Fe64 N48 O24 S72 Si64 -","8","","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0577","","","","0.1594","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105013","26.503","0.012","29.012","0.014","26.224","0.012","90","","90","","90","","20164","16","173.1","","","","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C62 H140 Cl2 Fe8 N6 O2.5 S9 Si8 -","- C62 H98 Cl2 Fe8 N6 O2.5 S9 Si8 -","- C496 H784 Cl16 Fe64 N48 O20 S72 Si64 -","8","","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0595","","","","0.1338","","","","","","1.274","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105014","26.201","0.002","28.989","0.002","26.46","0.002","90","","90","","90","","20097","3","173.1","","","","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C64 H144 Br2 Fe8 N6 O3 S9 Si8 -","- C64 H80 Br2 Fe8 N6 O3 S9 Si8 -","- C512 H640 Br16 Fe64 N48 O24 S72 Si64 -","8","","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0649","","","","0.162","","","","","","2.217","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105838","13.799","0.003","14.187","0.003","14.323","0.003","90","","90","","90","","2804","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Pr4 S9 Sb -","- Ga Pr4 S9 Sb -","- Ga8 Pr32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0204","0.018","","","0.0335","0.0417","","","","","","1.127","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105839","13.759","0.005","14.113","0.005","14.3","0.005","90","","90","","90","","2776.8","1.7","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Nd4 S9 Sb -","- Ga Nd4 S9 Sb -","- Ga8 Nd32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0194","0.0165","","","0.0381","0.0693","","","","","","1.228","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105840","13.64","0.003","13.983","0.003","14.166","0.003","90","","90","","90","","2701.9","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga S9 Sb Sm4 -","- Ga S9 Sb Sm4 -","- Ga8 S72 Sb8 Sm32 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0411","0.0367","","","0.0857","0.1338","","","","","","1.091","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105841","13.5733","0.0016","13.8956","0.0018","14.0982","0.0019","90","","90","","90","","2659","0.6","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Gd4 S9 Sb -","- Ga Gd4 S9 Sb -","- Ga8 Gd32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0128","0.0114","","","0.0265","0.0596","","","","","","1.307","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105842","13.53","0.005","13.85","0.005","14.05","0.005","90","","90","","90","","2632.8","1.7","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga S9 Sb Tb4 -","- Ga S9 Sb Tb4 -","- Ga8 S72 Sb8 Tb32 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.036","0.0329","","","0.0694","0.0722","","","","","","1.044","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105843","13.4762","0.0014","13.8105","0.0011","14.0109","0.0016","90","","90","","90","","2607.6","0.5","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Dy4 Ga S9 Sb -","- Dy4 Ga S9 Sb -","- Dy32 Ga8 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0274","0.0255","","","0.0509","0.052","","","","","","1","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105844","13.427","0.005","13.756","0.005","13.954","0.005","90","","90","","90","","2577.3","1.6","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Ho4 S9 Sb -","- Ga Ho4 S9 Sb -","- Ga8 Ho32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0322","0.0305","","","0.0634","0.0645","","","","","","1.015","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4110858","36.478","0.009","26.208","0.007","16.165","0.006","90","","90","","90","","15454","8","193","2","193","2","","","","","","","","7","A b a 2","A 2 -2ab","41","(Et4N)5[8].8MeCN","","","- C92 H164 B4 Fe12 Mo4 N37 S20 -","- C92 H140 B4 Fe12 Mo4 N37 S20 -","- C368 H560 B16 Fe48 Mo16 N148 S80 -","4","","","Curtis P. Berlinguette; R. H. Holm","Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile","Journal of the American Chemical Society","2006","128","","11993","12000","10.1021/ja063604x","","","0.71073","MoKα","","0.1042","0.0878","","","0.1968","0.2046","","","","","","1.156","","","","has coordinates,has disorder","178879","2020-10-21","18:00:00",""
"4113599","36.883","0.01","26.168","0.006","16.194","0.006","90","","90","","90","","15630","8","293","2","293","2","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C46 H82 B2 Fe6 Mo2 N18.5 S7 Se3 -","- C46 H80.5 B2 Fe6 Mo2 N18.5 S7 Se3 -","- C368 H644 B16 Fe48 Mo16 N148 S56 Se24 -","8","","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.127","0.0501","","","0.1007","0.1145","","","","","","0.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114009","19.082","0.008","9.551","0.004","8.2871","0.0008","90","","90","","90","","1510.3","0.9","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","potassium mercury germanium sulfide (2/3/2/8)","","- Ge2 Hg3 K2 S8 -","- Ge Hg1.5 K S4 -","- Ge8 Hg12 K8 S32 -","8","","","J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis","α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response","Journal of the American Chemical Society","2003","125","","9484","9493","10.1021/ja034121l","","","0.71073","MoKα","","0.0881","0.0751","","","0.1876","0.1953","","","","","","1.132","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114010","19.5634","0.0025","9.8527","0.0013","8.4667","0.0011","90","","90","","90","","1632","0.4","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","potassium mercury tin sulfide (2/3/2/8)","","- Hg3 K2 S8 Sn2 -","- Hg1.5 K S4 Sn -","- Hg12 K8 S32 Sn8 -","8","","","J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis","α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response","Journal of the American Chemical Society","2003","125","","9484","9493","10.1021/ja034121l","","","0.71073","MoKα","","0.0445","0.043","","","0.1133","0.1145","","","","","","0.964","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114672","45.47","0.01","20.523","0.008","8.229","0.003","90","","90","","90","","7679","4","223","","","","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C29 H38 Cu F12 N5 O5 P2 -","- C29 H30 Cu F12 N5 O5 P2 -","- C232 H240 Cu8 F96 N40 O40 P16 -","8","","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.1002","","","","0.1259","","","","","","3.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114673","44.87","0.01","20.292","0.005","8.17","0.002","90","","90","","90","","7439","3","223","","","","","","","","","","","8","A b a 2","A 2 -2ab","41","","","","- C29 H38 Cl Cu F6 N5 O9 P -","- C29 H30 Cl Cu F6 N5 O9 P -","- C232 H240 Cl8 Cu8 F48 N40 O72 P8 -","8","","","Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita","Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers","Journal of the American Chemical Society","2002","124","","2568","2583","10.1021/ja0113192","","","0.7107","MoKα","","","0.0971","","","","0.1226","","","","","","3.333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115433","14.2877","0.0002","21.2552","0.0004","8.2422","0.0002","90","","90","","90","","2503.06","0.08","158","2","158","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H41 Ge N Si4 -","- C16 H41 Ge N Si4 -","- C64 H164 Ge4 N4 Si16 -","4","","","Karla A. Miller; Thomas W. Watson; John E. Bender; Mark M. Banaszak Holl; Jeff W. Kampf","Intermolecular C-H Insertions and Cyclization Reactions Involving a Stable Germylene","Journal of the American Chemical Society","2001","123","","982","983","10.1021/ja0026408","","","0.71073","MoKα","","0.0635","0.0502","","","0.1174","0.1268","","","","","","1.07","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4116818","22.942","0.004","24.674","0.011","10.775","0.004","90","","90","","90","","6099","4","150","","150","","","","","","","","see text","5","A b a 2","A 2 -2ab","41","","","","- C46 H88 Cl4 N10 O12 -","- C46 H88 Cl4 N10 O12 -","- C184 H352 Cl16 N40 O48 -","4","","","Anton W. Bosman; Monique J. Bruining; Huub Kooijman; Anthony L. Spek; René A. J. Janssen; E. W. Meijer","Concerning the Localization of End Groups in Dendrimers","Journal of the American Chemical Society","1998","120","","8547","8548","10.1021/ja981626g","","","0.71073","MoKα","","0.0681","0.0546","","","0.1294","0.1384","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121603","13.1543","0.0008","21.7445","0.0011","8.6774","0.0006","90","","90","","90","","2482","0.3","228","2","228","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H20 Co N2 O4 -","- C28 H20 Co N2 O4 -","- C112 H80 Co4 N8 O16 -","4","","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0503","0.042","","","0.1079","0.1123","","","","","","1.051","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4122326","36.036","0.001","21.732","0.001","41.308","0.003","90","","90","","90","","32350","3","291","2","291","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C304 H320 Au16 N16 O16 S32 -","- C304 H320 Au16 N16 O16 S32 -","- C1216 H1280 Au64 N64 O64 S128 -","4","","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.7501","","","0.0459","0.0427","","","0.0958","0.0966","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4305301","16.0444","0.0015","36.222","0.003","15.2264","0.0014","90","","90","","90","","8849","1.4","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C52 H90 F24 N12 Ni6 O25 -","- C52 H90 F24 N12 Ni6 O25 -","- C208 H360 F96 N48 Ni24 O100 -","4","","","Z. Tomkowicz; S. Ostrovsky; H. Müller-Bunz; A. J. Hussein Eltmimi; M. Rams; D. A. Brown; W. Haase","Extended Triple-Bridged Ni(II)- and Co(II)-Hydroxamate Trinuclear Complexes: Synthesis, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2008","47","","6956","6963","10.1021/ic800264y","","","0.71073","MoKα","","0.0395","0.0354","","","0.0878","0.0911","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4306458","15.681","0.003","16.058","0.003","16.549","0.005","90","","90","","90","","4167.1","1.7","143","2","143","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C29 H71 Li3 O5 Y2 -","- C29 H71 Li3 O5 Y2 -","- C116 H284 Li12 O20 Y8 -","4","","","Mathias U. Kramer; Dominique Robert; Stefan Arndt; Peter M. Zeimentz; Thomas P. Spaniol; Ahmed Yahia; Laurent Maron; Odile Eisenstein; Jun Okuda","Cationic Methyl Complexes of the Rare-Earth Metals: An Experimental and Computational Study on Synthesis, Structure, and Reactivity","Inorganic Chemistry","2008","47","","9265","9278","10.1021/ic801259n","","","0.71073","MoKα","","0.1185","0.0519","","","0.1029","0.1241","","","","","","1.007","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306459","16.447","0.003","16.171","0.003","15.734","0.003","90","","90","","90","","4184.7","1.3","150","2","150","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C29 H71 Li3 O5 Tb2 -","- C29 H71 Li3 O5 Tb2 -","- C116 H284 Li12 O20 Tb8 -","4","","","Mathias U. Kramer; Dominique Robert; Stefan Arndt; Peter M. Zeimentz; Thomas P. Spaniol; Ahmed Yahia; Laurent Maron; Odile Eisenstein; Jun Okuda","Cationic Methyl Complexes of the Rare-Earth Metals: An Experimental and Computational Study on Synthesis, Structure, and Reactivity","Inorganic Chemistry","2008","47","","9265","9278","10.1021/ic801259n","","","0.71073","MoKα","","0.0455","0.0303","","","0.0708","0.0782","","","","","","1.034","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4308706","32.453","0.005","17.774","0.002","8.834","0.001","90","","90","","90","","5095.6","1.1","173","2","173","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C24 H29 Cl O3 P2 Pt -","- C24 H29 Cl O3 P2 Pt -","- C192 H232 Cl8 O24 P16 Pt8 -","8","","","Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter","Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex","Inorganic Chemistry","2005","44","","1391","1403","10.1021/ic0485559","","","0.71069","MoKα","","0.0618","0.0318","","","0.0665","0.0755","","","","","","0.871","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308717","39.5675","0.0016","17.7672","0.0018","19.237","0.004","90","0.002","90","0.002","90","0.002","13524","3","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","[Pt(Me)(dmphen)(PCy3)](TFPB)","","","- C56 H48 B F24 N2 P Pt -","- C65 H57 B F24 N2 P Pt -","- C520 H456 B8 F192 N16 P8 Pt8 -","8","","","Raffaello Romeo; Salvatore Carnabuci; Maria Rosaria Plutino; Andrea Romeo; Silvia Rizzato; Alberto Albinati","Structural Properties and Dissociative Fluxional Motion of 2,9-Dimethyl-1,10-Phenanthroline in Platinum(II) Complexes","Inorganic Chemistry","2005","44","","1248","1262","10.1021/ic0485920","","","0.71069","MoKα","","0.0805","0.0465","","","0.1048","0.1212","","","","","","0.994","","","","has coordinates,has disorder","179125","2020-10-21","18:00:00",""
