# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T12:42:47+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P c a 21' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1008257","8.846","0.003","8.378","0.003","7.241","0.003","90","","90","","90","","536.6","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Urea antimony(III) fluoride","","- C H4 F3 N2 O Sb -","- C H4 F3 N2 O Sb -","- C4 H16 F12 N8 O4 Sb4 -","4","1","","Bourgault, M; Fourcade, R; Ducourant, B; Mascherpa, G","Structure cristalline de (N H~2~)~2~ C O, Sb F~3~","Revue de Chimie Minerale","1979","16","","151","156","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1009039","8.984","0.002","7.918","0.002","10.139","0.008","90","","90","","90","","721.2","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Cobalt hydrogenphosphate(III) hydrate","","- Co H3 O4 P -","- Co H5 O4 P -","- Co8 H40 O32 P8 -","8","2","","Sapina, F; Gomez-Romero, P; Marcos, M D; Amoros, P; Ibanez, R; Beltran, D; Navarro, R; Rillo, C; Lera, F","Two new cobalt(II) compounds exhibiting weak ferromagnetism: magnetic susceptibility study of Co H P O3 . H2 O and Co Cl (H2 P O2) . (H2 O) and crystal structure of Co H P O3 . H2 O","European Journal of Solid State Inorganic Chemistry","1989","26","","603","617","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010203","8.38","0.02","5.97","0.02","8.41","0.02","90","","90","","90","","420.7","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Potassium dioxodifluoroiodate","","- F2 I K O2 -","- F2 I K O2 -","- F8 I4 K4 O8 -","4","1","","Helmholz, L; Rogers, M T","The Crystal Structure of Potassium Fluoroiodate, K I O~2~ F~2~","Journal of the American Chemical Society","1940","62","","1537","1542","10.1021/ja01863a058","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011295","10.721","","5.243","","6.44","","90","","90","","90","","362","","","","","","","","","","","","synthetic from solution at 346 K","4","P c a 21","P 2c -2ac","29","","Sodium carbonate hydrate","Thermonatrite","- C H2 Na2 O4 -","- C H2 Na2 O4 -","- C4 H8 Na8 O16 -","4","1","","Harper, J P","Crystal structure of sodium carbonate monohydrate, Na2 C O3 H2 O","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1100195","20.449","0.002","12.7631","0.0012","16.5388","0.0015","90","","90","","90","","4316.5","","","","208","","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis(tris(1,2-Dimethoxyethane-O,O')-lithium) bis(μ~2~-chloro)-(μ~2~-oxo)-dich loro-tetraoxo-di-molybdenum","","- C24 H60 Cl4 Li2 Mo2 O17 -","- C24 H60 Cl4 Li2 Mo2 O17 -","- C96 H240 Cl16 Li8 Mo8 O68 -","4","1","","K.Harms; M.Marsch","","Private Communication","2000","","","","","","","","","","","","6.76","","","6.76","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100393","12.21","0.006","14.075","0.004","21.393","0.006","90","","90","","90","","3676.51","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H35 Cl7 N3 P3 Ti2 -","- C25 H33 Cl8 N3 P3 Ti2 -","- C100 H132 Cl32 N12 P12 Ti8 -","4","1","","Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G.","Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","10","1741","1749","10.1002/zaac.19946201014","","","","","","","","","","","","","","","","","","","","","has coordinates","177941","2020-10-21","18:00:00",""
"1100446","12.99","0.01","11.579","0.001","12.653","0.001","90","","90","","90","","1903.15","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H30 Cl2 N2 P2 S -","- C12 H30 Cl2 N2 P2 S -","- C48 H120 Cl8 N8 P8 S4 -","4","1","","Kunkel, F.; Harms, K.; Kang, H.-C.; Massa, W.; Dehnicke, K.","Phosphaniminato-Komplexe des Schwefels. Kristallstrukturen von [S(NPEt~3~)~3~]Cl, [S(NPEt~3~)~2~]Cl~2~ und [Me~3~SiOSO~2~NPPh~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","962","966","10.1002/zaac.199762301150","","","","","","","","","","","","","","","","","","","","","has coordinates","177948","2020-10-21","18:00:00",""
"1100454","13.732","0.006","7.622","0.003","19.515","0.008","90","","90","","90","","2042.54","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H29 Cl2 N Sn3 -","- C9 H29 Cl2 N Sn3 -","- C36 H116 Cl8 N4 Sn12 -","4","1","","Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U.","Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","676","682","10.1002/zaac.199762301107","","","","","","","","","","","","","","","","","","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1100803","18.2636","0.0011","9.3501","0.0004","9.2895","0.0004","90","","90","","90","","1586.34","0.14","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H23 Cl N2 O Pd -","- C13 H23 Cl N2 O Pd -","- C52 H92 Cl4 N8 O4 Pd4 -","4","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.","Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides","Organometallics","2005","24","10","2516","2527","10.1021/om048999c","","","0.71073","MoKα","","0.0166","0.0152","","","0.0381","0.0386","","","","","","1.044","","","","has coordinates","180560","2020-10-21","18:00:00",""
"1501673","11.432","0.009","24.09","0.03","10.121","0.009","90","","90","","90","","2787","5","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H30 N4 O8 S8 -","- C16 H30 N4 O8 S8 -","- C64 H120 N16 O32 S32 -","4","1","","Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure.","The journal of physical chemistry. B","2011","115","12","3020","3026","10.1021/jp110010z","","","0.71075","MoKα","","0.0747","0.0663","","","0.1586","0.1662","","","","","","1.019","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1501901","23.245","0.005","11.539","0.003","12.288","0.002","90","","90","","90","","3295.9","1.2","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H42 B N -","- C42 H42 B N -","- C168 H168 B4 N4 -","4","1","","Hudson, Zachary M.; Liu, Xiang-Yang; Wang, Suning","Switchable Three-State Fluorescence of a Nonconjugated Donor‒Acceptor Triarylborane","Organic Letters","2011","13","2","300","303","10.1021/ol102749y","","","0.71073","MoKα","","0.263","0.0588","","","0.0858","0.1224","","","","","","0.703","","","","has coordinates","210333","2020-10-21","18:00:00",""
"1502604","15.819","0.017","11.095","0.012","11.877","0.013","90","","90","","90","","2085","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1407","0.0782","","","0.1953","0.2676","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502701","7.302","0.0015","10.636","0.002","21.028","0.004","90","","90","","90","","1633.1","0.6","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Thallium(I) propanoate","Thallium(I) propionoate","","- C3 H5 O2 Tl -","- C3 H5 O2 Tl -","- C36 H60 O24 Tl12 -","12","3","","Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A","Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase.","The journal of physical chemistry. B","2010","114","31","10075","10085","10.1021/jp1031702","","","0.7513","Synchrotron","","0.0976","0.07","","","0.176","0.21","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502961","28.649","0.004","7.6936","0.001","18.557","0.002","90","","90","","90","","4090.2","0.9","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H20 Br2 Se2 Si2 -","- C14 Br2 Se2 Si2 -","- C112 Br16 Se16 Si16 -","8","2","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0585","0.0486","","","0.1198","0.126","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503035","20.0329","0.0005","6.5664","0.0002","17.1418","0.0004","90","","90","","90","","2254.9","0.1","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H40 O3 Si -","- C24 H40 O3 Si -","- C96 H160 O12 Si4 -","4","1","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","1.54178","CuKα","","0.0289","0.0287","","","0.0762","0.0765","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503059","16.5169","0.0009","5.7641","0.0003","50.954","0.003","90","","90","","90","","4851.1","0.5","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3R,3aS,3a1R,4S,6aR,9aS)-tert-butyl 4-(3,5-dimethoxyphenyl)-9a-hydroxy- 3-methyl-2,3,3a,3a1,4,6a,7,8,9,9a-decahydro-1H-benzo[de]quinoline-1-carboxylate","","- C26 H37 N O5 -","- C26 H37 N O5 -","- C208 H296 N8 O40 -","8","2","","Burke, Jason P.; Sabat, Michal; Iovan, Diana A.; Myers, William H.; Chruma, Jason J.","Exploring the original proposed biosynthesis of (+)-symbioimine: remote exocyclic stereocontrol in a type I IMDA reaction.","Organic letters","2010","12","14","3192","3195","10.1021/ol101141a","","","0.71073","MoKα","","0.1501","0.0503","","","0.075","0.0959","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503137","11.0204","0.0005","8.2388","0.0005","12.1197","0.0006","90","","90","","90","","1100.41","0.1","100","2","100","2","","","","","","","synthesis as described","3","P c a 21","P 2c -2ac","29","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","","Cordes, Jens; Harms, Klaus; Koert, Ulrich","Synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2010","12","17","3808","3811","10.1021/ol101500k","","x-ray","0.71073","MoKα","","0.0247","0.0235","","","0.0587","0.0591","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503343","18.015","0.002","8.9617","0.001","6.7552","0.0008","90","","90","","90","","1090.6","0.2","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H8 F3 N O4 -","- C10 H8 F3 N O4 -","- C40 H32 F12 N4 O16 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.","Organic letters","2010","12","1","128","131","10.1021/ol9025233","","","0.71073","MoKα","","0.0675","0.0595","","","0.1616","0.1716","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503493","11.8807","0.001","19.0098","0.0016","8.062","0.0007","90","","90","","90","","1820.8","0.3","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.0628","0.0531","","","0.1242","0.1297","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503561","16.7103","0.0015","11.6052","0.001","12.5938","0.0011","90","","90","","90","","2442.3","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.0602","0.0445","","","0.0918","0.0982","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503649","28.2746","0.0006","7.6602","0.0002","7.6661","0.0002","90","","90","","90","","1660.39","0.07","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C88 H68 N4 O4 S4 -","4","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0877","0.065","","","0.1955","0.214","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503662","13.516","0.006","9.108","0.004","22.558","0.009","90","","90","","90","","2777","2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","aa_py4os2","","","- C14 H13 N O3 S2 -","- C14 H13 N O3 S2 -","- C112 H104 N8 O24 S16 -","8","2","","Agrawal, Arpita; de Oliveira, César Augusto F; Cheng, Yuhui; Jacobsen, Jennifer A.; McCammon, J. Andrew; Cohen, Seth M.","Thioamide hydroxypyrothiones supersede amide hydroxypyrothiones in potency against anthrax lethal factor.","Journal of medicinal chemistry","2009","52","4","1063","1074","10.1021/jm8013212","","","0.71073","MoKα","","0.0467","0.0422","","","0.1054","0.1096","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503897","9.7231","0.0008","9.0749","0.0007","13.0834","0.001","90","","90","","90","","1154.43","0.16","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H18 N4 O2 -","- C11 H18 N4 O2 -","- C44 H72 N16 O8 -","4","1","","Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A.","Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings.","Organic letters","2009","11","11","2257","2260","10.1021/ol900562u","","","0.71073","MoKα","","0.0281","0.0271","","","0.0716","0.0726","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503906","24.138","0.003","8.8059","0.0008","10.177","0.0011","90","","90","","90","","2163.2","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C112 H120 O16 -","4","1","","Mitasev, Branko; Porco, Jr, John A","Manganese(III)-mediated transformations of phloroglucinols: a formal oxidative [4 + 2] cycloaddition leading to bicyclo[2.2.2]octadiones.","Organic letters","2009","11","11","2285","2288","10.1021/ol900590t","","","0.71073","MoKα","","0.0625","0.042","","","0.0874","0.0958","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503974","12.306","0.004","12.827","0.004","10.576","0.003","90","","90","","90","","1669.4","0.9","273","2","273","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Majetich, George; Grove, Jeremy L.","Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.","Organic letters","2009","11","13","2904","2907","10.1021/ol9009128","","","0.71073","MoKα","","0.0807","0.0472","","","0.1053","0.1223","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504040","26.395","0.002","12.0508","0.0014","7.482","0.0009","90","","90","","90","","2379.9","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","4-[(E)-iodoethenyl]biphenyl","","- C14 H11 I -","- C14 H11 I -","- C112 H88 I8 -","8","2","","Pawluć, Piotr; Hreczycho, Grzegorz; Szudkowska, Justyna; Kubicki, Maciej; Marciniec, Bogdan","New one-pot synthesis of (E)-beta-aryl vinyl halides from styrenes.","Organic letters","2009","11","15","3390","3393","10.1021/ol901233j","","","0.71073","MoKα","","0.0801","0.0423","","","0.0851","0.089","","","","","","1.116","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504479","11.147","0.004","18.976","0.007","9.467","0.003","90","","90","","90","","2002.5","1.2","123","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N O4 -","- C24 H28 N O4 -","- C96 H112 N4 O16 -","4","1","","Taniguchi, Tsuyoshi; Tanabe, Genzo; Muraoka, Osamu; Ishibashi, Hiroyuki","Total synthesis of (+/-)-stemonamide and (+/-)-isostemonamide using a radical cascade.","Organic letters","2008","10","2","197","199","10.1021/ol702563p","","","0.71075","MoKα","","","0.1711","","","","0.4527","","","","","","1.132","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505089","15.2411","0.0014","8.2598","0.0007","32.681","0.002","90","","90","","90","","4114.2","0.6","140","2","140","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H13 I N2 O -","- C7 H13 I N2 O -","- C112 H208 I16 N32 O16 -","16","4","","Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.","Revisiting ether-derivatized imidazolium-based ionic liquids.","The journal of physical chemistry. B","2007","111","34","10095","10108","10.1021/jp073419l","","","0.71073","MoKα","","0.0722","0.0558","","","0.119","0.1313","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505271","18.5095","0.0016","11.1086","0.001","22.85","0.002","90","","90","","90","","4698.3","0.7","546","2","546","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C48 H60 O8 S4 -","- C48 H60 O8 S4 -","- C192 H240 O32 S16 -","4","1","","Lee, Jai Young; Kwon, Jongchul; Park, Chul Soon; Lee, Ji-Eun; Sim, Wonbo; Kim, Jong Seung; Seo, Joobeom; Yoon, Il; Jung, Jong Hwa; Lee, Shim Sung","Calix[4]thiacrowns as ditopic hosts for homo- and heterobinuclear accommodation: first report of a chopsticks-type pi-coordination.","Organic letters","2007","9","3","493","496","10.1021/ol062863o","","","0.71073","MoKα","","0.168","0.0808","","","0.1443","0.1734","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506234","11.2356","0.0003","5.4389","0.0002","19.1892","0.0005","90","","90","","90","","1172.64","0.06","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Jervis, Peter J.; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2,4,5-trisubstituted tetrahydropyrans using an intramolecular allylation strategy.","Organic letters","2006","8","20","4649","4652","10.1021/ol061957v","","","1.54178","CuKα","","0.0339","0.0312","","","0.0898","0.0927","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506335","19.837","0.009","7.084","0.003","14.896","0.007","90","","90","","90","","2093.3","1.6","240","2","240","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Aqua(N-methyliminodipropionato)copper(II) monohydrate","Aqua(N-methyl-N-(2-carboxyethyl)-β-alaninato)copper(II) monohydrate","","- C7 H15 Cu N O6 -","- C7 H15 Cu N O6 -","- C56 H120 Cu8 N8 O48 -","8","2","","Skorik, Yury A.; Gomes, Carlos A. R.; Podberezskaya, Nina V.; Romanenko, Galina V.; Pinto, Luiz F.; Yatluk, Yury G.","Complexation Models ofN-(2-Carboxyethyl)chitosans with Copper(II) Ions","Biomacromolecules","2005","6","1","189","","10.1021/bm049597r","","","0.71073","MoKα","","0.0352","0.0336","","","0.0922","0.0931","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506370","14.77","0.007","20.689","0.009","12.699","0.005","90","","90","","90","","3881","3","233.1","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-imidazolidin-2-yl)-benzoic acid 2,4-bis-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-imidazolidin-2-yl) -phenyl ester","","- C37 H49 N6 O9 -","- C37 H25 N6 O9 -","- C148 H100 N24 O36 -","4","1","","Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Exchange interaction in covalently bonded biradical-monoradical composite molecules.","The journal of physical chemistry. B","2005","109","8","3303","3309","10.1021/jp046092m","","","0.7107","MoKα","","","0.123","","","","0.21","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506496","12.3501","0.0014","18.786","0.002","10.827","0.0012","90","","90","","90","","2512","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 3b","11,23-dimethyl-4,6,16,18-tetranitro-2,8,14,20-tetraoxacalix[4]arene","","- C26 H16 N4 O12 -","- C26 H16 N4 O12 -","- C104 H64 N16 O48 -","4","1","","Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R.","Synthesis of functionalized oxacalix[4]arenes.","Organic letters","2005","7","1","91","94","10.1021/ol047840t","","","0.71073","MoKα","","0.1187","0.0711","","","0.1404","0.1702","","","","","","0.962","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506524","15.686","0.003","12.04","0.002","7.8796","0.0015","90","","90","","90","","1488.1","0.5","203","2","203","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.0633","0.0355","","","0.0855","0.1145","","","","","","1.086","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506666","17.946","0.0007","11.4823","0.0005","7.3257","0.0003","90","","90","","90","","1509.54","0.11","87","2","87","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-Me-Ph-IF2","","","- C7 H7 F2 I -","- C7 H7 F2 I -","- C56 H56 F16 I8 -","8","2","","Ye, Chengfeng; Twamley, Brendan; Shreeve, Jean'ne M.","Straightforward syntheses of hypervalent iodine(III) reagents mediated by Selectfluor.","Organic letters","2005","7","18","3961","3964","10.1021/ol051446t","","","0.71073","MoKα","","0.0232","0.0228","","","0.0568","0.0571","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506681","33.749","0.012","12.982","0.005","19.167","0.007","90","","90","","90","","8398","5","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C88 H76 Cl12 N6 O6 -","- C88 H76 Cl12 N6 O6 -","- C352 H304 Cl48 N24 O24 -","4","1","","Tominaga, Masahide; Masu, Hyuma; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","Triple helicate constructed by covalent bondings: crystal structure and effective synthesis based on propeller-like substructures.","Organic letters","2005","7","17","3785","3787","10.1021/ol051477o","","","0.71073","MoKα","","0.1618","0.0892","","","0.2229","0.2679","","","","","","0.95","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506741","14.174","0.002","11.5857","0.0017","12.0325","0.0018","90","","90","","90","","1975.9","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H26 Cl2 N2 O2 -","- C18 H26 Cl2 N2 O2 -","- C72 H104 Cl8 N8 O8 -","4","1","","Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN","Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.","Organic letters","2005","7","24","5413","5415","10.1021/ol052071e","","","0.71073","MoKα","","0.1306","0.0533","","","0.1322","0.1569","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506809","13.515","0.003","11.858","0.003","10.593","0.003","90","","90","","90","","1697.6","0.7","297.2","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H19 N4 O2 -","- C18 H19 N4 O2 -","- C72 H76 N16 O8 -","4","1","","Nagashima, Hideaki; Inoue, Hidenari; Yoshioka, Naoki","An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal: The Role of the Hydrogen Bond.","The journal of physical chemistry. B","2004","108","20","6144","6151","10.1021/jp035849r","","","0.71073","MoKα","","","0.041","","","","0.082","","","","","","0.83","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507057","11.134","0.0005","6.498","0.0003","10.429","0.0005","90","","90","","90","","754.52","0.06","298","","","","","","","","","","Local laboratory","4","P c a 21","P 2c -2ac","29","","7,8-Dithiabicyclo[4.2.1]nonane 7-exo-oxide","","- C7 H8 O S2 -","- C7 H8 O S2 -","- C28 H32 O4 S8 -","4","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","0.71073","MoKα","","0.0281","0.0279","","","0.0793","0.0796","","","","","","1.193","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507058","19.794","0.002","6.216","0.0007","12.889","0.0013","90","","90","","90","","1585.9","0.3","298","","","","","","","","","","Local laboratory","4","P c a 21","P 2c -2ac","29","","7,8-Dithiabicyclo[4.2.1]nonane 7-exo, 8-exo-dioxide","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C56 H64 O16 S16 -","8","2","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","0.71073","MoKα","","0.0773","0.069","","","0.1801","0.1868","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507788","9.4898","0.0012","15.218","0.002","8.9436","0.0012","90","","90","","90","","1291.6","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Compound 3","","","- C10 H15 N3 O5 Pt -","- C10 H15 N3 O5 Pt -","- C40 H60 N12 O20 Pt4 -","4","1","","Wilson, Justin J.; Lippard, Stephen J.","In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.","Journal of medicinal chemistry","2012","55","11","5326","5336","10.1021/jm3002857","","","0.71073","MoKα","","0.0144","0.0131","","","0.0285","0.0289","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507848","10.86","0.003","17.451","0.005","8.049","0.002","90","","90","","90","","1525.4","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 Br O4 -","- C17 H15 Br O4 -","- C68 H60 Br4 O16 -","4","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.0985","0.052","","","0.1147","0.1404","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507879","15.2379","0.0011","14.5654","0.0011","19.8667","0.0014","90","","90","","90","","4409.3","0.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Compound 3","8,16,29-Trithia-1-azahexacyclo[10.10.8.1^10,14^.0^2,7^.0 ^17,22^.0^23,28^]hentriacontadodecaene","","- C27 H21 N S3 -","- C27 H21 N S3 -","- C216 H168 N8 S24 -","8","2","","Sathyamoorthi, Shyam; Mague, Joel T.; Pascal, Jr, Robert A","An in-triphenylaminophane.","Organic letters","2012","14","13","3427","3429","10.1021/ol3014073","","","0.71073","MoKα","","0.0491","0.0406","","","0.0843","0.0898","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508023","23.4395","0.001","21.7426","0.001","17.4435","0.0008","90","","90","","90","","8889.8","0.7","151","2","151","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","mu-5,6-dimethylbenzImidazolato-bis(2,6-bis[1,1-bis(2-pyridyl)ethyl]pyridine)divanadium(II/III) tetrakis(hexafluorophosphate)","","- C81 H84 F24 N17 O P4 V2 -","- C81 H84 F24 N17 O P4 V2 -","- C324 H336 F96 N68 O4 P16 V8 -","4","1","","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","","0.059","0.0507","","","0.1321","0.1401","","","","","","1.03","","","","has coordinates","194610","2020-10-21","18:00:00",""