"4310100","21.2382","0.0013","29.477","0.0019","19.4191","0.0013","90","","90","","90","","12157.1","1.4","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C84 H124 Mn12 O48 -","- C84 H160 Mn12 O48 -","- C336 H640 Mn48 O192 -","4","","","Philippa King; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Single-Molecule Magnets: A Reductive Aggregation Route to New Types of Mn12 Complexes","Inorganic Chemistry","2005","44","","8659","8669","10.1021/ic051150j","","","0.71073","MoKα","","0.1491","0.0556","","","0.0969","0.1195","","","","","","0.81","","","","has coordinates,has disorder","179140","2020-10-21","18:00:00",""
"4312110","14.1579","0.001","14.7107","0.0009","16.1177","0.0007","90","","90","","90","","3356.9","0.3","173","2","173","2","","","","","","","synthesis as described","5","A b a 2","A 2 -2ab","41","","","","- C15 H26 Cl Cu N6 -","- C15 H26 Cl Cu N6 -","- C120 H208 Cl8 Cu8 N48 -","8","","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.71073","MoKα","","0.0626","0.0391","","","0.0785","0.0859","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312406","16.675","0.004","17.238","0.001","24.881","0.002","90","","90","","90","","7151.9","1.9","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","(ImH2)3(1)","(C3N2H5)4[Mo8O16(O3P-C6H4-PO3H)4]","","- C33 H33 Mo8 N6 O40 P8 -","- C33 H33 Mo8 N6 O40 P8 -","- C132 H132 Mo32 N24 O160 P32 -","4","","","Nathalie Calin; Slavi C. Sevov","Novel Mixed-Valence Heteropolyoxometalates: A Molybdenum Diphosphonate Anion [MoV7MoVIO16(O3PPhPO3H)4]3- and Its One- and Two-Dimensional Assemblies","Inorganic Chemistry","2003","42","","7304","7308","10.1021/ic034505c","","","0.71073","MoKα","","0.0585","0.0465","","","0.1167","0.1237","","","","","","1.043","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312502","14.568","0.0012","21.6097","0.0019","21.0226","0.0018","90","","90","","90","","6618.1","1","100","2","100","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","μ-oxobis{[2,7,12,17-tetraethyl-3,6,13,16- tetrakis(trifluoromethyl)porphycenato]iron}","","- C65 H49 Cl3 F24 Fe2 N8 O -","- C65 H48 Cl3 F24 Fe2 N8 O -","- C260 H192 Cl12 F96 Fe8 N32 O4 -","4","","","Takashi Hayashi; Yuji Nakashima; Kazuyuki Ito; Takahiro Ikegami; Isao Aritome; Katsuhiro Aoyagi; Tsutomu Ando; Yoshio Hisaeda","Synthesis, Characterization, and Autoreduction of a Highly Electron-Deficient Porphycenatoiron(III) with Trifluoromethyl Substituents","Inorganic Chemistry","2003","42","","7345","7347","10.1021/ic034757d","","","0.71073","MoKα","","0.0434","0.0372","","","0.0831","0.0854","","","","","","1.015","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312664","14.19","0.02","7.087","0.008","23.76","0.04","90","","90","","90","","2389","6","158.1","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C30 H26 Cu N4 -","- C30 H26 Cu N4 -","- C120 H104 Cu4 N16 -","4","0.5","","Chizu Shimokawa; Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh","Substituent Effects of β-Diketiminate Ligands on the Structure and Physicochemical Properties of Copper(II) Complexes","Inorganic Chemistry","2003","42","","8395","8405","10.1021/ic0344766","","","0.7107","MoKα","","","0.024","","","","0.048","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313593","28.436","0.002","17.4172","0.0009","9.9671","0.0006","90","","90","","90","","4936.5","0.5","100","2","100","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C53 H65 Fe N2 O3 P S2 -","- C53 H65 Fe N2 O3 P S2 -","- C212 H260 Fe4 N8 O12 P4 S8 -","4","","","Prasanta Ghosh; Ameerunisha Begum; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Iron(II)/(III) Complexes Containing N,S-Coordinated, Closed-Shello-Aminothiophenolato(1-) and o-Iminothiophenolato(2-) Ligands","Inorganic Chemistry","2003","42","","3208","3215","10.1021/ic020617c","","","0.71073","MoKα","","0.0751","0.0516","","0.103","0.0936","","","","1.048","1.076","1.076","","","","","has coordinates,has disorder","179196","2020-10-21","18:00:00",""
"4314532","51.547","0.01","26.188","0.005","19.705","0.004","90","","90","","90","","26600","9","173","2","173","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C127.5 H124.5 Co3 Cr2 N15.5 O4.5 P8 -","- C127.5 H124.5 Co3 Cr2 N15.5 O4.5 P8 -","- C1020 H996 Co24 Cr16 N124 O36 P64 -","8","","","Carolina Avendano; Ferdi Karadas; Matthew Hilfiger; Michael Shatruk; Kim R. Dunbar","Cyanide Lability and Linkage Isomerism of Hexacyanochromate(III) Induced by the Co(II) Ion","Inorganic Chemistry","2010","49","","583","594","10.1021/ic901681e","","","0.71073","MoKα","","0.1864","0.1255","","","0.2832","0.3477","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4314740","14.6642","0.0003","27.8763","0.0005","21.4233","0.0004","90","","90","","90","","8757.5","0.3","153","2","","","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C58 H72 N18 O20 Pd3 S2 -","- C58 H72 N18 O20 Pd3 S2 -","- C232 H288 N72 O80 Pd12 S8 -","4","","","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","","","0.0645","","","","0.1859","","","","","","1.111","","","","has coordinates,has disorder","179227","2020-10-21","18:00:00",""
"4316550","11.0858","0.0007","22.4539","0.0014","7.2261","0.0005","90","","90","","90","","1798.7","0.2","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C5 H3 Co N9 O -","- C5 H3 Co N9 O -","- C40 H24 Co8 N72 O8 -","8","","","Oindrila Sengupta; Partha Sarathi Mukherjee","Mixed Azide and 5-(Pyrimidyl)tetrazole Bridged Co(II)/Mn(II) Polymers: Synthesis, Crystal Structures, Ferroelectric and Magnetic Behavior","Inorganic Chemistry","2010","49","","8583","8590","10.1021/ic101213q","","","0.71073","MoKα","","0.0567","0.0352","","","0.0698","0.079","","","","","","1.017","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4316775","34.134","0.002","9.7662","0.0006","7.1209","0.0004","90","","90","","90","","2373.8","0.2","228","2","228","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C16 H18 K4 N2 O11 P2 -","- C16 H18 K4 N2 O11 P2 -","- C64 H72 K16 N8 O44 P8 -","4","","","Sylvie Pailloux; Cornel Edicome Shirima; Karen Ann Smith; Eileen N. Duesler; Robert T. Paine; Neil J. Williams; Robert D. Hancock","Synthesis and Reactivity of (Benzoxazol-2-ylmethyl)phosphonic Acid","Inorganic Chemistry","2010","49","","9369","9379","10.1021/ic101079b","","","0.71073","MoKα","","0.0208","0.0201","","","0.0467","0.047","","","","","","1.027","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4320645","25.6292","0.0002","25.4201","0.0003","29.1915","0.0002","90","","90","","90","","19018.2","0.3","173","2","173","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C132 H42 F80 Fe Mn12 O50 -","- C132 F80 Fe Mn12 O50 -","- C528 F320 Fe4 Mn48 O200 -","4","","","Takayoshi Kuroda-Sowa; Matthew Lam; Arnold L. Rheingold; Christoph Frommen; William M. Reiff; Motohiro Nakano; Jae Yoo; A. L. Maniero; Louis-Claude Brunel; George Christou; David N. Hendrickson","Effects of Paramagnetic Ferrocenium Cations on the Magnetic Properties of the Anionic Single-Molecule Magnet [Mn12O12(O2CC6F5)16(H2O)4]-","Inorganic Chemistry","2001","40","","6469","6480","10.1021/ic010547u","","","0.71073","MoKα","","0.152","0.1342","","","0.3373","0.3555","","","","","","2.753","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00",""
"4326591","17.6554","0.0004","41.9726","0.0009","11.4149","0.0003","90","","90","","90","","8458.9","0.3","110","","110","","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C47 H38 Cl6 Fe4 N -","- C47 H38 Cl6 Fe4 N -","- C376 H304 Cl48 Fe32 N8 -","8","","","Alexander Hildebrandt; Dieter Schaarschmidt; Ron Claus; Heinrich Lang","Influence of Electron Delocalization in Heterocyclic Core Systems on the Electrochemical Communication in 2,5-Di- and 2,3,4,5-Tetraferrocenyl Thiophenes, Furans, and Pyrroles","Inorganic Chemistry","2011","50","","10623","10632","10.1021/ic200926z","","","0.71073","MoKα","","0.0347","0.0313","","","0.0743","0.0751","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329048","23.127","0.005","24.574","0.005","19.6","0.005","90","","90","","90","","11139","4","153","2","153","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C43 H79.5 Fe2 Mn N8.5 O13 -","- C43 H79.5 Fe2.01 Mn0.99 N8.5 O13 -","- C344 H636 Fe16.08 Mn7.92 N68 O104 -","8","","","Galina M. Dulcevscaia; Irina G. Filippova; Manfred Speldrich; Jan van Leusen; Victor Ch. Kravtsov; Svetlana G. Baca; Paul Kögerler; Shi-Xia Liu; Silvio Decurtins","Cluster-Based Networks: 1D and 2D Coordination Polymers Based on {MnFe~2~(μ~3~-O)}-Type Clusters","Inorganic Chemistry","2012","51","","5110","5117","10.1021/ic202644t","","","0.71073","MoKα","","0.0867","0.062","","","0.1386","0.1516","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332086","20.7791","0.001","12.0944","0.0006","10.7761","0.0005","90","","90","","90","","2708.1","0.2","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- Co2 In2 O26 Rb6 Si9 -","- Co2 In2 O26 Rb6 Si9 -","- Co8 In8 O104 Rb24 Si36 -","4","","","Hung, Ling-I; Wang, Sue-Lein; Chen, Yen-Hung; Lii, Kwang-Hwa","Rb6(InCo)2(Si9O26): A Mixed-Metal Silicate Containing 20-Membered-Ring Silicate Single Layers with a Very Low Si:O Ratio","Inorganic Chemistry","2006","45","5","2100","2103","10.1021/ic052154r","","","0.71073","MoKα","","0.0235","0.0216","","","0.0465","0.0469","","","","","","0.961","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332207","17.5916","0.0014","18.8152","0.0015","21.6622","0.0018","90","","90","","90","","7170","1","213","2","213","2","","","","","","","","7","A b a 2","A 2 -2ab","41","[Ni2(TPG)4]BF4, 2CH2Cl2","","","- C78 H68 B Cl4 F4 N12 Ni2 -","- C78 H68 B Cl4 F4 N12 Ni2 -","- C312 H272 B4 Cl16 F16 N48 Ni8 -","4","","","Berry, John F.; Bothe, Eberhard; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino; Wang, Xiaoping","Metal−Metal Bonding in Mixed Valence Ni25+Complexes and Spectroscopic Evidence for a Ni26+Species","Inorganic Chemistry","2006","45","11","4396","4406","10.1021/ic060125q","","","0.71073","MoKα","","0.0705","0.0539","","","0.1452","0.1589","","","","","","1.148","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4333300","28.3414","0.0014","27.9995","0.0016","41.5819","0.0016","90","","90","","90","","32997","3","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C156 H206 As32 N46 O170 V54 Zn10 -","- C156 H198 As32 N46 O170 V54 Zn10 -","- C624 H792 As128 N184 O680 V216 Zn40 -","4","","","Zheng, Shou-Tian; Wang, Ming-Hui; Yang, Guo-Yu","In situ ligand reactions under hydrothermal conditions afford a novel zinc-substituted polyoxovanadate dimer.","Inorganic chemistry","2007","46","22","9503","9508","10.1021/ic700562m","","","0.71073","MoKα","","0.075","0.0644","","","0.1575","0.1692","","","","","","1.035","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333584","20.555","0.003","68.895","0.009","21.549","0.003","90","","90","","90","","30516","7","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C73 H133 Mn9 O35 -","- C73 H133 Mn9 O35 -","- C876 H1596 Mn108 O420 -","12","","","Shreya Mukherjee; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou","Comproportionation Reactions to Manganese(III/IV) Pivalate Clusters: A New Half-Integer Spin Single-Molecule Magnet","Inorganic Chemistry","2013","52","","873","884","10.1021/ic302021a","","","0.71073","MoKα","","0.0486","0.0388","","","0.0846","0.0884","","","","","","1.032","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4334484","14.7124","0.0006","15.6131","0.0007","17.1848","0.0007","90","","90","","90","","3947.5","0.3","110","2","110","2","","","","","","","","9","A b a 2","A 2 -2ab","41","","","","- C10 H27 Cl F6 N3 O2 P Ru S2 -","- C10 H27 Cl F6 N3 O2 P Ru S2 -","- C80 H216 Cl8 F48 N24 O16 P8 Ru8 S16 -","8","","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.71073","MoKα","","0.0239","0.0236","","","0.0588","0.059","","","","","","1.055","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4336625","35.7507","0.0007","16.3257","0.0003","13.1559","0.0003","90","","90","","90","","7678.5","0.3","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C78 H50 Ce N2 O18 -","- C78 H50 Ce N2 O18 -","- C312 H200 Ce4 N8 O72 -","4","","","Yan-Ping He; Yan-Xi Tan; Jian Zhang","Gas Sorption, Second-Order Nonlinear Optics, and Luminescence Properties of a Series of Lanthanide-Organic Frameworks Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Inorganic Chemistry","2013","52","","12758","12762","10.1021/ic4020256","","","1.54178","CuKα","","0.0597","0.0577","","","0.1555","0.1579","","","","","","1.044","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4338270","35.593","0.003","23.278","0.002","28.87","0.002","90","","90","","90","","23920","3","150","2","150","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C132 H162 Co2 Fe4 N24 Ni3 O32 -","- C132 H162 Co2 Fe4 N24 Ni3 O32 -","- C528 H648 Co8 Fe16 N96 Ni12 O128 -","4","","","Lytvynenko, A. S.; Kolotilov, S. V.; Kiskin, M. A.; Cador, O.; Golhen, S.; Aleksandrov, G. G.; Mishura, A. M.; Titov, V. E.; Ouahab, L.; Eremenko, I. L.; Novotortsev, V. M.","Redox-Active Porous Coordination Polymers Prepared by Trinuclear Heterometallic Pivalate Linking with the Redox-Active Nickel(II) Complex: Synthesis, Structure, Magnetic and Redox Properties, and Electrocatalytic Activity in Organic Compound Dehalogenation in Heterogeneous Medium.","Inorganic chemistry","2014","53","10","4970","4979","10.1021/ic403167m","","","0.71073","MoKα","","0.1279","0.0991","","","0.2793","0.2988","","","","","","1.09","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4343284","14.028","0.0004","29.3136","0.0008","7.3395","0.0002","90","","90","","90","","3018.08","0.14","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","Cobalt Carboxylate","","","- C15 H12.5 Co N2.5 O6 -","- C15 H12.5 Co N2.5 O6 -","- C120 H100 Co8 N20 O48 -","8","","","Singha, Debal Kanti; Mahata, Partha","Highly Selective and Sensitive Luminescence Turn-On-Based Sensing of Al(3+) Ions in Aqueous Medium Using a MOF with Free Functional Sites.","Inorganic chemistry","2015","54","13","6373","6379","10.1021/acs.inorgchem.5b00688","","","0.71073","MoKα","","0.0372","0.0319","","","0.0798","0.0948","","","","","","1.108","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4501048","11.512","0.002","11.456","0.002","7.1028","0.0015","90","","90","","90","","936.7","0.3","291","2","291","2","","","","","","","see text","3","A b a 2","A 2 -2ab","41","","(1s,6s)-11,13-dioxatricyclo[4.4.3.0^1,6^]trideca-3,8-dien-12-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","","","Mehta, Goverdhan; Sen, Saikat","Interesting Modes of Self-assembly of Achiral 12-Oxo-11,13-dioxa[4.4.3]propellanes in a Noncentrosymmetric Environment","Crystal Growth & Design","2011","11","9","3721","","10.1021/cg200665w","","","0.71073","MoKa","","0.0567","0.0495","","","0.1176","0.1216","","","","","","1.215","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502480","18.0934","0.0012","12.9305","0.0009","10.9566","0.0008","90","","90","","90","","2563.4","0.3","223","2","223","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H11 Ag N4 O4 -","- C12 H11 Ag N4 O4 -","- C96 H88 Ag8 N32 O32 -","8","","","Kundu, Nabanita; Audhya, Anandalok; Abtab, Sk Md Towsif; Ghosh, Sanjib; Tiekink, Edward R. T.; Chaudhury, Muktimoy","Anion-Controlled Assembly of Silver(I) Complexes of Multiring Heterocyclic Ligands: A Structural and Photophysical Study","Crystal Growth & Design","2010","10","3","1269","","10.1021/cg901288h","","","0.71069","MoKα","","0.04","0.031","","","0.063","0.066","","","","","","0.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503852","13.82","0.02","15.563","0.013","8.985","0.013","90","","90","","90","","1932","4","298","","298","","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C22 H18 F2 N2 O2 -","- C22 H18 F2 N2 O2 -","- C88 H72 F8 N8 O8 -","4","","","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","","0.0319","0.0294","","","0.1011","0.106","","","","","","0.886","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503853","17.8296","0.0017","7.4296","0.0007","13.5221","0.0013","90","","90","","90","","1791.2","0.3","90","","90","","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C22 H18 F2 N2 O2 -","- C22 H18 F2 N2 O2 -","- C88 H72 F8 N8 O8 -","4","","","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","","0.0325","0.0308","","","0.0555","0.0558","","","","","","2.39","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503855","28.459","0.003","8.9853","0.001","15.4982","0.0018","90","","90","","90","","3963.1","0.8","90","","90","","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C22.5 H19 Cl F2 N2 O2 -","- C22.5 H19 Cl F2 N2 O2 -","- C180 H152 Cl8 F16 N16 O16 -","8","","","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","","0.0598","0.0421","","","0.0836","0.0952","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504229","18.125","0.002","13.0397","0.0015","11.0126","0.0012","90","","90","","90","","2602.8","0.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H11 Ag N4 O4 -","- C12 H11 Ag N4 O4 -","- C96 H88 Ag8 N32 O32 -","8","","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.0272","0.0208","","","0.0517","0.0556","","","","","","1.002","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504272","15.4071","0.0012","20.45","0.002","9.9044","0.001","90","","90","","90","","3120.6","0.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C40 H22 Mn N8 O4 -","- C40 H22 Mn N8 O4 -","- C160 H88 Mn4 N32 O16 -","4","","","Wei, Yongqin; Yu, Yunfang; Wu, Kechen","Highly Stable Diamondoid Network Coordination Polymer [Mn(NCP)2]nwith Notable NLO, Magnetic, and Luminescence Properties","Crystal Growth & Design","2007","7","11","2262","","10.1021/cg070192a","","","0.71073","MoKα","","0.0598","0.0467","","","0.1106","0.1189","","","","","","0.975","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504735","13.8","0.007","6.999","0.004","9.992","0.005","90","","90","","90","","965.1","0.9","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","BPU","","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0358","0.0349","","","0.0909","0.0917","","","","","","1.083","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504801","13.707","0.003","7.014","0.0014","10.006","0.002","90","","90","","90","","962","0.3","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","1,3-bis(3-pyridyl)urea","1,3-bis(3-pyridyl)urea","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0498","0.0437","","","0.1021","0.1068","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505207","11.978","0.002","37.836","0.006","14.948","0.003","90","","90","","90","","6774","2","203","2","203","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C15 H26 Cl N3 -","- C15 H26 Cl N3 -","- C240 H416 Cl16 N48 -","16","","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.1401","0.068","","","0.1612","0.1952","","","","","","1.067","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505573","12.928","0.002","10.806","0.002","12.262","0.003","90","","90","","90","","1713","0.6","100","2","100","2","","","","","","","synthesis as described","5","A b a 2","A 2 -2ab","41","","poly-[dimethylammonium (mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') indate(III)]","","- C14 H12 In N5 O8 -","- C14 H12 In N5 O8 -","- C56 H48 In4 N20 O32 -","4","","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0379","0.0306","","","0.0723","0.0739","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507431","26.531","0.0004","29.2825","0.001","21.2848","0.0004","90","","90","","90","","16536","0.7","150","2","150","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C192 H144 Cu4 N28 O12 -","- C192 H144 Cu4 N28 O12 -","- C768 H576 Cu16 N112 O48 -","4","","","He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong","Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity","ACS Catalysis","2013","3","1","1","","10.1021/cs300640r","","","1.54178","CuKα","","0.1248","0.1044","","","0.2103","0.2221","","","","","","1.006","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4508601","19.562","0.0014","15.8621","0.0012","15.3525","0.0011","90","","90","","90","","4763.8","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C50 H50 N8 Ni O8 -","- C50 H50 N8 Ni O8 -","- C200 H200 N32 Ni4 O32 -","4","","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0311","0.0292","","","0.0757","0.0768","","","","","","1.078","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4509067","17.9653","0.0018","19.8784","0.0019","17.6947","0.0019","90","","90","","90","","6319.2","1.1","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C68 H42 Co5 N18 O5 -","- C68 H42 Co5 N18 O5 -","- C272 H168 Co20 N72 O20 -","4","","","Mo, Hao-Jun; Zhong, Yong-Rui; Cao, Man-Li; Ou, Yong-Cong; Ye, Bao-Hui","Hydrothermal Syntheses and Structural Diversity of Cobalt Complexes with 2,2′-Bibenzimidazole Ligand by Temperature Tuning Strategy","Crystal Growth & Design","2009","9","1","488","","10.1021/cg800747t","","","0.71073","MoKα","","0.0545","0.0465","","","0.1156","0.1221","","","","","","1.011","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509651","13.1383","0.0014","27.585","0.003","12.4518","0.0013","90","","90","","90","","4512.8","0.8","173","2","173","2","","","","","","","","5","A b a 2","A 2 -2ab","41","05280","","","- C23 H27 N4 O5 S -","- C23 H27 N4 O5 S -","- C184 H216 N32 O40 S8 -","8","","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0334","0.0308","","","0.0758","0.0773","","","","","","0.945","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509695","17.212","0.002","13.6942","0.0018","18.955","0.002","90","","90","","90","","4467.8","0.9","291","2","291","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H24 Cd N6 O5 -","- C16 H24 Cd N6 O5 -","- C128 H192 Cd8 N48 O40 -","8","","","Liang, Xiao-Qiang; Li, Dong-Ping; Zhou, Xin-Hui; Sui, Yan; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Metal−Organic Coordination Polymers Generated from Chiral Camphoric Acid and Flexible Ligands with Different Spacer Lengths: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","11","4872","","10.1021/cg900676x","","","0.71073","MoKα","","0.0693","0.0471","","","0.1098","0.1153","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510445","23.326","0.0006","32.24","0.002","9.8621","0.0014","90","","90","","90","","7416.6","1.2","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H41 Ag2 N10 O4 -","- C30 H41 Ag2 N10 O4 -","- C240 H328 Ag16 N80 O32 -","8","","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.0605","0.0474","","","0.1154","0.126","","","","","","1.055","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510446","22.712","0.005","34.599","0.008","9.858","0.002","90","","90","","90","","7747","3","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C31 H43 Ag2 N10 O4 -","- C31 H43 Ag2 N10 O4 -","- C248 H344 Ag16 N80 O32 -","8","","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1278","0.054","","","0.0945","0.1204","","","","","","0.969","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510551","14.5908","0.0006","9.3764","0.0004","10.3283","0.0003","90","","90","","90","","1413.01","0.09","295","2","295","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.0502","0.0368","","","0.0855","0.091","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511676","21.9763","0.001","10.4278","0.0004","10.7628","0.0004","90","","90","","90","","2466.45","0.17","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C9 H10 Cd N2 O6 -","- C9 H10 Cd N2 O6 -","- C72 H80 Cd8 N16 O48 -","8","","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0533","0.0376","","","0.0593","0.065","","","","","","0.998","","","","has coordinates","179663","2020-10-21","18:00:00",""
"6000550","21.1318","","11.2357","","6.0863","","90","","90","","90","","1445.07","","","","","","","","","","","","","3","A b a 2","","","","","","- C8 H15 N -","","","","","","Mora, A. J.; Fitch, A. N.","The low-temperature structures of bicyclo[3.3.1]nonan-9-one and 3-azabicyclo[3.2.2]nonane","Zeitschrift für Kristallographie","1999","214","8","480","485","10.1524/zkri.1999.214.8.480","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7001102","9.316","0.001","17.611","0.001","7.964","0.001","90","","90","","90","","1306.6","0.2","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","2,2-bipyridine-3,3,6,6-tetracarboxylic acid","2,2-bipyridine-3,3,6,6-tetracarboxylic acid","","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","- C56 H32 N8 O32 -","4","","","Dawid, Urszula; Pruchnik, Florian P.; Starosta, Radosław","Structure and properties of 2,2′-bipyridine-3,3′,6,6′-tetracarboxylic acid and its iron(II) and cobalt(II) complexes","Dalton Transactions","2009","","17","3348","3353","10.1039/b820474h","","","0.71073","MoKα","","0.0609","0.0419","","","0.0761","0.0794","","","","","","1.048","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7002871","16.589","0.003","17.758","0.003","18.439","0.003","90","","90","","90","","5431.9","1.6","291","2","291","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C62 H58 B2 N6 Ru -","- C62 H58 B2 N6 Ru -","- C248 H232 B8 N24 Ru4 -","4","","","Zhou, Yan; Xiao, Hong-Ping; Kang, Ling-Chen; Zuo, Jing-Lin; Li, Cheng-Hui; You, Xiao-Zeng","Synthesis and characterization of neutral iron(ii) and ruthenium(ii) complexes with the isocyanotriphenylborate ligand","Dalton Transactions","2009","","46","10256","10262","10.1039/b914262b","","","0.71073","MoKα","","0.154","0.0627","","","0.0753","0.0942","","","","","","0.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7003868","14.528","0.002","13.9928","0.0017","11.8948","0.0017","90","","90","","90","","2418.1","0.6","193","2","193","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C20 H42 Co N4 -","- C20 H42 Co N4 -","- C80 H168 Co4 N16 -","4","","","Li, Zhengwen; Lee, Don Kuen; Coulter, Michael; Rodriguez, Leonard N. J.; Gordon, Roy G.","Synthesis and characterization of volatile liquid cobalt amidinates","Dalton Transactions","2008","","19","2592","2597","10.1039/b800712h","","","0.71073","MoKα","","0.0376","0.036","","","0.0887","0.0898","","","","","","1.215","","","","has coordinates","179742","2020-10-21","18:00:00",""
"7005034","18.132","0.0008","18.8215","0.0007","23.11","0.0009","90","","90","","90","","7886.8","0.5","173","2","173","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C38 H60 N2 O2 Zn2 -","- C38 H60 N2 O2 Zn2 -","- C304 H480 N16 O16 Zn16 -","8","","","Doyle, David J.; Gibson, Vernon C.; White, Andrew J. P.","Synthesis and structures of bimetallic and polymeric zinc coordination compounds supported by salicylaldiminato and anilido-aldimine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","3","358","363","10.1039/b615080b","","","0.71073","MoKα","","0.0659","0.0632","","","0.1493","0.1517","","","","","","1.169","","","","has coordinates,has disorder","179754","2020-10-21","18:00:00",""
"7005206","22.37","0.003","15.246","0.002","17.26","0.003","90","","90","","90","","5886.6","1.5","150","2","150","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C48 H74 Cl2 Cu2 N12 O11 -","- C48 H72 Cl2 Cu2 N12 O11 -","- C192 H288 Cl8 Cu8 N48 O44 -","4","","","Derossi, Sofia; Farrell, David T.; Harding, Charles J.; McKee, Vickie; Nelson, Jane","N-methylation of macrobicycles reduces encapsulation ability.","Dalton transactions (Cambridge, England : 2003)","2007","","18","1762","1772","10.1039/B617907J","","","0.71073","MoKα","","0.1375","0.0944","","","0.2214","0.245","","","","","","1.14","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7006444","22.008","0.003","23.186","0.002","19.182","0.003","90","","90","","90","","9788","2","150","2","150","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C32 H82 Li2 O8 Si6 -","- C32 H82 Li2 O8 Si6 -","- C256 H656 Li16 O64 Si48 -","8","","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.; Smith, J. David; Eaborn, C.","Alkali metal complexes of sterically hindered mono- and di-carbanions containing Si-O bonds.","Dalton transactions (Cambridge, England : 2003)","2006","","3","502","508","10.1039/b510692c","","","0.71073","MoKα","","0.097","0.0586","","","0.1459","0.1695","","","","","","1.058","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7007668","12.0129","0.0003","20.2339","0.0004","11.7239","0.0002","90","","90","","90","","2849.7","0.1","150","2","150","2","","","","","","","synthesis as described","6","A b a 2","A 2 -2ab","41","","","","- C19 H30 Cl2 I2 P2 Se2 -","- C19 H30 Cl2 I2 P2 Se2 -","- C76 H120 Cl8 I8 P8 Se8 -","4","","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4795","4804","10.1039/b608453b","","x-ray","0.71073","MoKα","","0.0259","0.0233","","","0.0473","0.0481","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7008457","12.144","0.002","40.776","0.007","8.353","0.0015","90","","90","","90","","4136.3","1.2","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C48 H34 Cd N12 O2 -","- C48 H34 Cd N12 O2 -","- C192 H136 Cd4 N48 O8 -","4","","","Ye, Qiong; Tang, Yu-Zhi; Wang, Xi-Sen; Xiong, Ren-Gen","Strong enhancement of second-harmonic generation (SHG) response through multi-chiral centers and metal-coordination.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1570","1573","10.1039/b503039k","","","0.71073","MoKα","","0.0989","0.0693","","","0.1418","0.1524","","","","","","1.113","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7009127","15.905","0.003","22.848","0.005","18.904","0.004","90","","90","","90","","6870","2","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C31 H35 Cl0 O4.5 P2 Pd2 S4 -","- C31 H34 O4.5 P2 Pd2 S4 -","- C248 H272 O36 P16 Pd16 S32 -","8","","","Su, Weiping; Cao, Rong; Hong, Maochun; Wu, Daxu; Lu, Jiaxi","A new access to palladium‒phosphine chemistry. Formation of polynuclear palladium compounds via the oxidation of ligands in simple palladium(II) complexes","Journal of the Chemical Society, Dalton Transactions","2000","","9","1527","","10.1039/a908788e","","","0.71073","MoKα","","0.0587","0.0469","","0.0827","0.0795","","","","1.362","1.414","1.414","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012059","19.0505","0.0006","27.3517","0.0007","8.4738","0.0002","90","","90","","90","","4415.4","0.2","173","2","173","2","","","","","","","synthesis as described","6","A b a 2","A 2 -2ab","41","[Zn{N(SiMe3)2}{MesNPPh2CHPPh2NMes}]","","","- C44 H62 B2 Mo N2 O2 -","- C44 H62 B2 Mo N2 O2 -","- C176 H248 B8 Mo4 N8 O8 -","4","","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Transition-metal imido-boroxide complexes: a structural and spectroscopic investigation of the influence of boron","Journal of the Chemical Society, Dalton Transactions","2002","","22","4168","","10.1039/b207277g","","x-ray","0.71073","MoKα","","0.0609","0.0387","","","0.0795","0.0909","","","","","","1.034","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012756","8.919","0.003","10.889","0.002","8.593","0.003","90","","90","","90","","834.5","0.4","293","2","293","2","","","","","","","synthesis as described","4","A b a 2","A 2 -2ab","41","","","","- C4 H8 O8 V -","- C4 H8 O8 V -","- C16 H32 O32 V4 -","4","","","del Río, Diego; Galindo, Agustín; Vicente, Ramón; Mealli, Carlo; Ienco, Andrea; Masi, Dante","Synthesis, molecular structure and properties of oxo-vanadium(iv) complexes containing the oxydiacetate ligand","Dalton Transactions","2003","","9","1813","","10.1039/b300914a","","x-ray","0.71069","MoKα","","0.0245","0.0237","","","0.0652","0.0662","","","","","","0.925","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014778","29.37","0.005","20.178","0.003","10.3042","0.0017","90","","90","","90","","6106.6","1.7","150","2","150","2","","","","","","","","5","A b a 2","A 2 -2ab","41","[CNC-n-Bu]PdI (7b)","","","- C32 H36 I N5 Pd -","- C32 H36 I N5 Pd -","- C256 H288 I8 N40 Pd8 -","8","","","Cross, Warren B.; Daly, Christopher G.; Ackerman, Rachel L.; George, Ian R.; Singh, Kuldip","N-heterocyclic carbene tethered amido complexes of palladium and platinum.