"1508241","24.882","0.0001","10.719","0.0001","25.2792","0.0001","90","","90","","90","","6742.22","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H107 B O4 U2 -","- C76 H107 B O4 U2 -","- C304 H428 B4 O16 U8 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54178","CuKα","","0.0279","0.0265","","","0.0635","0.0646","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508330","15.563","0.007","5.224","0.003","32.605","0.015","90","","90","","90","","2651","2","203","2","203","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C112 H144 O32 -","8","2","","Han, Xun; Floreancig, Paul E.","Synthesis of bridged inside-outside bicyclic ethers through oxidative transannular cyclization reactions.","Organic letters","2012","14","14","3808","3811","10.1021/ol301720u","","","0.71073","MoKα","","0.0589","0.0426","","","0.1184","0.1303","","","","","","0.877","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508341","20.6019","0.0014","7.0886","0.0005","32.075","0.003","90","","90","","90","","4684.2","0.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H27 N7 O7 -","- C22 H27 N7 O7 -","- C176 H216 N56 O56 -","8","2","","Dyablo, Olga V.; Shmoilova, Elena A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Burov, Oleg N.; Starikova, Zoya A.","4,5-Bis(dimethylamino)quinolines: Proton Sponge versus Azine Behavior.","Organic letters","2012","14","16","4134","4137","10.1021/ol301777s","","","0.71073","MoKα","","0.0802","0.0535","","","0.0911","0.1015","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508519","19.7267","0.0007","5.7377","0.0002","36.268","0.0011","90","","90","","90","","4105","0.2","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H26 Fe N2 O2 -","- C25 H26 Fe N2 O2 -","- C200 H208 Fe8 N16 O16 -","8","2","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0806","0.0706","","","0.1638","0.1708","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508637","14.2621","0.0004","16.5312","0.0006","6.638","0.0002","90","","90","","90","","1565.04","0.09","147","2","147","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H17 I O3 -","- C18 H17 I O3 -","- C72 H68 I4 O12 -","4","1","","Petrone, David A.; Malik, Hasnain A.; Clemenceau, Antonin; Lautens, Mark","Functionalized chromans and isochromans via a diastereoselective Pd(0)-catalyzed carboiodination.","Organic letters","2012","14","18","4806","4809","10.1021/ol302111y","","","0.71073","MoKα","","0.0355","0.0252","","","0.0473","0.0505","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508667","15.7767","0.001","14.3048","0.001","24.0147","0.0016","90","","90","","90","","5419.7","0.6","90","0.5","90","0.5","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C92.25 H46 -","- C80 H32 -","- C320 H128 -","4","1","","Yanney, Michael; Fronczek, Frank R.; Sygula, Andrzej","Corannulene subunit acts as a diene in a cycloaddition reaction: synthesis of C80H32 corannulyne tetramer.","Organic letters","2012","14","18","4942","4945","10.1021/ol302274j","","","1.54178","CuKα","","0.0824","0.0553","","","0.1065","0.1168","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508736","15.3122","0.0004","15.6051","0.0004","6.1644","0.0001","90","","90","","90","","1472.97","0.06","200","","200","","","","","","","","local","4","P c a 21","P 2c -2ac","29","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0429","0.0305","","0.0662","0.0635","0.0662","","","","","","0.8013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508819","11.6146","0.0008","7.7855","0.0005","35.607","0.002","90","","90","","90","","3219.8","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H19 Cl N4 O4 -","- C15 H19 Cl N4 O4 -","- C120 H152 Cl8 N32 O32 -","8","2","","Ye, Zhenjun; Shi, Lina; Shao, Xusheng; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong","Pyrrole- and dihydropyrrole-fused neonicotinoids: design, synthesis, and insecticidal evaluation.","Journal of agricultural and food chemistry","2013","61","2","312","319","10.1021/jf3044132","","","0.71073","MoKα","","0.062","0.0457","","","0.1097","0.1213","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509199","19.488","","6.6","","12.661","","90","","90","","90","","1628.47","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ag (As O3)","","- Ag As O3 -","- Ag As O3 -","- Ag24 As24 O72 -","24","6","","Jansen, M.; Curda, J.; Peters, E.M.","Ein Metaarsenat(V) Anion neuartiger Konstitution in Ag As O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","491","494","10.1002/zaac.200300388","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510695","15.068","","8.72","","10.128","","90","","90","","90","","1330.75","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ba2 Zn (B O3)2","","- B2 Ba2 O6 Zn -","- B2 Ba2 O6 Zn -","- B16 Ba16 O48 Zn8 -","8","2","","Smith, R.W.; Koliha, L.J.","A new noncentrosymmetric orthoborate (Ba2 Zn (B O3)2)","Materials Research Bulletin","1994","29","","1203","1210","10.1016/0025-5408(94)90190-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510892","18.457","","4.4675","","4.2951","","90","","90","","90","","354.16","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ce (B O2)3","","- B3 Ce O6 -","- B3 Ce O6 -","- B12 Ce4 O24 -","4","1","","Huppertz, H.; Despotopoulou, C.; Emme, H.","High-pressure synthesis and crystal structure of structurally new orthorhombic rare-earth meta-oxoborates gamma-RE (B O2)3 (RE= La - Nd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2450","2457","10.1002/zaac.200400202","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511655","8.5218","","8.5127","","12.0408","","90","","90","","90","","873.482","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ni3 (B7 O13 Br)","","- B7 Br Ni3 O13 -","- B7 Br Ni3 O13 -","- B28 Br4 Ni12 O52 -","4","1","","Svensson, C.; Abrahams, S.C.; Bernstein, J.L.","Orthorhombic phase of nickel bromine boracite Ni3 B7 O13 Br: room temperature ferroelectric- ferroelastic crystal structure","Journal of Chemical Physics","1981","75","","1912","1918","10.1063/1.442216","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511658","8.5647","","8.6125","","12.1453","","90","","90","","90","","895.88","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Cr3 (B7 O13 Cl)","","- B7 Cl Cr3 O13 -","- B7 Cl Cr3 O13 -","- B28 Cl4 Cr12 O52 -","4","1","","Schmid, H.; Mao, S.Y.; Kubel, F.; Yvon, K.","Powder and single-crystal X-ray study of chromium chlorine boracite, Cr3 B7 O13 Cl, at low temperature. Powder refinement of the orthorhombic modification at 100K","Ferroelectrics","1992","132","","239","244","10.1080/00150199208009091","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511665","8.6012","","8.5695","","12.1208","","90","","90","","90","","893.4","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Co3 (B7 O13 I)","","- B7 Co3 I O13 -","- B7 Co3 I O13 -","- B28 Co12 I4 O52 -","4","1","","Clin, M.; Fischer, P.; Schmid, H.; Schobinger, P.","Magnetic phase transition in cobalt iodine boracite","Phase Transition","1991","33","","149","157","10.1080/01411599108207726","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511676","8.7603","","8.6936","","12.3466","","90","","90","","90","","940.299","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Mn3 (B7 O13 I)","","- B7 I Mn3 O13 -","- B7 I Mn3 O13 -","- B28 I4 Mn12 O52 -","4","1","","Ritter, C.; Schobinger-Papamantellos, P.; Schmid, H.; Crottaz, O.; Suard, E.; Gentil, S.; Rivera, J.P.","Magnetic ordering of Mn3 B7 O13 X (X = Cl, Br, I) boracites determined by magnetic measurements and neutron diffraction","Ferroelectrics","1997","204","","45","55","10.1080/00150199708222187","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511780","9.598","0.002","13.32","0.003","6.4599","0.0015","90","","90","","90","","825.9","0.3","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","KA_D_P","KA_D_P","","- C8 H4 D K O4 -","- C8 H4 D K O4 -","- C32 H16 D4 K4 O16 -","4","1","","Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J.","Proton transfer and photoluminescence intermittency of single emitters in dyed crystals.","The journal of physical chemistry. B","2013","117","16","4313","4324","10.1021/jp306392e","","","0.71073","MoKα","","0.0477","0.0403","","","0.0977","0.1038","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511781","9.6164","0.0009","13.3282","0.0013","6.4869","0.0006","90","","90","","90","","831.42","0.14","360","2","360","2","","","","","","","","5","P c a 21","P 2c -2ac","29","KA_D_P","KA_D_P","","- C8 H4 D K O4 -","- C8 H4 D K O4 -","- C32 H16 D4 K4 O16 -","4","1","","Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J.","Proton transfer and photoluminescence intermittency of single emitters in dyed crystals.","The journal of physical chemistry. B","2013","117","16","4313","4324","10.1021/jp306392e","","","0.71073","MoKα","","0.0656","0.0533","","","0.1254","0.1381","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511782","9.5955","0.0002","13.2964","0.0003","6.4663","0.0001","90","","90","","90","","825.01","0.03","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","kap20","kap20","","- C8 H5 K O4 -","- C8 H5 K O4 -","- C32 H20 K4 O16 -","4","1","","Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J.","Proton transfer and photoluminescence intermittency of single emitters in dyed crystals.","The journal of physical chemistry. B","2013","117","16","4313","4324","10.1021/jp306392e","","","0.71073","MoKα","","0.026","0.0236","","","0.0602","0.0618","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511783","9.6172","0.0006","13.3264","0.001","6.4876","0.0004","90","","90","","90","","831.47","0.