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","495","505","10.1039/c0dt01149e","","","0.71073","MoKα","","0.0594","0.0457","","","0.0751","0.079","","","","","","0.934","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7015079","22.2072","0.0007","13.016","0.0005","11.4239","0.0007","90","","90","","90","","3302.1","0.3","294","2","294","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C17 H14 N2 O6 Zn -","- C17 H14 N2 O6 Zn -","- C136 H112 N16 O48 Zn8 -","8","","","Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen","Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4527","4541","10.1039/c0dt00903b","","","0.71073","MoKα","","0.0487","0.0325","","","0.0672","0.0691","","","","","","1.001","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015155","14.768","0.002","27.394","0.003","4.882","0.0006","90","","90","","90","","1975","0.4","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H20 N6 Ni S4 -","- C16 H20 N6 Ni S4 -","- C64 H80 N24 Ni4 S16 -","4","","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0288","0.0261","","","0.0802","0.0815","","","","","","1.17","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7017740","28.632","0.004","31.254","0.005","16.142","0.002","90","","90","","90","","14445","4","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C90 H144 Cl14 Er8 N4 O13 -","- C90 H144 Cl14 Er8 N4 O13 -","- C360 H576 Cl56 Er32 N16 O52 -","4","","","Zhang, Jie; Zhang, Zhengxing; Chen, Zhenxia; Zhou, Xigeng","Oxidation and coupling of β-diketiminate ligand in lanthanide complexes: novel eight-nuclear lanthanide clusters with μ-, μ3-Cl, and μ4-O bridge.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","357","359","10.1039/c1dt11383f","","","0.71073","MoKα","","0.0417","0.0325","","","0.0717","0.0749","","","","","","0.962","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017741","28.668","0.006","31.282","0.006","16.199","0.003","90","","90","","90","","14527","5","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C90 H144 Cl14 Dy8 N4 O13 -","- C90 H144 Cl14 Dy8 N4 O13 -","- C360 H576 Cl56 Dy32 N16 O52 -","4","","","Zhang, Jie; Zhang, Zhengxing; Chen, Zhenxia; Zhou, Xigeng","Oxidation and coupling of β-diketiminate ligand in lanthanide complexes: novel eight-nuclear lanthanide clusters with μ-, μ3-Cl, and μ4-O bridge.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","357","359","10.1039/c1dt11383f","","","0.71073","MoKα","","0.08","0.049","","","0.1078","0.1174","","","","","","0.905","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017927","11.5115","0.0005","21.5421","0.001","26.6893","0.001","90","","90","","90","","6618.5","0.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C60 H60 Mn4 N14 O25 -","- C60 H60 Mn4 N14 O25 -","- C240 H240 Mn16 N56 O100 -","4","","","Zhang, Xiu-Mei; Wang, Yan-Qin; Li, Xiu-Bing; Gao, En-Qing","Manganese(ii) coordination polymers with mixed azide and pyridylbenzoate N-oxide ligands: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2026","2033","10.1039/c1dt11692d","","","0.71073","MoKα","","0.0794","0.0594","","","0.1665","0.1878","","","","","","1.04","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7021303","20.618","0.003","32.001","0.004","9.7898","0.0013","90","","90","","90","","6459.3","1.5","100","2","100","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C31 H22 Cl3 Cu2 N6 O2 S2 -","- C31 H22 Cl3 Cu2 N6 O2 S2 -","- C248 H176 Cl24 Cu16 N48 O16 S16 -","8","","","Majouga, Alexander G.; Beloglazkina, Elena K.; Moiseeva, Anna A.; Shilova, Olga V.; Manzheliy, Eugeniy A.; Lebedeva, Maria A.; Davies, E. Stephen; Khlobystov, Andrei N.; Zyk, Nikolay V.","Cleavage of the C-S bond with the formation of a binuclear copper complex with 2-thiolato-3-phenyl-5-(pyridine-2-ylmethylene)-3,5-dihydro-4H-imidazole-4-one. A new mimic of the active site of N2O reductase.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6290","6293","10.1039/c3dt50422k","","","0.71073","MoKα","","0.1357","0.0532","","","0.0715","0.0854","","","","","","0.769","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022753","19.559","0.005","14.772","0.005","8.378","0.005","90","0.005","90","0.005","90","0.005","2420.6","1.8","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H18 Co N2 O6 -","- C30 H18 Co N2 O6 -","- C120 H72 Co4 N8 O24 -","4","","","Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B.","Cobalt lawsone complexes: searching for new valence tautomers.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5462","5470","10.1039/c3dt32968b","","","1.5418","CuKα","","0.0373","0.0296","","","0.0685","0.0734","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022944","18.5171","0.0007","30.0858","0.0011","23.2151","0.001","90","","90","","90","","12933.2","0.9","100","1","100","1","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C111 H95.5 Cl8 Mn4 N26.5 O34 -","- C111 H95.5 Cl8 Mn4 N26.5 O26 -","- C444 H382 Cl32 Mn16 N106 O104 -","4","","","Wałęsa-Chorab, Monika; Kubicki, Maciej; Korabik, Maria; Patroniak, Violetta","Novel self-assembled supramolecular architectures of Mn(II) ions with a hybrid pyrazine-bipyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9746","9754","10.1039/c3dt50352f","","","0.7107","MoKα","","0.1682","0.1129","","","0.2786","0.3123","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7025162","12.398","0.003","18.807","0.004","10.325","0.002","90","","90","","90","","2407.5","0.9","110","2","110","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H24 Fe N6 O4 -","- C28 H24 Fe N6 O4 -","- C112 H96 Fe4 N24 O16 -","4","","","Zhang, Li; Xu, Guan-Cheng; Xu, Hong-Bin; Mereacre, Valeriu; Wang, Zhe-Ming; Powell, Annie K.; Gao, Song","Synthesis, magnetic and photomagnetic study of new iron(ii) spin-crossover complexes with N4O2 coordination sphere","Dalton Transactions","2010","39","20","4856","","10.1039/b925482j","","","0.71073","MoKα","","0.0437","0.0297","","","0.0631","0.0665","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025163","12.58","0.003","18.805","0.004","10.589","0.002","90","","90","","90","","2505","0.9","290","2","290","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H24 Fe N6 O4 -","- C28 H24 Fe N6 O4 -","- C112 H96 Fe4 N24 O16 -","4","","","Zhang, Li; Xu, Guan-Cheng; Xu, Hong-Bin; Mereacre, Valeriu; Wang, Zhe-Ming; Powell, Annie K.; Gao, Song","Synthesis, magnetic and photomagnetic study of new iron(ii) spin-crossover complexes with N4O2 coordination sphere","Dalton Transactions","2010","39","20","4856","","10.1039/b925482j","","","0.71073","MoKα","","0.1407","0.0445","","","0.0496","0.0598","","","","","","0.965","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025199","12.545","0.0007","19.9097","0.0008","11.9976","0.0008","90","","90","","90","","2996.6","0.3","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","(N,N,N',N'-tetramethylenediamine)-chloro-pentafluorophenyl-palladium(II)","","- C12 H16 Cl F5 N2 Pd -","- C12 H16 Cl F5 N2 Pd -","- C96 H128 Cl8 F40 N16 Pd8 -","8","","","Blank, Frederik; Scherer, Harald; Ruiz, José; Rodríguez, Venancio; Janiak, Christoph","Palladium(II) complexes with pentafluorophenyl ligands: structures, C6F5 fluxionality by 2D-NMR studies and pre-catalysts for the vinyl addition polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2010","39","15","3609","3619","10.1039/b925674a","","","0.71073","MoKα","","0.0344","0.0326","","","0.0753","0.0763","","","","","","1.081","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7025463","23.3019","0.0012","10.3977","0.0006","22.5974","0.0007","90","","90","","90","","5475","0.5","173","2","173","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C46 H50 Cr2 N8 O10 S8 -","- C46 H50 Cr2 N8 O10 S8 -","- C184 H200 Cr8 N32 O40 S32 -","4","","","Clément, Nicolas; Toussaint, Clément; Rogez, Guillaume; Loose, Claudia; Kortus, Jens; Brelot, Lydia; Choua, Sylvie; Dagorne, Samuel; Turek, Philippe; Welter, Richard","Novel Cr(III) dinuclear complexes supported by salicyloylhydrazono dithiolane and dithiane ligands: synthesis, stability, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","19","4579","4585","10.1039/c001057j","","","0.71073","MoKα","","0.1494","0.0618","","","0.1316","0.1735","","","","","","0.999","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7026692","21.8706","0.0004","14.4783","0.0003","16.9835","0.0003","90","","90","","90","","5377.81","0.18","100","2","100","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C56 H32 Cl9 F8 Ir2 N4 O4 -","- C56 H32 Cl9 F8 Ir2 N4 O4 -","- C224 H128 Cl36 F32 Ir8 N16 O16 -","4","","","Chen, Tsun-Ren; Lee, Hsiu-Pen; Chen, Jhy-Der; Chen, Kelvin H.-C.","An 18+δ iridium dimer releasing metalloradicals spontaneously.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9458","9461","10.1039/c0dt00605j","","x-ray","0.71073","MoKα","","0.0367","0.0317","","","0.0637","0.0647","","","","","","1.192","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026993","13.9609","0.0002","26.6259","0.0001","13.6371","0.0001","90","","90","","90","","5069.2","0.08","156","2","156","2","","","","","","","","4","A b a 2","A 2 -2ab","41","(o-xylylNC)AuCN","","","- C10 H9 Au N2 -","- C10 H9 Au N2 -","- C200 H180 Au20 N40 -","20","","","Ecken, Holger; Olmstead, Marilyn M.; Noll, Bruce C.; Attar, Saeed; Schlyer, Bruce; Balch, Alan L.","Effects of anions on the solid state structures of linear gold(I) complexes of the type (o-xylyl isocyanide)gold(I) (monoanion)","Journal of the Chemical Society, Dalton Transactions","1998","","22","3715","","10.1039/a805086d","","","0.71073","MoKα","","0.0601","0.0404","","","0.0978","0.1114","","","","","","1.072","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027526","13.862","0.002","15.622","0.002","19.794","0.003","90","","90","","90","","4286.4","1.1","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C39 H34 F12 N10 P2 Ru -","- C39 H34 F12 N10 P2 Ru -","- C156 H136 F48 N40 P8 Ru4 -","4","","","Fletcher, Nicholas C.; Robinson, Toby C.; Behrendt, Andreas; Jeffery, John C.; Reeves, Zoe R.; Ward, Michael D.","Structural, electrochemical and UV/VIS/NIR spectroelectrochemical properties of diastereomerically pure dinuclear ruthenium complexes based on the bridging ligand phenanthroline-5,6-diimine, and a mononuclear by-product with a peripheral isoimidazole group","Journal of the Chemical Society, Dalton Transactions","1999","","17","2999","","10.1039/a903556g","","","0.71073","MoKα","","0.0363","0.0295","","0.0802","0.078","","","","0.997","1.077","1.077","","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7034378","19.758","0.0005","9.6623","0.0002","14.9521","0.0004","90","","90","","90","","2854.47","0.12","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C6 H18 As Ce N4 S3 -","- C6 H18 As Ce N4 S3 -","- C48 H144 As8 Ce8 N32 S24 -","8","","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.031","0.029","","","0.0623","0.0634","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034379","19.7203","0.0005","9.6404","0.0002","14.9599","0.0004","90","","90","","90","","2844.05","0.12","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C6 H18 As N4 Pr S3 -","- C6 H18 As N4 Pr S3 -","- C48 H144 As8 N32 Pr8 S24 -","8","","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0338","0.0303","","","0.057","0.0596","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034380","19.648","0.004","9.625","0.003","14.947","0.003","90","","90","","90","","2826.7","1.2","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C6 H18 As N4 Nd S3 -","- C6 H18 As N4 Nd S3 -","- C48 H144 As8 N32 Nd8 S24 -","8","","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0194","0.0186","","","0.0399","0.0401","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034381","19.4659","0.0018","9.57","0.0009","14.7915","0.0014","90","","90","","90","","2755.5","0.4","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C6 H18 As N4 S3 Sm -","- C6 H18 As N4 S3 Sm -","- C48 H144 As8 N32 S24 Sm8 -","8","","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0225","0.0222","","","0.0538","0.054","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051339","14.286","0.003","16.187","0.003","14.162","0.003","90","","90","","90","","3274.9","1.1","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C6 H24 Br4 N4 O -","- C6 H23 Br4 N4 O -","- C48 H184 Br32 N32 O8 -","8","","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051340","15.091","0.003","16.774","0.003","15.06","0.003","90","","90","","90","","3812.2","1.3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C6 H24 I4 N4 O -","- C6 H23 I4 N4 O -","- C48 H184 I32 N32 O8 -","8","","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051399","12.458","0.003","6.37","0.002","12.557","0.003","90","","90","","90","","996.5","0.5","200","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C8 H8 O4 W -","- C8 H8 O4 W -","- C32 H32 O16 W4 -","4","","","","","New Journal of Chemistry","1999","","","","","10.1039/a808621d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7053076","19.554","0.004","14.761","0.003","8.3825","0.0016","90","","90","","90","","2419.5","0.8","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H18 Co N2 O6 -","- C30 H18 Co N2 O6 -","- C120 H72 Co4 N8 O24 -","4","","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.1456","0.0618","","","0.0944","0.1084","","","","","","1.008","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053080","19.6716","0.0011","14.8036","0.0008","8.3806","0.0005","90","","90","","90","","2440.5","0.2","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H18 N2 O6 Zn -","- C30 H18 N2 O6 Zn -","- C120 H72 N8 O24 Zn4 -","4","","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.0751","0.0421","","","0.0758","0.0875","","","","","","1.063","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053322","34.703","0.002","28.282","0.002","9.977","0.001","90","","90","","90","","9792.1","1.3","100","2","100","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C82.5 H10.5 F16 -","- C82.5 F16 -","- C660 F128 -","8","","","Gruzinskaya, Natalia I.; Silin, Andrey I.; Pimenova, Anna S.; Khavrel, Pavel A.; Markov, Vitaliy Yu.; Sidorov, Lev N.; Kemnitz, Erhard; Troyanov, Sergey I.","Synthesis and structure of cycloperfluoroalkylated derivatives of C70, C70(C2F4) and C70(C4F8)n, n = 1‒6","New Journal of Chemistry","2010","34","2","243","","10.1039/b9nj00444k","","","0.905","synchrotron","","0.2133","0.104","","","0.2591","0.2881","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053594","18.538","0.001","35.874","0.001","12.751","0.001","90","","90","","90","","8479.8","0.8","150","0.1","150","0.1","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C28 H24 Si -","- C28 H24 Si -","- C448 H384 Si16 -","16","","","Cortial, Guillaume; Le Goff, Xavier-Frederic; Bousquié, Magali; Boisson, Christophe; Le Floch, Pascal; Nief, François; Thuilliez, Julien","Neutral ansa-bis(fluorenyl)silane neodymium borohydrides: synthesis, structural study and behaviour as catalysts in butadiene‒ethylene copolymerisation","New Journal of Chemistry","2010","34","10","2290","","10.1039/c0nj00274g","","","0.71069","MoKα","","0.0683","0.0404","","","0.0884","0.1191","","","","","","1.062","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053627","25.391","0.004","19.896","0.005","7.556","0.004","90","","90","","90","","3817","2","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C160 H112 N32 O32 Zn8 -","8","","","Aijaz, Arshad; Lama, Prem; Sañudo, E. Carolina; Mishra, Rupali; Bharadwaj, Parimal K.","Coordination polymers of various architectures built with mixed imidazole/benzimidazole and carboxylate donor ligands and different metal ions: syntheses, structural features and magnetic properties","New Journal of Chemistry","2010","34","11","2502","","10.1039/c0nj00302f","","","0.71073","MoKα","","0.0435","0.0347","","","0.0758","0.0821","","","","","","0.996","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7054314","14.8343","0.0005","44.69","0.002","7.3614","0.0003","90","","90","","90","","4880.2","0.3","100","2","100","2","","","","","","","see text","5","A b a 2","A 2 -2ab","41","","","","- C48 H51 N4 O4 S2 -","- C48 H51 N4 O4 S2 -","- C192 H204 N16 O16 S8 -","4","","","N., Ahipa T.; Adhikari, Airody Vasudeva","2-Methoxypyridine derivatives: synthesis, liquid crystalline and photo-physical properties","New J. Chem.","2014","38","10","5018","","10.1039/C4NJ00911H","","x-ray","0.71073","MoKα","","0.1039","0.0844","","","0.2355","0.2599","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7100197","13.713","0.006","6.977","0.003","10.013","0.004","90","","90","","90","","957.9","0.7","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","","","Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar","First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents","Chemical Communications","2005","","","","","10.1039/b506941f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101347","19.7993","0.0014","27.5435","0.0018","7.6297","0.0008","90","","90","","90","","4160.8","0.6","193","2","193","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C42 H42 Mn2 O10 P2 -","- C42 H42 Mn2 O10 P2 -","- C168 H168 Mn8 O40 P8 -","4","","","Ch. Elschenbroich; Klaus Harms; Jorg Six","On a Novel Coordination Mode of Phosphinine C5H5P","Chemical Communications","2006","","32","","","10.1039/b606739e","","","0.71073","MoKα","","0.0929","0.0447","","","0.0789","0.0913","","","","","","0.846","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101418","9.778","0.0007","13.5482","0.001","9.4858","0.0008","90","","90","","90","","1256.62","0.17","180","2","180","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","","","David Spring; David T. Blackwell; David J. Fox; Xianbin Su.; Kiyotaka Tanaka","Copper Catalyzed Oxidation of Organozinc Halides","Chemical Communications","2006","","37","","","10.1039/b610218b","","","0.71073","MoKα","","0.0486","0.0389","","","0.0744","0.0786","","","","","","1.123","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101729","26.3713","0.0015","23.9207","0.0016","29.0728","0.0016","90","","90","","90","","18339.7","1.9","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C64.5 H120 In2 N Ni2 O27 -","- C64.5 H122 In2 N Ni2 O27 -","- C516 H976 In16 N8 Ni16 O216 -","8","","","Sañudo, E Carolina; Muryn, Christopher A; Helliwell, Madeleine A; Timco, Grigore A; Wernsdorfer, Wolfgang; Winpenny, Richard E P","Al, Ga and In heterometallic wheels and their by-products.","Chemical communications (Cambridge, England)","2007","","8","801","803","10.1039/b613877b","","","0.71073","MoKα","","0.0916","0.0773","","","0.2077","0.2255","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101994","34.826","0.007","35.777","0.007","16.575","0.003","90","","90","","90","","20652","7","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C135 H117 Mn Mo36 N27 O118 P2 -","- C135 H104 Mn Mo36 N27 O118 P2 -","- C540 H416 Mn4 Mo144 N108 O472 P8 -","4","","","Li, Yang-Guang; Dai, Li-Mei; Wang, Yong-Hui; Wang, Xin-Long; Wang, En-Bo; Su, Zhong-Min; Xu, Lin","A new molybdenum-oxide-based organic-inorganic hybrid framework templated by double-Keggin anions.","Chemical communications (Cambridge, England)","2007","","25","2593","2595","10.1039/b700511c","","","0.71073","MoKα","","0.0691","0.0465","","","0.0869","0.0943","","","","","","0.872","","","","has coordinates,has disorder","180121","2020-10-21","18:00:00",""
"7102385","21.0123","0.0004","21.0224","0.0003","38.6495","0.0006","90","","90","","90","","17072.6","0.5","100","","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C87 H103 O4.5 Ti2 -","- C86 H88 O4.5 Ti2 -","- C688 H704 O36 Ti16 -","8","","","Petrella, Antonella J; Roberts, Nicholas K; Craig, Donald C; Raston, Colin L; Lamb, Robert N","Selective 1,3-complexation of p-(t)Bu-calix[4]arene by [TiCp(2)Me(2)].","Chemical communications (Cambridge, England)","2004","","1","64","65","10.1039/b309455c","","","0.71073","MoKα","","","0.119","","","","0.159","","","","","","2.16","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7109152","10.2336","0.0015","14.137","0.002","11.2663","0.0017","90","","90","","90","","1629.9","0.4","200","2","200","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C18 H12 Be N2 O2 S2 -","- C18 H12 Be N2 O2 S2 -","- C72 H48 Be4 N8 O8 S8 -","4","","","Chan Seok Oh; Chil Won Lee; Jun Yeob Lee","Simple heteroatom engineering for tuning the triplet energy of organometallic host materials for red, green and blue phosphorescent organic light-emitting diodes","Chem.Commun.","2013","49","","3875","","10.1039/c3cc40629f","","","0.71073","MoKα","","0.0603","0.0455","","","0.1338","0.2027","","","","","","1.232","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109556","31.8747","0.0006","21.7074","0.0005","9.5693","0.0002","90","","90","","90","","6621.2","0.2","223","2","223","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C38 H26 B F10 P -","- C38 H26 B F10 P -","- C304 H208 B8 F80 P8 -","8","","","Olga Ekkert; Ottmar Tuschewitzki; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reaction of strongly electrophilic alkenylboranes with phosphanylalkynes: rare examples of intermolecular 1,1-alkenylboration reactions","Chem.Commun.","2013","49","","6992","","10.1039/c3cc43294g","","","1.54178","CuKα","","0.0369","0.0339","","","0.0864","0.089","","","","","","1.05","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109919","30.6554","0.0013","15.1602","0.0009","8.7821","0.001","90","","90","","90","","4081.4","0.6","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C168 H160 O40 -","8","","","Yu-Ying Ye; Ping-Xin Zhou; Jian-Yi Luo; Mei-Jin Zhong; Yong-Min Liang","Palladium-catalyzed insertion of alpha,beta-unsaturated N-tosylhydrazones and trapping with carbon nucleophiles","Chem.Commun.","2013","49","","10190","","10.1039/c3cc45583a","","","0.7107","MoKα","","0.0715","0.0603","","","0.1786","0.1883","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110474","15.334","0.003","18.203","0.004","8.414","0.002","90","","90","","90","","2348.6","0.9","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C13 H11 N2 O2 -","- C13 H11 N2 O2 -","- C104 