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","kap87","kap87","","- C8 H5 K O4 -","- C8 H5 K O4 -","- C32 H20 K4 O16 -","4","1","","Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J.","Proton transfer and photoluminescence intermittency of single emitters in dyed crystals.","The journal of physical chemistry. B","2013","117","16","4313","4324","10.1021/jp306392e","","","0.71073","MoKα","","0.032","0.0271","","","0.0631","0.0653","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511795","27.724","0.002","3.8968","0.0003","11.6473","0.0009","90","","90","","90","","1258.31","0.16","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H8 O2 S3 -","- C14 H8 O2 S3 -","- C56 H32 O8 S12 -","4","1","","Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D.","Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules","The Journal of Physical Chemistry C","2013","117","12","6022","","10.1021/jp310555b","","","0.71073","MoKα","","0.0265","0.0244","","","0.0616","0.0629","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512105","11.3759","0.0012","11.6984","0.0012","15.9768","0.0016","90","","90","","90","","2126.2","0.4","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","CP254PPP","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C96 H108 N4 O16 S4 -","4","1","","Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick","Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates.","Organic letters","2013","15","11","2814","2817","10.1021/ol401147w","","","0.71073","MoKα","","0.0396","0.038","","","0.0993","0.1006","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512458","12.948","0.003","16.785","0.004","16.495","0.004","90","","90","","90","","3584.9","1.5","298","2","298","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C26 H30 Au2 F6 N2 O6 P2 S2 -","- C26 H30 Au2 F6 N2 O6 P2 S2 -","- C104 H120 Au8 F24 N8 O24 P8 S8 -","4","1","","Manuel Bardaji; Ana B. Miguel-Coello; Pablo Espinet","Mono- and dinuclear luminescent 1,1'-biisoquinoline gold(I) complexes","Inorganica Chimica Acta","2012","392","","91","98","10.1016/j.ica.2012.06.024","","","0.71073","MoKα","","0.0672","0.04","","","0.0867","0.0982","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512596","11.1874","0.0015","14.775","0.002","8.1374","0.001","90","","90","","90","","1345.1","0.3","90","0.5","90","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H14 Br2 O Te -","- C11 H14 Br2 O Te -","- C44 H56 Br8 O4 Te4 -","4","1","","Conner, Elizabeth S.; Crocker, Katherine E.; Fernando, Ranelka G.; Fronczek, Frank R.; Stanley, George G.; Ragains, Justin R.","Visible-light-promoted selenofunctionalization of alkenes.","Organic letters","2013","15","21","5558","5561","10.1021/ol402753u","","","0.71073","MoKα","","0.0524","0.0442","","","0.084","0.0871","","","","","","1.467","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512706","7.949","0.003","19.348","0.006","10.049","0.003","90","","90","","90","","1545.5","0.9","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H19 Cl2 N Pd Se -","- C13 H19 Cl2 N Pd Se -","- C52 H76 Cl8 N4 Pd4 Se4 -","4","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.0698","0.0606","","","0.1205","0.1246","","","","","","1.209","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513038","22.703","0.003","6.9191","0.0012","18.637","0.003","90","","90","","90","","2927.6","0.8","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H75 Cl16 N8 O8 Zn4 -","- C32 H75 Cl16 N8 O8 Zn4 -","- C64 H150 Cl32 N16 O16 Zn8 -","2","0.5","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.087","0.0811","","","0.2003","0.2058","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513061","10.9481","0.0015","14.463","0.003","8.0063","0.0012","90","","90","","90","","1267.7","0.4","198","2","198","2","","","","","","","","4","P c a 21","P 2c -2ac","29","isophorone amino nitrimine","","","- C10 H22 N3 O3 -","- C10 H22 N3 O3 -","- C40 H88 N12 O12 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals","Journal of Inclusion Phenomena and Macrocyclic Chemistry","2013","76","","415","","10.1007/s10847-012-0213-x","","","0.71073","MoKα","","0.0804","0.0617","","","0.1548","0.167","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513075","10.466","0.006","18.241","0.011","8.265","0.004","90","","90","","90","","1577.9","1.5","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","tyramine monohydrate","","","- C14 H23 N4 O6 -","- C16 H21 N2 O3 -","- C64 H84 N8 O12 -","4","1","","Ivanova, Bojidarka","Solid-state Raman spectra of non-centrosymmetric crystals – theoretical vs. experimental study towards an application in THz-regime","Journal of Molecular Structure","2012","1016","","47","","10.1016/j.molstruc.2012.02.040","","","0.71073","MoKα","","0.0841","0.0556","","","0.1498","0.1713","","","","","","0.904","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513133","7.5615","0.0001","21.1348","0.0004","16.2978","0.0003","90","","90","","90","","2604.56","0.08","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H14 S2 -","- C15 H14 S2 -","- C120 H112 S16 -","8","2","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.024","0.023","","","0.058","0.059","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513248","14.893","0.015","8.972","0.009","7.742","0.008","90","","90","","90","","1034.5","1.8","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Markey, Sophie J.; Lewis, William; Moody, Christopher J.","A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes.","Organic letters","2013","15","24","6306","6308","10.1021/ol403191k","","","0.71073","MoKα","","0.0832","0.0658","","","0.1673","0.1898","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513736","8.729","0.003","14.045","0.005","16.041","0.006","90","","90","","90","","1966.6","1.2","110","","110","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C11 H12 F6 Li N O13 S2 -","- C11 H12 F6 Li N O13 S2 -","- C44 H48 F24 Li4 N4 O52 S8 -","4","1","","McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.","Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms","Energy & Environmental Science","2014","7","1","416","","10.1039/c3ee42351d","","","0.71073","MoKα","","0.073","0.0472","","","0.1138","0.1265","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513790","11.1674","0.0003","10.4372","0.0003","16.4146","0.0012","90","","90","","90","","1913.23","0.16","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H16 F6 N3 P Ru -","- C17 H16 F6 N3 P Ru -","- C68 H64 F24 N12 P4 Ru4 -","4","1","","Li, Le; Herzon, Seth B.","Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes.","Nature chemistry","2014","6","1","22","27","10.1038/nchem.1799","","","0.71075","MoKα","","0.0221","0.0212","","","0.0482","0.0485","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513796","19.1914","0.001","10.6017","0.0005","23.3513","0.0012","90","","90","","90","","4751.1","0.4","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","2","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.033","0.0282","","","0.0636","0.0664","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514404","10.0174","0.0007","15.9406","0.0012","7.9776","0.0006","90","","90","","90","","1273.89","0.16","143","1","143","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H9 F6 N -","- C14 H9 F6 N -","- C56 H36 F24 N4 -","4","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0263","0.0246","","","0.0642","0.0655","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514453","25.2196","0.0007","11.8584","0.0004","8.5478","0.0003","90","","90","","90","","2556.34","0.14","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H30 O3 Si -","- C29 H30 O3 Si -","- C116 H120 O12 Si4 -","4","1","","Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A.","Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2","Chemical Science","2013","4","4","1547","","10.1039/c3sc22002h","","","1.54178","CuKα","","0.0447","0.0381","","","0.0917","0.0955","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514728","23.574","0.002","11.1504","0.001","23.342","0.002","90","","90","","90","","6135.7","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[PPh3Au](1,3-diethoxycarbonyl-2-mercapto-6-azulenethiolate)","","","- C34 H30 Au O4 P S2 -","- C34 H30 Au O4 P S2 -","- C272 H240 Au8 O32 P8 S16 -","8","2","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0342","0.0294","","","0.0698","0.0721","","","","","","0.998","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1514860","12.8493","0.0004","6.2192","0.0002","20.5103","0.0006","90","","90","","90","","1639.03","0.09","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 Au Cl N2 -","- C19 H16 Au Cl N2 -","- C76 H64 Au4 Cl4 N8 -","4","1","","Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia","Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights.","Metallomics : integrated biometal science","2013","5","8","1006","1015","10.1039/c3mt20260g","","","0.7107","MoKα","","0.0612","0.0441","","","0.0997","0.115","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515158","24.2219","0.0009","5.1953","0.0002","7.4212","0.0003","90","","90","","90","","933.88","0.06","150","","150","","","","","","","","local","3","P c a 21","P 2c -2ac","29","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","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","","0.0296","0.0271","","0.0335","0.0314","0.0314","","","","","","1.1227","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515284","12.0187","0.0006","6.49642","0.00032","7.6645","0.0005","90","","90","","90","","598.43","0.06","","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B H12 Li N4 -","- B H12 Li N4 -","- B4 H48 Li4 N16 -","4","1","","He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping","Borohydride hydrazinates: high hydrogen content materials for hydrogen storage","Energy & Environmental Science","2012","5","2","5686","","10.1039/c2ee03205h","powder diffraction","x-ray","1.238","synchrotron","","","","","","","","0.2003","","1.2","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515367","17.405","0.012","8.732","0.006","17.612","0.012","90","","90","","90","","2677","3","100","2","100","2","","","","","","","Nathalie Busschaert Samuel J. Bradberry","5","P c a 21","P 2c -2ac","29","","","","- C13 H19 F N2 S -","- C13 H19 F N2 S -","- C104 H152 F8 N16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0822","0.0693","","","0.1303","0.1367","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515449","11.93","0.002","8.5702","0.0015","30.278","0.005","90","","90","","90","","3095.7","0.9","100","2","100","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.1036","0.0644","","","0.1515","0.1788","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515813","33.636","0.0003","11.4193","0.0005","18.0125","0.0009","90","","90","","90","","6918.6","0.5","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H34 Cl2 F6 N2 O6 Pd2 -","- C29 H34 Cl2 F6 N2 O6 Pd2 -","- C232 H272 Cl16 F48 N16 O48 Pd16 -","8","2","","Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M.","Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate","Chemical