H88 N16 O16 -","8","","","Reznikov, Vladimir A.; Pervukhina, Natalia V.; Ikorskii, Vladimir N.; Ovcharenko, Victor I.; Ovcharenko, Ivan V.; Grand, Andre","Persistent vinylnitroxides","Chemical Communications","1999","","6","539","","10.1039/a900733d","","","0.71069","MoKα","","0.0482","0.0204","","","0.0251","0.0306","","","","","","0.506","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110586","8.263","0.002","20.426","0.004","11.556","0.002","90","","90","","90","","1950.4","0.7","150","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","para-bromotetrafluorophenyl-1,2,3,5-dithiadiazolyl","4-(4'-bromo-2',3',5',6'-tetrafluorophenyl)-1,2,3,5-dithiadiazolyl","","- C7 Br F4 N2 S2 -","- C7 Br F4 N2 S2 -","- C56 Br8 F32 N16 S16 -","8","","","Antorrena, Guillermo; Palacio, Fernando; Davies, John E.; Hartley, Matthew; Rawson, Jeremy M.; Smith, J.Nicholas B.; Steiner, Alexander","A novel paramagnetic dithiadiazolyl radical: Crystal structure and magnetic properties of p-BrC6F4CNSSN•","Chemical Communications","1999","","15","1393","","10.1039/a903771c","","","0.71073","MoKα","","0.1328","0.0643","","","0.1173","0.1428","","","","","","1.026","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7111518","19.655","0.004","20.326","0.004","16.036","0.003","90","","90","","90","","6407","2","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C34 H56 O2 -","- C34 H56 O2 -","- C272 H448 O16 -","8","","","Luo, Qian; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","CuCl-mediated tandem CO insertion and annulation of 1,4-dilithio-1,3-dienes: formation of multiply substituted cyclopentadienones and/or their head-to-head dimers","Chemical Communications","2008","","13","1593","1595","10.1039/b719007g","","","0.71073","MoKα","","0.128","0.0527","","","0.1108","0.121","","","","","","0.985","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7115012","13.7801","0.0014","23.792","0.002","14.665","0.002","90","","90","","90","","4808","0.9","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","[Me2NN]Cu(ethylene) + 0.5 pentane","","","- C25.5 H35 Cu N2 -","- C25.5 H35 Cu N2 -","- C204 H280 Cu8 N16 -","8","","","Dai, Xuliang; Warren, Timothy H.","Dioxygen activation by a neutral β-diketiminato copper(i) ethylene complex","Chemical Communications","2001","","19","1998","","10.1039/b105244f","","","0.71073","MoKα","","0.0363","0.0288","","","0.0721","0.0759","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115384","17.654","0.003","54.092","0.009","9.5502","0.0016","90","","90","","90","","9120","3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H26 Dy N5 O13 -","- C28 H26 Dy N5 O13 -","- C336 H312 Dy12 N60 O156 -","12","","","Apoorva Upadhyay; Saurabh Kumar Singh; Chinmoy Das; Ranajit Mondol; Stuart K. Langley; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam","Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion","Chem.Commun.","2014","50","","8838","","10.1039/C4cc02094D","","","0.71075","MoKα","","0.0628","0.0494","","","0.0941","0.1015","","","","","","1.067","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7116449","28.621","0.007","26.533","0.008","9.756","0.003","90","","90","","90","","7409","4","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C34 H34 N2 O4 S4 -","- C34 H34 N2 O4 S4 -","- C272 H272 N16 O32 S32 -","8","","","Yu Jiang; Xiang-Ying Tang; Min Shi","A Rh-catalyzed 1,2-sulfur migration/aza-Diels-Alder cascade initiated by aza-vinyl carbenoids from sulfur-tethered N-sulfonyl-1,2,3-triazoles","Chem.Commun.","2015","51","","2122","","10.1039/C4cc08829H","","","0.71073","MoKα","","0.2146","0.0887","","","0.1676","0.1994","","","","","","0.882","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116868","17.572","0.005","54.043","0.016","9.58","0.003","90","","90","","90","","9098","5","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H26 Er N5 O13 -","- C28 H26 Er N5 O13 -","- C336 H312 Er12 N60 O156 -","12","","","Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran","Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study","Chemical Communications (Cambridge, United Kingdom)","2015","51","28","6137","6140","10.1039/c4cc09523e","","","0.71075","MoKα","","0.094","0.083","","","0.1851","0.1964","","","","","","1.135","","","","has coordinates,has disorder","210899","2020-10-21","18:00:00",""
"7116869","17.439","0.003","54.451","0.011","9.5702","0.0019","90","","90","","90","","9088","3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H26 Lu N5 O13 -","- C28 H26 Lu N5 O13 -","- C336 H312 Lu12 N60 O156 -","12","","","Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran","Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study","Chemical Communications (Cambridge, United Kingdom)","2015","51","28","6137","6140","10.1039/c4cc09523e","","","0.71075","MoKα","","0.0511","0.0446","","","0.0777","0.0807","","","","","","1.077","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"7150869","31.624","0.004","15.1613","0.0014","9.1559","0.0014","90","","90","","90","","4389.9","1","108","2","108","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C11 H17 B O2 -","- C11 H17 B O2 -","- C176 H272 B16 O32 -","16","","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.0502","0.0406","","","0.0989","0.1014","","","","","","1.076","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7152575","25.438","0.002","10.671","0.0005","7.125","0.0002","90","","90","","90","","1934.07","0.19","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","(meso)1-methyl-2,5-diphenethylpyrrolidin-1-ium chloride","","- C21 H28 Cl N -","- C21 H28 Cl N -","- C84 H112 Cl4 N4 -","4","","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","1.54187","CuKα","","0.0718","0.0544","","","0.1467","0.1763","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152659","17.79","0.004","20.166","0.004","6.7371","0.0013","90","","90","","90","","2417","0.9","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C13 H6 F3 N3 S -","- C13 H6 F2.97 N3 S -","- C104 H48 F23.76 N24 S8 -","8","","","Zhang, Xinhai; Jia, Jiong; Ma, Chen","A one-pot regioselective synthesis of benzo[d]imidazo[2,1-b]thiazoles.","Organic & biomolecular chemistry","2012","10","39","7944","7948","10.1039/c2ob26211h","","","0.71073","MoKα","","0.045","0.0317","","","0.076","0.0841","","","","","","1.038","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7153062","32.8531","0.0004","32.0553","0.0006","21.088","0.0003","90","","90","","90","","22208.1","0.6","150","2","150","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C56 H88 Cu4 Fe2 N4 P4 S4 -","- C56 H88 Cu4 Fe2 N4 P4 S4 -","- C672 H1056 Cu48 Fe24 N48 P48 S48 -","12","","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12849","12852","10.1039/c3dt51196k","","","0.71073","MoKα","","0.0772","0.0466","","","0.1012","0.1225","","","","","","1.093","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153063","32.822","0.003","32.088","0.002","21.1255","0.0009","90","","90","","90","","22249","3","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C56 H88 Cu4 Fe2 N4 P4 S4 -","- C56 H88 Cu4 Fe2 N4 P4 S4 -","- C672 H1056 Cu48 Fe24 N48 P48 S48 -","12","","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12849","12852","10.1039/c3dt51196k","","","0.71073","MoKα","","0.0913","0.0755","","","0.1298","0.1365","","","","","","1.119","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153800","13.772","0.0012","27.468","0.002","13.3251","0.0013","90","","90","","90","","5040.7","0.8","298","2","298","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C28 H28 N3 O2 -","- C28 H28 N3 O2 -","- C224 H224 N24 O16 -","8","","","Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming","DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.","Organic & biomolecular chemistry","2014","12","26","4628","4632","10.1039/c4ob00012a","","","0.71073","MoKα","","0.1451","0.0729","","","0.1624","0.1812","","","","","","1.099","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7154181","53.5172","0.0016","17.0124","0.0006","7.5768","0.0002","90","","90","","90","","6898.3","0.4","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1-{2-[(2,4-Dimethylphenyl)amino]-5-[(2-hydroxyphenyl)carbonyl]furan-3-yl}ethan-1-one","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C336 H304 N16 O64 -","16","","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0575","0.0422","","","0.0819","0.0886","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200497","20.144","0.002","16.6614","0.0017","10.5603","0.0011","90","","90","","90","","3544.3","0.6","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C30 H28 Cu N6 O8 S6 -","- C30 H24 Cu N6 O8 S6 -","- C120 H96 Cu4 N24 O32 S24 -","4","","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.1314","0.0497","","","0.0665","0.0794","","","","","","0.774","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200705","12.9497","0.0008","41.02","0.003","8.8874","0.0005","90","","90","","90","","4721","0.5","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C39 H48 Cl4 N12 O4 Zn2 -","- C39 H47 Cl4 N12 O4 Zn2 -","- C156 H188 Cl16 N48 O16 Zn8 -","4","","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.0891","0.0475","","","0.0968","0.1129","","","","","","1.011","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200706","12.965","0.003","40.535","0.008","8.8052","0.0018","90","","90","","90","","4627.5","1.7","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H50 Cl4 N12 O4 Zn2 -","- C40 H50 Cl4 N12 O4 Zn2 -","- C160 H200 Cl16 N48 O16 Zn8 -","4","","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.1439","0.0525","","","0.1111","0.1485","","","","","","0.739","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7201691","15.4037","0.0003","13.4121","0.0002","13.2831","0.0002","90","","90","","90","","2744.23","0.08","100","2","100","2","","","","","","","synthesis as described","4","A b a 2","A 2 -2ab","41","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.0417","0.0373","","","0.0992","0.105","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201896","17.076","0.01","16.577","0.009","11.809","0.007","90","","90","","90","","3343","3","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H17 Cd N3 O4 -","- C16 H17 Cd N3 O4 -","- C128 H136 Cd8 N24 O32 -","8","","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0696","0.045","","","0.0983","0.108","","","","","","1.055","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7202281","16.846","0.01","16.926","0.01","11.193","0.007","90","","90","","90","","3192","3","173","2","173","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C15 H13 N3 O4 Zn -","- C15 H13 N3 O4 Zn -","- C120 H104 N24 O32 Zn8 -","8","","","Brown, Kyalamboka A.; Martin, David P.; LaDuca, Robert L.","An acentric parallel interpenetrated dual-ligand zinc coordination polymer from an in situ terminal-to-internal alkene rearrangement","CrystEngComm","2008","10","10","1305","","10.1039/b809255a","","","0.71073","MoKα","","0.0604","0.0391","","","0.0982","0.1081","","","","","","1.058","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202870","12.598","0.004","18.483","0.006","10.818","0.004","90","","90","","90","","2519","1.