Science","2010","1","3","331","","10.1039/c0sc00231c","","","0.71073","MoKα","","0.0898","0.0546","","","0.1166","0.1359","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515821","11.892","0.009","15.074","0.011","9.64","0.007","90","","90","","90","","1728","2","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H24 Cl2 Cu N3 -","- C15 H24 Cl2 Cu N3 -","- C60 H96 Cl8 Cu4 N12 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0442","0.033","","","0.0756","0.0805","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515822","12.3103","0.0014","15.3429","0.0017","9.6916","0.0011","90","","90","","90","","1830.5","0.4","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H24 Br2 Cu N3 -","- C15 H24 Br2 Cu N3 -","- C60 H96 Br8 Cu4 N12 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0374","0.0266","","","0.0547","0.0576","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515824","12.47","0.002","15.254","0.003","9.07","0.0017","90","","90","","90","","1725.3","0.5","300","2","300","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H24 Cl2 Cu N3 O -","- C14 H24 Cl2 Cu N3 O -","- C56 H96 Cl8 Cu4 N12 O4 -","4","1","","Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi","Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions","Chemical Science","2010","1","3","326","","10.1039/c0sc00245c","","","0.71073","MoKα","","0.0496","0.0455","","","0.1358","0.1419","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515980","25.739","0.005","9.667","0.005","12.857","0.005","90","","90","","90","","3199","2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H44 N4 O4 -","- C36 H44 N4 O4 -","- C144 H176 N16 O16 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0587","0.0475","","","0.1081","0.1187","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515990","17.384","0.005","9.096","0.002","28.177","0.007","90","","90","","90","","4455","2","188","1","188","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H27 N3 O3 -","- C27 H27 N3 O3 -","- C216 H216 N24 O24 -","8","2","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.0893","0.0411","","","0.0725","0.0877","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516133","7.4442","0.0003","27.2175","0.001","19.194","0.0007","90","","90","","90","","3888.9","0.3","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H4 Br4 Cl4 -","- C20 H4 Br4 Cl4 -","- C160 H32 Br32 Cl32 -","8","2","","Zagranyarski, Yulian; Chen, Long; Jänsch, Daniel; Gessner, Thomas; Li, Chen; Müllen, Klaus","Toward perylene dyes by the hundsdiecker reaction.","Organic letters","2014","16","11","2814","2817","10.1021/ol5008586","","","0.71073","MoKα","","0.0859","0.0545","","","0.1238","0.1437","","","","","","0.959","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1516374","7.6093","0.0008","18.2086","0.0018","17.2841","0.0017","90","","90","","90","","2394.8","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H32 N4 O6 -","- C22 H32 N4 O6 -","- C88 H128 N16 O24 -","4","1","","Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi","New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.","The journal of physical chemistry. A","2009","113","42","11354","11366","10.1021/jp902517x","","","0.71073","MoKα","","0.0564","0.033","","","0.0751","0.0979","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516637","14.273","0.002","4.6009","0.0006","10.7534","0.0016","90","","90","","90","","706.16","0.17","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","[2-BrPyH][Br]","","","- C5 H5 Br2 N -","- C5 H5 Br2 N -","- C20 H20 Br8 N4 -","4","1","","Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan","The nature of halogen...halide synthons: theoretical and crystallographic studies.","The journal of physical chemistry. A","2007","111","12","2319","2328","10.1021/jp0660684","","","0.71073","MoKα","","0.0348","0.0282","","","0.0594","0.0617","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516638","14.274","0.003","4.4396","0.0009","10.581","0.002","90","","90","","90","","670.5","0.2","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[2-BrPyH][Cl]'","","","- C5 H5 Br Cl N -","- C5 H5 Br Cl N -","- C20 H20 Br4 Cl4 N4 -","4","1","","Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan","The nature of halogen...halide synthons: theoretical and crystallographic studies.","The journal of physical chemistry. A","2007","111","12","2319","2328","10.1021/jp0660684","","","0.71073","MoKα","","0.089","0.0463","","","0.0851","0.0982","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516639","14.2891","0.0018","4.8298","0.0006","10.9546","0.0014","90","","90","","90","","756.02","0.17","85","2","85","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[2-BrPyH][I]","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan","The nature of halogen...halide synthons: theoretical and crystallographic studies.","The journal of physical chemistry. A","2007","111","12","2319","2328","10.1021/jp0660684","","","0.71073","MoKα","","0.0281","0.0272","","","0.0648","0.0651","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516673","15.913","0.006","11.398","0.004","6.921","0.002","90","","90","","90","","1255.3","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H8 O2 S -","- C18 H8 O2 S -","- C72 H32 O8 S4 -","4","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","0.71073","MoKα","","0.096","0.0529","","","0.1001","0.1145","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516814","28.94","0.009","5.9109","0.0015","9.179","0.003","90","","90","","90","","1570.2","0.8","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","0.71075","MoKα","","","0.0353","","","","0.0859","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516893","43.8503","0.0011","10.3313","0.0002","24.2758","0.0006","90","","90","","90","","10997.7","0.4","173","2","173","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","12","12","","- C58 H86 O3 Si4 U2 -","- C53 H85.5 O3 Si4 U2 -","- C424 H684 O24 Si32 U16 -","8","2","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0626","0.0449","","","0.0736","0.0794","","","","","","1.025","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1516941","33.552","0.007","11.631","0.002","30.295","0.006","90","","90","","90","","11822","4","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C113 H116 Cu9 N28 O21 -","- C113 H116 Cu9 N28 O21 -","- C452 H464 Cu36 N112 O84 -","4","1","","Dongcheng Liu; Zilu Chen; Wanyun Huang; Suni Qin; Liping Jiang; Suping Zhou; Fupei Liang","Metal clusters constructed by dihydrazide ligand: Synthesis, structure and magnetic properties","Inorganica Chimica Acta","2013","400","","179","183","","","","0.71073","MoKα","","0.0926","0.0853","","","0.2231","0.2325","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516962","11.3509","0.0002","16.7012","0.0003","7.4757","0.0001","90","","90","","90","","1417.2","0.04","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H19 N Ni O8 -","- C11 H19 N Ni O8 -","- C44 H76 N4 Ni4 O32 -","4","1","","Smrečki, Neven; Kukovec, Boris-Marko; Đaković, Marijana; Popović, Zora","Nickel(II) complexes with N‒aralkyliminodiacetic acids: preparation, spectroscopic, structural and thermal characterization","Inorganica Chimica Acta","2013","400","","122","129","","","","0.71073","MoKα","","0.041","0.0275","","","0.0585","0.0613","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517041","15.91","0.005","8.949","0.003","13.459","0.004","90","","90","","90","","1916.3","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H22 N4 O5 Zn -","- C16 H22 N4 O5 Zn -","- C64 H88 N16 O20 Zn4 -","4","1","","Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang","A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane","Inorganica Chimica Acta","2013","402","","25","32","","","","0.71073","MoKα","","0.0432","0.0399","","","0.1079","0.1108","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517180","14.959","0.005","4.722","0.005","26.639","0.005","90","","90","","90","","1882","2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H8 O S -","- C12 H8 O S -","- C96 H64 O8 S8 -","8","2","","Zhong, Yanzhen; Yuan, Linxin; Huang, Zheng; Gu, Wenchao; Shao, Ye; Han, Wei","Unexpected hydrazine hydrate-mediated aerobic oxidation of aryl/ heteroaryl boronic acids to phenols in ambient air","RSC Adv.","2014","4","63","33164","33167","10.1039/C4RA05589F","","","0.71069","MoKα","","0.0397","0.0352","","","0.0873","0.0904","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1517253","25.7585","0.0006","10.3249","0.0002","9.5675","0.0002","90","","90","","90","","2544.51","0.09","293","2","293","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C116 H132 N12 O8 -","4","1","","Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann","Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles.","Organic letters","2014","16","16","4126","4129","10.1021/ol5018245","","x-ray","0.71073","MoKα","","0.1115","0.0609","","","0.1398","0.1818","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517874","18.7588","0.0008","6.5778","0.0003","14.1509","0.0006","90","","90","","90","","1746.1","0.13","123","1","123","1","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C13 H21 Fe P5 -","- C13 H21 Fe P5 -","- C52 H84 Fe4 P20 -","4","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","1.54178","CuKα","","0.051","0.0427","","","0.091","0.0929","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517921","12.816","0.001","7.3282","0.0006","17.716","0.002","90","","90","","90","","1663.9","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Boron nitrogen hydroxide","","","- C8 H14 B N O -","- C8 H14 B N O -","- C64 H112 B8 N8 O8 -","8","2","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.0663","0.0519","","","0.1008","0.1074","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518010","16.9537","0.0003","8.6396","0.0002","29.8296","0.0005","90","","90","","90","","4369.24","0.15","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H20 O7 -","- C27 H20 O7 -","- C216 H160 O56 -","8","2","","Zhao, Si-Meng; Wang, Zhe; Zeng, Guang-Zhi; Song, Wei-Wu; Chen, Xiao-Qiang; Li, Xiao-Nian; Tan, Ning-Hua","New Cytotoxic Naphthohydroquinone Dimers from Rubia alata.","Organic letters","2014","16","21","5576","5579","10.1021/ol502603f","","","1.54178","CuKα","","0.1175","0.116","","","0.2608","0.2636","","","","","","1.221","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518019","25.2527","0.0004","13.9068","0.0002","24.7327","0.0005","90","","90","","90","","8685.7","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H66 Al Cl5 P2 Pb Pt -","- C36 H66 Al Cl5 P2 Pb Pt -","- C288 H528 Al8 Cl40 P16 Pb8 Pt8 -","8","2","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0444","0.038","","","0.08","0.0821","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518138","15.4467","0.0014","16.2308","0.0015","7.0318","0.0006","90","","90","","90","","1763","0.3","100","1","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C88 H88 N8 O12 -","4","1","","Denizot, Natacha; Pouilhès, Annie; Cucca, Mélissa; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Bioinspired direct access to benzofuroindolines by oxidative [3 + 2] annulation of phenols and indoles.","Organic letters","2014","16","21","5752","5755","10.1021/ol502820p","","x-ray","0.71073","MoKα","","0.1413","0.0663","","","0.1174","0.1416","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518218","22.3204","0.0012","11.4097","0.0005","7.0554","0.0003","90","","90","","90","","1796.79","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20.62 H17.23 Au Cl1.23 N O -","- C20.617 H17.234 Au Cl1.234 N O -","- C82.468 H68.936 Au4 Cl4.936 N4 O4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0336","0.0281","","","0.0623","0.0655","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518462","24.0183","0.0013","11.2598","0.0006","7.4174","0.0004","90","","90","","90","","2005.97","0.19","123","","123","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H21 Br N2 O3 S -","- C21 H21 Br N2 O3 S -","- C84 H84 Br4 N8 O12 S4 -","4","1","","Arai, Noriyoshi; Mizota, Moe; Ohkuma, Takeshi","Stereoselective preparation of spiro[4.4] cyclic compounds by the photochemical activation of oxazoles.","Organic letters","2015","17","1","86","89","10.1021/ol5032848","","","0.71075","MoKα","","","0.0395","","","","0.097","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518494","12.7796","0.0003","13.8018","0.0004","18.4448","0.0005","90","","90","","90","","3253.32","0.15","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C144 H160 N16 O16 S8 -","8","2","","Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido","N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes.","Organic letters","2015","17","2","254","257","10.1021/ol503338b","","","1.54178","CuKα","","0.0317","0.0283","","","0.0711","0.0731","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518564","7.6677","0.001","10.2755","0.0013","19.816","0.003","90","","90","","90","","1561.3","0.4","88","2","88","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H14 Br N -","- C21 H14 Br N -","- C84 H56 Br4 N4 -","4","1","","Dibble, David J.; Umerani, Mehran J.; Mazaheripour, Amir; Park, Young S.; Ziller, Joseph W.; Gorodetsky, Alon A.","An Aza-Diels‒Alder Route to Polyquinolines","Macromolecules","2015","48","3","557","","10.1021/ma5020726","","","0.71073","MoKα","","0.0183","0.0177","","","0.046","0.0463","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518733","28.5983","0.0012","8.3343","0.0004","7.7428","0.0003","90","","90","","90","","1845.47","0.14","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Kim, Hiyoung; Yang, Inho; Ryu, Shin-Young; Won, Dong Hwan; Giri, Awadut G.; Wang, Weihong; Choi, Hyukjae; Chin, Jungwook; Hahn, Dongyup; Kim, Eunhee; Han, Chulkyeong; Lee, Jihye; Nam, Sang-Jip; Ho, Won-Kyung; Kang, Heonjoong","Acredinones A and B, Voltage-Dependent Potassium Channel Inhibitors from the Sponge-Derived Fungus Acremonium sp. F9A015.","Journal of natural products","2015","78","3","363","367","10.1021/np5007586","","","0.71073","MoKα","","0.093","0.0474","","","0.1038","0.1605","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518841","17.6285","0.00016","10.81736","0.0001","30.9896","0.0003","90","","90","","90","","5909.53","0.1","120","1","120","1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C28 H33 F3 N3 O3 P S Zr -","- C28 H33 F3 N3 O3 P S Zr -","- C224 H264 F24 N24 O24 P8 S8 Zr8 -","8","2","","Sietzen, Malte; Batke, Sonja; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Phospha Derivatives of Tris(2-aminoethyl)amine (tren) and Tris(3-aminopropyl)amine (trpn): Synthesis and Complexation Studies with Group 4 Metals","Organometallics","2015","34","6","1118","","10.1021/acs.organomet.5b00065","","x-ray","0.71073","MoKα","","0.0583","0.0552","","","0.1205","0.1216","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518847","13.2773","0.001","19.3218","0.0016","14.0515","0.0011","90","","90","","90","","3604.8","0.5","165","2","165","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","μ hydroxo-μ oximato-O-(4,4-dimethyl-8-ethyl-5,8-diazaoctan-2-one oxime κ^3^-N,N',N"")copper(II) (4,4-dimethyl-8-ethyl-5,8-diazaoctan-2- one oximato κ^3^ N,N'N"")copper(II) diperchlorate","","- C24 H54 Cl2 Cu2 N6 O11 -","- C24 H54 Cl2 Cu2 N6 O11 -","- C96 H216 Cl8 Cu8 N24 O44 -","4","1","","Neil F. Curtis; Kelly Flood; Ward T. Robinson","An asymmetrical dinuclear copper(II) beta-amino-oxime/oximato-diamine compound with Cu-(OH)-Cu and Cu-(N-O)-Cu bridging; [Cu2(detenoxH)(detenox)(OH)](ClO4)2 (detenoxH = 4,4-dimethyl-7-(N,N-diethylamine)-5-azaheptan-2-one oxime)","Inorganica Chimica Acta","2015","424","","173","175","","","","0.71073","MoKα","","0.0401","0.033","","","0.0725","0.0751","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518990","14.4427","0.0008","6.5207","0.0004","16.6673","0.0008","90","","90","","90","","1569.67","0.15","291","2","291.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H17 O P Si -","- C17 H17 O P Si -","- C68 H68 O4 P4 Si4 -","4","1","","Xu, Youzhi; Wang, Zhihua; Gan, Zhenjie; Xi, Qiuzhen; Duan, Zheng; Mathey, François","Versatile synthesis of phospholides from open-chain precursors. Application to annelated pyrrole- and silole-phosphole rings.","Organic letters","2015","17","7","1732","1734","10.1021/acs.orglett.5b00598","","","1.54184","CuKα","","0.044","0.0388","","","0.0996","0.1053","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519309","16.4355","0.0003","13.0381","0.0002","6.5149","0.0001","90","","90","","90","","1396.06","0.04","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","","Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B.","C16H14O7","Crystal Structure Report Archive","2001","","","727","","","","","0.71073","MoKα","","0.0394","0.0353","","","0.092","0.0956","","","","","","0.889","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519460","17.1687","0.0003","6.0927","0.0001","18.4778","0.0004","90","","90","","90","","1932.85","0.06","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C88 H112 N8 O8 -","4","1","","Wood, Mark E.; Coles, Simon J.; Hursthouse, Michael B.","C11H14NO","Crystal Structure Report Archive","2002","","","896","","","","","0.71073","MoKα","","0.0559","0.0407","","","0.1057","0.1156","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519530","35.283","0.005","8.364","0.001","10.721","0.002","90","","90","","90","","3163.8","0.8","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C38 H40 O4 -","- C38 H40 O4 -","- C152 H160 O16 -","4","1","","Butler, Ian. R.; Horton, Peter N.; Hursthouse, Michael B.","C38H40O4","Crystal Structure Report Archive","2003","","","1008","","","","","0.71073","MoKα","","0.0634","0.054","","","0.1352","0.1429","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519675","16.1674","0.001","4.1334","0.0003","9.0094","0.0006","90","","90","","90","","602.07","0.07","180.1","0.2","180.1","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Iodo-N-methyl-propiolamide","","- C4 H4 I N O -","- C4 H4 I N O -","- C16 H16 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0253","0.0232","","","0.0528","0.0547","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519886","15.6207","0.0004","5.3929","0.0001","8.6541","0.0002","90","","90","","90","","729.03","0.03","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Methylanilinium chloride","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C28 H40 Cl4 N4 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","2-Methylaniliniumchloride","Crystal Structure Report Archive","2008","","","696","","","","","0.71073","MoKα","","0.0219","0.0215","","","0.0529","0.0532","","","","","","1.115","","","","has coordinates","137219","2020-10-21","18:00:00",""
"1520293","14.2564","0.0005","4.6063","0.0002","10.7577","0.0003","90","","90","","90","","706.45","0.04","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br2 N -","- C5 H5 Br2 N -","- C20 H20 Br8 N4 -","4","1","","Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V.","Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies.","The journal of physical chemistry. A","2015","119","18","4108","4117","10.1021/acs.jpca.5b02102","","","0.71073","MoKα","","0.0308","0.0256","","","0.0548","0.0572","","","","","","1.067","","","","has coordinates","138011","2020-10-21","18:00:00",""
"1520342","11.738","0.002","12.134","0.0009","15.537","0.002","90","","90","","90","","2212.9","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H14 O3 S2 -","- C10 H14 O3 S2 -","- C80 H112 O24 S16 -","8","2","","Coles, Simon J.; Hursthouse, Michael B.; Lamond, Steven J.","C10H14O3S2","Crystal Structure Report Archive","2009","","","822","","","","","0.71073","MoKα","","0.0602","0.0576","","","0.1405","0.1412","","","","","","1.161","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520446","18.773","0.002","7.8448","0.0005","20.3148","0.0019","90","","90","","90","","2991.8","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H15 N O2 S2 -","- C16 H15 N O2 S2 -","- C128 H120 N8 O16 S16 -","8","2","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","0.71073","MoKα","","0.1094","0.0928","","","0.2179","0.2402","","","","","","1.086","","","","has coordinates","141405","2020-10-21","18:00:00",""
"1520705","17.651","0.0003","15.5231","0.0003","13.7865","0.0003","90","","90","","90","","3777.48","0.13","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C176 H176 N16 O24 -","8","2","","Dörr, Aurélie A; Lubell, William D.","γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate.","Organic letters","2015","17","14","3592","3595","10.1021/acs.orglett.5b01679","","x-ray","1.54178","CuKα","","0.0345","0.0342","","","0.0932","0.0936","","","","","","1.042","","","","has coordinates,has disorder","154784","2020-10-21","18:00:00",""
"1521066","9.7471","","4.6794","","8.5929","","90","","90","","90","","391.927","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Be (H As O4) (H2 O)","","- As Be H3 O5 -","- As Be O5 -","- As4 Be4 O20 -","4","1","","Gier, T.E.; Stucky, G.D.; Bu Xianhui; Harrison, W.T.A.","Tetrahedral networks containing beryllium: syntheses and structures of Be3 (P O4)2 . 2(H2 O) and Be (H As O4) . (H2 O)","Journal of Solid State Chemistry","1999","146","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521168","7.73808","","9.58698","","16.58949","","90","","90","","90","","1230.69","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","(V O)2 (P2 O7)","","- O9 P2 V2 -","- O9 P2 V2 -","- O72 P16 V16 -","8","2","","Hiroi, Z.; Ikeda, T.; Azuma, M.; Saito, T.; Takano, M.; Fujishiro, Y.; Izumi, F.; Kamiyama, T.","Structural study of the quantum-spin chain compound (V O)2 P2 O7","Journal of Solid State Chemistry","1999","146","","369","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","140835","2020-10-21","18:00:00",""