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H24 N6 O4 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.1166","0.0512","","","0.0691","0.0788","","","","","","0.889","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7205428","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.0508","0.0397","","","0.105","0.1128","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205429","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","neutron","0.7","Neutron","","0.0416","0.0318","","","0.0586","0.0619","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205571","13.1747","0.001","27.939","0.002","12.1826","0.001","90","","90","","90","","4484.3","0.6","200","2","200","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C17 H30 N4 O5 S -","- C17 H30 N4 O5 S -","- C136 H240 N32 O40 S8 -","8","","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0418","0.0371","","","0.1042","0.1096","","","","","","1.048","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7206818","14.687","0.005","18.524","0.005","16.622","0.005","90","0.005","90","0.005","90","0.005","4522","2","200","2","200","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C41 H28 N4 O8 Zn2 -","- C41 H28 N4 O8 Zn2 -","- C164 H112 N16 O32 Zn8 -","4","","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.049","0.0425","","","0.1106","0.1159","","","","","","1.04","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206903","19.562","0.0014","15.8621","0.0012","15.3525","0.0011","90","","90","","90","","4763.8","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C50 H50 N8 Ni O8 -","- C50 H50 N8 Ni O8 -","- C200 H200 N32 Ni4 O32 -","4","","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0311","0.0292","","","0.0757","0.0768","","","","","","1.078","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207302","15.4598","0.0016","10.805","0.0011","9.9452","0.0011","90","","90","","90","","1661.3","0.3","296","2","296","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- B2 O7 Pb4 -","- B2 O7 Pb4 -","- B16 O56 Pb32 -","8","","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Zhao, Wenwu; Zhang, Fangfang; Li, Hongyi; Yang, Zhihua","A new congruent-melting oxyborate, Pb4O(BO3)2 with optimally aligned BO3 triangles adopting layered-type arrangement","Journal of Materials Chemistry","2012","22","5","2105","","10.1039/c1jm14590h","","","0.71073","MoKα","","0.0329","0.0301","","","0.0695","0.0712","","","","","","1.064","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207331","12.2275","0.0007","21.7867","0.0013","7.0262","0.0004","90","","90","","90","","1871.76","0.19","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C14 H12 Ag2 N8 S2 -","- C14 H12 Ag2 N8 S2 -","- C56 H48 Ag8 N32 S8 -","4","","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0247","0.0228","","","0.0537","0.0551","","","","","","1.06","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7208721","11.4027","0.0003","23.4885","0.0006","22.6238","0.0005","90","","90","","90","","6059.4","0.3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C64 H60 N8 Ni O3 -","- C64 H60 N8 Ni O3 -","- C256 H240 N32 Ni4 O12 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0642","0.0489","","","0.1211","0.125","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208722","11.6264","0.0002","24.3482","0.0003","22.2375","0.0003","90","","90","","90","","6295.03","0.16","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C68 H68 Cl4 N8 Ni2 O2 -","- C68 H68 Cl4 N8 Ni2 O2 -","- C272 H272 Cl16 N32 Ni8 O8 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0452","0.0372","","","0.0908","0.093","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208723","11.4808","0.0002","23.4663","0.0004","22.5673","0.0004","90","","90","","90","","6079.9","0.18","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C64 H62.8 Br2 N8 Ni O3.4 -","- C64 H56 Br2 N8 Ni O3.4 -","- C256 H224 Br8 N32 Ni4 O13.6 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0933","0.078","","","0.2007","0.2135","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208728","23.8271","0.0007","11.3058","0.0004","23.1922","0.0008","90","","90","","90","","6247.6","0.4","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C66 H61.6 I2 N8 Ni O2.8 -","- C66 H60 I2 N8 Ni O2.8 -","- C264 H240 I8 N32 Ni4 O11.2 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0463","0.0423","","","0.1158","0.1183","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209324","8.3799","0.0019","19.526","0.004","10.357","0.002","90","","90","","90","","1694.7","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H8 Cd N10 S2 -","- C12 H8 Cd N10 S2 -","- C48 H32 Cd4 N40 S8 -","4","","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.031","0.0238","","","0.0546","0.0579","","","","","","1.008","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7210104","9.3707","0.0019","12.181","0.002","9.1857","0.0018","90","","90","","90","","1048.5","0.3","113","2","113","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C6 H8 Mn N10 O2 -","- C6 H8 Mn N10 O2 -","- C24 H32 Mn4 N40 O8 -","4","","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0731","0.0705","","","0.1862","0.1888","","","","","","1.303","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7211734","17.581","0.002","27.365","0.003","8.8889","0.0011","90","","90","","90","","4276.5","0.9","291","2","291","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H38 Mn2 N4 O16 S -","- C40 H38 Mn2 N4 O16 S -","- C160 H152 Mn8 N16 O64 S4 -","4","","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0609","0.0523","","","0.1435","0.1514","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7212422","29.812","0.006","9.6688","0.0019","18.052","0.004","90","","90","","90","","5203.4","1.9","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C27 H28 N2 O6 Zn -","- C27 H28 N2 O6 Zn -","- C216 H224 N16 O48 Zn8 -","8","","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.0659","0.0412","","","0.0746","0.0828","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213938","26.4776","0.0012","16.8267","0.0011","27.5248","0.0011","90","","90","","90","","12263.1","1.1","296","2","296","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C96 H66 As8 Cu4 N16 O43 V14 -","- C96 H64 As8 Cu4 N16 O43 V14 -","- C384 H256 As32 Cu16 N64 O172 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.0894","0.0558","","","0.1337","0.1519","","","","","","0.998","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7215020","23.501","0.005","10.181","0.002","10.334","0.002","90","","90","","90","","2472.6","0.9","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C18 H23 Co2 N5 O13 -","- C18 H23 Co2 N5 O13 -","- C72 H92 Co8 N20 O52 -","4","","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0468","0.0435","","","0.0747","0.0758","","","","","","1.059","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215302","15.573","0.002","19.416","0.003","19.664","0.003","90","","90","","90","","5945.7","1.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30.8 H37.8 Cd N6.2 O6.2 -","- C22 H18 Cd N4 O4 -","- C176 H144 Cd8 N32 O32 -","8","","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0665","0.0451","","","0.0785","0.084","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216398","27.317","0.003","22.2583","0.0014","6.9575","0.0005","90","","90","","90","","4230.4","0.6","150","2","150","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C19 H19 Cl3 Cu N2 O4 -","- C19 H19 Cl3 Cu N2 O4 -","- C152 H152 Cl24 Cu8 N16 O32 -","8","","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0766","0.0596","","","0.1213","0.131","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7222752","14.069","","6.744","","5.309","","90","","90","","90","","503.725","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","Se2 Br2","","- Br2 Se2 -","- Br2 Se2 -","- Br8 Se8 -","4","","","Kniep, R.; Korte, L.; Mootz, D.","Kristallstrukturen von Verbindungen A2 X2 (A= S,Se; X= Cl,Br)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1983","38","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","164649","2020-10-21","18:00:00",""
"7222753","13.49","","6.788","","5.245","","90","","90","","90","","480.285","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","S2 Br2","","- Br2 S2 -","- Br2 S2 -","- Br8 S8 -","4","","","Kniep, R.; Korte, L.; Mootz, D.","Kristallstrukturen von Verbindungen A2 X2 (A= S,Se; X= Cl,Br)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1983","38","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","164652","2020-10-21","18:00:00",""
"8000073","12.546","0.001","25.351","0.004","11.584","0.002","89","","90","","89","","3684.3","0.9","296.2","","","","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C32 H40 Cl2 N6 O11 Tc -","- C32 H40 Cl2 N6 O11 Tc -","- C128 H160 Cl8 N24 O44 Tc4 -","4","","","Takashi Yoshimura; Masanori Kawai; Tsutomu Takayama; Tsutomu Sekine; Hiroshi Kudo; Atsushi Shinohara","A Novel Seven-coordinate Technetium(IV) Complex: Synthesis and Characterization of [TcO(tpen)]2+ (tpen \δb N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine)","Chemistry Letters","2005","34","12","1624","","10.1246/cl.2005.1624","","","0.7107","MoKα","","","0.0427","","","","0.1377","","","","","","1.063","","","","has coordinates","189096","2020-10-21","18:00:00",""
"8101952","8.544","0.007","19.679","0.016","9.117","0.007","90","","90","","90","","1533","2","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","dimethylammonium bis(salicylato)borate","","- C16 H16 B N O6 -","- C16 H16 B N O6 -","- C64 H64 B4 N4 O24 -","4","","","Li, P.; Liu, Z.-H.","Crystal structure of dimethylammonium bis(salicylato)borate, [NH~2~ (CH~3~)~2~][BO~4~(C~7~H~4~O)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","179","180","","","","0.71073","MoKα","","0.1095","0.0518","","","0.1117","0.136","","","","","","1.001","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103174","7.2178","0.0014","36.6","0.007","9.1878","0.0018","90","","90","","90","","2427.2","0.8","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","4-phenylbutylammonium dihydrogenphosphate","","- C10 H18 N O4 P -","- C10 H18 N O4 P -","- C80 H144 N8 O32 P8 -","8","","","Jaeun Kang; Kyungna Jung; Jeesun Ahn; Yeonsun Jung; Seonhong Kim; Yumi Lee; Hoseop Yun; Junghwan Do","Crystal structure of 4-phenylbutylammonium dihydrogen phosphate, [C6H5(CH2)4NH3)](H2PO4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","423","","","","","0.71073","MoKα","","0.0528","0.0434","","","0.0996","0.1049","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8104093","7.4405","","23.713","","13.522","","90","","90","","90","","2385.77","","","","","","","","","","","","","3","A b a 2","A 2 -2ab","41","","Hg2 (Te2 O7)","","- Hg2 O7 Te2 -","- Hg2 O7 Te2 -","- Hg32 O112 Te32 -","16","","","Weil, M.","Dimorphism in mercury(II) tellurite(IV) tellurate(VI): preparation and crystal structures of alpha- and beta- (Hg2 Te2 O7)","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","691","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","164095","2020-10-21","18:00:00",""