"1524121","12.63","","5.288","","7.54","","90","","90","","90","","503.577","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Zn F2 (H2 O)4","","- F2 H8 O4 Zn -","- F2 H8 O4 Zn -","- F8 H32 O16 Zn4 -","4","1","","Bukvetskii, B.V.; Polishchuk, S.A.; Simonov, V.I.","Crystal structure of zinc fluoride tetrahydrate, Zn F2 (H2 O)4","Kristallografiya","1973","18","","956","960","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524748","12.507","","6.317","","12.371","","90","","90","","90","","977.392","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","K3 W O S3 Cl","","- Cl K3 O S3 W -","- Cl K3 O S3 W -","- Cl4 K12 O4 S12 W4 -","4","1","","Krebs, B.; Buss, B.; Ferwahnah, A.","Die Kristallstruktur von Kalium-trithiowolframat-chlorid K3 (W O S3) Cl","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","387","","142","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525806","9.022","","5.288","","8.623","","90","","90","","90","","411.389","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(N H4) Li Be F4","","- Be F4 H4 Li N -","- Be F4 H4 Li N -","- Be4 F16 H16 Li4 N4 -","4","1","","Chung, S.J.; Hahn, T.","Tetrahedral-framework structures of (N H4) Li Be F4 and Cs Li Be F4","Materials Research Bulletin","1972","7","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526679","16.253","","5.0529","","8.2469","","90","","90","","90","","677.275","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Li (N H2 S O3)","","- H2 Li N O3 S -","- H2 Li N O3 S -","- H16 Li8 N8 O24 S8 -","8","2","","Stade, J.; Bohaty, L.; Held, P.","Crystal growth, crystal structure and physical properties of lithium sulfamate Li (N H2 S O3)","Crystal Research and Technology","2001","36","","347","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529178","9.5477","","9.904","","10.1919","","90","","90","","90","","963.75","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Na9 (Co2 O7)","","- Co2 Na9 O7 -","- Co2 Na9 O7 -","- Co8 Na36 O28 -","4","1","","Sofin, M.; Jansen, M.; Peters, E.M.","Synthesis, structure and magnetic properties of Na9 Co2 O7, a new mixed-valent sodium cobaltate(II, III)","Solid State Sciences","2004","6","","339","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","152241","2020-10-21","18:00:00",""
"1529297","17.119","0.003","11.491","0.0018","37.818","0.006","90","","90","","90","","7439","2","163","2","163","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H54 Cl Cr N2 O6 -","- C38 H54 Cl Cr N2 O6 -","- C304 H432 Cl8 Cr8 N16 O48 -","8","2","","Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.","Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates","Polym. Chem.","2015","6","35","6305","","10.1039/C5PY01028D","","","0.71075","MoKα","","0.0477","0.0446","","","0.1133","0.1177","","","","","","1.068","","","","has coordinates","155248","2020-10-21","18:00:00",""
"1529305","18.8855","0.0012","7.9784","0.0006","11.2136","0.0006","90","","90","","90","","1689.62","0.19","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Feghali, Elias; Carrot, Géraldine; Thuéry, Pierre; Genre, Caroline; Cantat, Thibault","Convergent reductive depolymerization of wood lignin to isolated phenol derivatives by metal-free catalytic hydrosilylation","Energy Environ. Sci.","2015","8","9","2734","","10.1039/C5EE01304F","","","0.71073","MoKα","","0.0378","0.0327","","","0.0793","0.0815","","","","","","1.079","","","","has coordinates","161987","2020-10-21","18:00:00",""
"1529947","10.4593","","5.2314","","14.4597","","90","","90","","90","","791.188","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Na1.8 (Ga0.2 Zn0.8) (Si O4)","","- Ga0.2 Na1.8 O4 Si Zn0.8 -","- Ga0.2 Na1.8 O4 Si Zn0.8 -","- Ga1.6 Na14.4 O32 Si8 Zn6.4 -","8","2","","Frostaeng, S.; Werner, P.E.","Rietveld Profile Refinement of the Sodium Ion Conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4","Materials Research Bulletin","1989","24","","833","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529948","10.6366","","5.3289","","14.7905","","90","","90","","90","","838.346","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Na1.8 (Ga0.2 Zn0.8) (Ge O4)","","- Ga0.2 Ge Na1.8 O4 Zn0.8 -","- Ga0.2 Ge Na1.8 O4 Zn0.8 -","- Ga1.6 Ge8 Na14.4 O32 Zn6.4 -","8","2","","Frostaeng, S.; Werner, P.E.","Rietveld Profile Refinement of the Sodium Ion Conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4","Materials Research Bulletin","1989","24","","833","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529949","9.866","","4.911","","13.888","","90","","90","","90","","672.9","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Na2 Be (Si O4)","","- Be Na2 O4 Si -","- Be Na2 O4 Si -","- Be8 Na16 O32 Si8 -","8","2","","Frostaeng, S.; Werner, P.E.","Rietveld profile refinement of the sodium ion conductors Na1.8 (Ga.2 Zn.8) Si O4 and Na1.8 (Ga.2 Zn.8) Ge O4","Materials Research Bulletin","1989","24","","833","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530008","20.504","","9.758","","8.49","","90","","90","","90","","1698.66","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Zr (P O3)4","","- O12 P4 Zr -","- O12 P4 Zr -","- O96 P32 Zr8 -","8","2","","Gorbunova, Yu.E.; Ilyukhin, V.V.; Lavrov, A.V.; Kuznetsova, V.G.; Linde, S.A.","Structure of the rhombic modification of the zirconium polyphosphate Zr (P O3)4-II","Doklady Akademii Nauk SSSR","1977","234","","628","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530370","15.9","","4.683","","9.322","","90","","90","","90","","694.113","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Li Na (Ge4 O9)","","- Ge4 Li Na O9 -","- Ge4 Li Na O9 -","- Ge16 Li4 Na4 O36 -","4","1","","Matveeva, R.G.; Ilyukhin, V.V.; Belov, N.V.","The crystal structure of compound alkaline tetragermanate","Doklady Akademii Nauk SSSR","1973","213","","584","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530396","12.3629","0.0016","12.8888","0.0019","13.1011","0.0018","90","","90","","90","","2087.6","0.5","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Marriott, Katie E. R.; Bhaskaran, Lakshmi; Wilson, Claire; Medarde, Marisa; Ochsenbein, Stefan T.; Hill, Stephen; Murrie, Mark","Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii)","Chem. Sci.","2015","6","12","6823","","10.1039/C5SC02854J","","","0.71073","MoKα","","0.0543","0.0438","","","0.0949","0.1","","","","","","1.067","","","","has coordinates","170958","2020-10-21","18:00:00",""
"1530602","15.073","","7.215","","20.045","","90","","90","","90","","2179.93","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Co (O C (N H2)2)6 (H2 O) S O4","","- C6 H26 Co N12 O11 S -","- C6 Co N12 O11 S -","- C24 Co4 N48 O44 S4 -","4","1","","Ponomarenko, V.I.; Kurkutova, E.N.; Porai-Koshits, M.A.; Sulaimankulov, K.","The crystal structure of cobalt sulfate hexacarbamide","Doklady Akademii Nauk SSSR","1977","234","","1074","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530740","12.77","","6.715","","11.53","","90","","90","","90","","988.704","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","U O3 (Mo O3)2 (H2 O)3","","- H6 Mo2 O12 U -","- Mo2 O12 U -","- Mo8 O48 U4 -","4","1","","Serezhkin, V.N.; Chuvaev, V.F.; Kovba, L.M.; Trunov, V.K.","The structure of the synthetic iriginite","Doklady Akademii Nauk SSSR","1973","210","","873","876","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530868","5.4896","","16.22658","","5.5131","","90","","90","","90","","491.093","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi8 Mo4 O24 -","4","1","","Theobald, F.R.; Laarif, A.; Hewat, A.W.","The structure of Koechlinite bismuth molybdate. A controversy resolved by neutron diffraction","Ferroelectrics","1984","56","","219","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531884","25.393","","6.735","","11.496","","90","","90","","90","","1966.07","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Rb (U O2 (S O4) F)","","- F O6 Rb S U -","- F O6 Rb S U -","- F12 O72 Rb12 S12 U12 -","12","3","","Mikhailov, Yu.N.; Gorbunova, Yu.E.; Serezhkin, V.N.; Mit'kovskaya, E.V.; Serezhkina, L.B.","Crystal structure of Rb (U O2 (S O4) F)","Radiokhimiya","2002","44","","290","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534067","20.133","","11.695","","7.154","","90","","90","","90","","1684.45","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(U O2) ((U O2) (As O4))2 (H2 O)5","","- As2 H10 O19 U3 -","- As2 O19 U3 -","- As8 O76 U12 -","4","1","","Locock, A.J.; Burns, P.C.","Structures and syntheses of framework triuranyl diarsenate hydrates","Journal of Solid State Chemistry","2003","176","","18","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534118","16.6564","0.0006","5.4719","0.0002","39.3699","0.0015","90","","90","","90","","3588.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H18 F3 N3 O2 -","- C20 H18 F3 N3 O2 -","- C160 H144 F24 N24 O16 -","8","2","","Chung, Tim S.; Lopez, Steven A.; Houk, K. N.; Garcia-Garibay, Miguel A","Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of Δ(2)-1,2,3-Triazolines.","Organic letters","2015","17","18","4568","4571","10.1021/acs.orglett.5b02290","","","1.54178","CuKα","","0.0867","0.0719","","","0.1785","0.1912","","","","","","1.039","","","","has coordinates","160470","2020-10-21","18:00:00",""
"1534542","9.5618","","9.991","","10.3226","","90","","90","","90","","986.138","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Na9 (Fe O3) (Fe O4)","","- Fe2 Na9 O7 -","- Fe2 Na9 O7 -","- Fe8 Na36 O28 -","4","1","","Amann, P.; Moeller, A.","Na9 (Fe O3) (Fe o4) ein gemischtvalentes Oxoferrat(II,III) mit isolierten (Fe O3)(4-) und (Fe O4)(5-) Anionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","917","919","","","","","","","","","","","","","","","","","","","","","","has coordinates","161353","2020-10-21","18:00:00",""
"1534893","5.417","","5.417","","5.417","","90","","90","","90","","158.956","","","","","","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","1","","Bayliss, P.","Crystal chemistry and crystallography of some minerals within the pyrite group","American Mineralogist","1989","74","","1168","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535378","11.157","","11.002","","19.178","","90","","90","","90","","2354.09","","","","","","","","","","","","","2","P c a 21","P 2c -2ac","29","","(Sb2 F5) (Sb3 F7) (Sb F6)3","","- F30 Sb8 -","- F30 Sb8 -","- F120 Sb32 -","4","1","","Minkwitz, R.; Nowicki, J.","Kristallstruktur einer neuen Modifikation von Sb8F30","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","605","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","162705","2020-10-21","18:00:00",""
"1535449","9.414","","15.929","","10.18","","90","","90","","90","","1526.55","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","(N O) Mn (N O3)3","","- Mn N4 O10 -","- Mn N4 O10 -","- Mn8 N32 O80 -","8","2","","Tikhomirov, G.A.; Znamenkov, K.O.; Kemnitz, E.; Morozov, I.V.; Troyanov, S.I.","Anhydrous nitrates and nitrosonium nitratometallates of manganese and cobalt, M (N O3)2, N O (Mn (N O3)3), and (N O)2 (Co (N O3)4): synthesis and crystal structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","269","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535491","13.238","","6.747","","9.121","","90","","90","","90","","814.658","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Cs O H (H2 O)2","","- Cs H5 O3 -","- Cs H5 O3 -","- Cs8 H40 O24 -","8","2","","Mootz, D.; Ruetter, H.","Hydrate schwacher und starker Basen. VII: Zum System Caesiumhydroxid-Wasser: Die Kristallstrukturen von CsOH*2H2O und CsOH*3H2O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","608","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535664","13.396","","7.728","","11.669","","90","","90","","90","","1208.03","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(N H4)2 (Zr F6)","","- F6 H8 N2 Zr -","- F6 H8 N2 Zr -","- F48 H64 N16 Zr8 -","8","2","","Bukvetskii, B.V.; Davidovich, R.L.; Gerasimenko, A.V.","Crystal structures of ammonium fluorozirconates N H4 Zr F5 * 0.75 H2 O and (N H4)2 Zr F6","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536108","17.345","","9.256","","11.946","","90","","90","","90","","1917.87","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ba2 As2 S5","","- As2 Ba2 S5 -","- As2 Ba2 S5 -","- As16 Ba16 S40 -","8","2","","Cordier, G.; Schwidetzky, C.; Schaefer, H.","Darstellung und Struktur von Ba2 As2 S5","Revue de Chimie Minerale","1983","20","","877","883","","","","","","","","","","","","","","","","","","","","","","has coordinates","163709","2020-10-21","18:00:00",""
"1536435","12.5605","","10.0189","","13.301","","90","","90","","90","","1673.83","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Mo3 N2 Cl11","","- Cl11 Mo3 N2 -","- Cl11 Mo3 N2 -","- Cl44 Mo12 N8 -","4","1","","Dinh, Q.T.; Richter, M.; Straehle, J.; Niquet, E.","Synthese und Struktur von Mo2 N Cl8 und Mo3 N2 Cl11","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1921","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","164143","2020-10-21","18:00:00",""
"1536487","23.422","","7.196","","10.082","","90","","90","","90","","1699.27","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ce6 (Si4 O13) (Si O4)2","","- Ce6 O21 Si6 -","- Ce6 O21 Si6 -","- Ce24 O84 Si24 -","4","1","","Kepinski, L.; Wocyrz, M.; Marchewka, M.","Structure evolution of nanocrystalline Ce O2 supported on silica: effect of temperature and atmosphere","Journal of Solid State Chemistry","2002","168","","110","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","164208","2020-10-21","18:00:00",""
"1536525","6.022","","4.725","","5.195","","90","","90","","90","","147.818","","","","","","","","","","","","","2","P c a 21","P 2c -2ac","29","","Mo1.93 C0.96","","- C0.96 Mo1.93 -","- C0.96 Mo1.93 -","- C3.84 Mo7.72 -","4","1","","Khaenko, B.V.; Gnitetskii, O.A.; Kublii, V.Z.","Structure of ordered carbide beta'-Mo2 C: results of single crystal diffraction study.","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki","1991","1991","","78","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","164264","2020-10-21","18:00:00",""
"1537571","9.364","","7.458","","19.56","","90","","90","","90","","1366.01","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","K2 H8 (P O4)2 P2 O7","","- H8 K2 O15 P4 -","- H8 K2 O15 P4 -","- H32 K8 O60 P16 -","4","1","","Larbot, A.; Norbert, A.; Durand, J.","Sur l'Existence d'un Intermediaire Reactionnel Entre Phosphate et Pyrophosphate Acide de Potassium: Cas de K2 H8 (P O4)2 P2 O7","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","486","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","165811","2020-10-21","18:00:00",""
"1540453","19.788","0.0017","6.095","0.0006","12.5928","0.0008","90","","90","","90","","1518.8","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Adduct of N-methylimidazole and 4-(benzo[d][1,3,2]dioxaborol-2-yl)benzonitrile","","- C17 H14 B N3 O2 -","- C17 H14 B N3 O2 -","- C68 H56 B4 N12 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.039","0.0345","","","0.0824","0.0861","","","","","","1.061","","","","has coordinates","176210","2020-10-21","18:00:00",""
"1540603","7.6982","0.0002","5.5273","0.0002","29.041","0.0008","90","","90","","90","","1235.7","0.06","147","2","147","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H12 B N3 O -","- C15 H12 B N3 O -","- C60 H48 B4 N12 O4 -","4","1","","Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K.","Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach.","Organic letters","2015","17","22","5594","5597","10.1021/acs.orglett.5b02741","","","1.54178","CuKα","","0.0399","0.0384","","","0.0961","0.0968","","","","","","1.196","","","","has coordinates","170753","2020-10-21","18:00:00",""
"1540620","16.1272","0.0015","8.2497","0.0008","17.782","0.0016","90","","90","","90","","2365.8","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H26 O3 S -","- C30 H26 O3 S -","- C120 H104 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.0475","0.0371","","","0.0808","0.0863","","","","","","1.026","","","","has coordinates","170768","2020-10-21","18:00:00",""
"1541213","21.88","","6.762","","7.426","","90","","90","","90","","1098.7","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Cs2 Zn (N3)4","","- Cs2 N12 Zn -","- Cs2 N12 Zn -","- Cs8 N48 Zn4 -","4","1","","Mautner, F.A.; Krischner, H.","Verfeinerung der Kristallstruktur des Dicaesium-TetraazidoZinkates Cs2Zn(N3) und die Kristallstrukturen komplexer Zinkazide.","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1990","121","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541748","17.868","","4.934","","13.426","","90","","90","","90","","1183.65","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Tl Ba2 (N O2)5","","- Ba2 N5 O10 Tl -","- Ba2 N5 O10 Tl -","- Ba8 N20 O40 Tl4 -","4","1","","Gasparri, G.F.; Nardelli, M.; Fermi, F.","Structural research on non-transition metal double nitrites. Crystal structure, optical absorption and emission of Tl Ba2 (N O2)5","Proceedings of the Indian Academy of Sciences, Serie: Chem. Sci.","1984","93","","283","293","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541761","13.379","","16.943","","25.973","","90","","90","","90","","5887.57","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","(In2 Sn2 S8) (C6 H15 N3)","","- In2 S8 Sn2 -","- In2 S8 Sn2 -","- In16 S64 Sn16 -","8","2","","Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","173236","2020-10-21","18:00:00",""
"1541858","7.5073","","15.3692","","7.5073","","90","","90","","90","","866.201","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Cd (N O3)2","","- Cd N2 O6 -","- Cd N2 O6 -","- Cd8 N16 O48 -","8","2","","Louer, M.; Louer, D.; Grandjean, D.","Structure cristalline et polymorphisme du nitrate de cadmium anhydre","Journal of Solid State Chemistry","1976","17","","231","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541913","16.204","0.003","10.0147","0.0017","11.186","0.002","90","","90","","90","","1815.2","0.6","193","2","193","2","","","","","","","Schomaker Lab No. NCG2072","6","P c a 21","P 2c -2ac","29","","1-((4S,5R)-5-((tert-butyldimethylsilyl)oxy)-4-ethynyl-2,2-dioxido- 1,2,3-oxathiazepan-4-yl)ethanone","","- C14 H25 N O5 S Si -","- C14 H25 N O5 S Si -","- C56 H100 N4 O20 S4 Si4 -","4","1","","Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M.","Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy.","Organic letters","2016","18","2","284","287","10.1021/acs.orglett.5b03453","","x-ray","1.54184","CuKα","K-L~3~","0.0333","0.033","","","0.0919","0.0921","","","","","","1.125","","","","has coordinates","175821","2020-10-21","18:00:00",""
"1542534","18.7959","0.0005","22.7469","0.0005","8.0182","0.0002","90","","90","","90","","3428.17","0.15","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","2","","Kischkewitz, Marvin; Daniliuc, Constantin-Gabriel; Studer, Armido","3-Alkylperoxy-3-cyano-oxindoles from 2-Cyano-2-diazo-N-phenyl-acetamides via Cyclizing Carbene Insertion and Subsequent Radical Oxidation.","Organic letters","2016","18","5","1206","","10.1021/acs.orglett.6b00367","","","1.54178","CuKα","","0.0647","0.041","","","0.0884","0.097","","","","","","1.027","","","","has coordinates","177450","2020-10-21","18:00:00",""
"1542900","9.8022","0.0006","14.9047","0.0009","12.643","0.0007","90","","90","","90","","1847.13","0.19","173","2","173.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","2-(naphthalen-1-yl)ethanol","2-(Naphthalen-1-yl)ethanol","","- C12 H12 O -","- C12 H12 O -","- C96 H96 O8 -","8","2","HB4026","Garozzo, Lee Ann; Nazarenko, Alexander Y.","2-(Naphthalen-1-yl)ethanol","IUCrData","2016","1","3","x160423","","10.1107/S2414314616004235","","","1.54178","CuKα","","0.0286","0.0282","","","0.0732","0.0735","","","","","","1.038","","","","has coordinates,has Fobs","178349","2020-10-21","18:00:00",""
"1542935","20.9334","0.0017","10.2009","0.0008","9.0493","0.0007","90","","90","","90","","1932.4","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone","","- C22 H20 Cl2 N2 O -","- C22 H20 Cl2 N2 O -","- C88 H80 Cl8 N8 O4 -","4","1","HB4029","Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Akhilesh Bairy, Kurady; Shivashankarappa Sunil, Madhugiri","1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone","IUCrData","2016","1","3","x160474","","10.1107/S2414314616004740","","","0.71073","MoKα","","0.0597","0.0409","","","0.0862","0.0939","","","","","","1.051","","","","has coordinates,has Fobs","179697","2020-10-21","18:00:00",""
"1543045","29.815","0.016","4.718","0.002","8.617","0.005","90","","90","","90","","1212.1","1.1","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C56 H48 N16 O8 -","4","1","","Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar","The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity.","Journal of natural products","2016","79","4","1219","1222","10.1021/acs.jnatprod.6b00057","","","0.71073","MoKα","","0.0823","0.0569","","","0.125","0.1327","","","","","","1.042","","","","has coordinates","183580","2020-10-21","18:00:00",""
"1543054","11.8577","0.0003","7.01486","0.00016","8.68032","0.00019","90","","90","","90","","722.03","0.03","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","myo-inositol","cis-1,2,3,5-trans-4,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.174","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543216","22.7748","0.0019","6.0842","0.0005","16.1449","0.0016","90","","90","","90","","2237.1","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N O7 -","- C24 H27 N O7 -","- C96 H108 N4 O28 -","4","1","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1212","0.0521","","","0.1105","0.1506","","","","","","0.98","","","","has coordinates","184956","2020-10-21","18:00:00",""
"1543398","19.0121","0.0008","4.9106","0.0002","14.288","0.0006","90","","90","","90","","1333.94","0.1","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Senadi, Gopal Chandru; Gore, Babasaheb Sopan; Hu, Wan-Ping; Wang, Jeh-Jeng","BF3-Etherate-Promoted Cascade Reaction of 2-Alkynylanilines with Nitriles: One-Pot Assembly of 4-Amido-Cinnolines.","Organic letters","2016","18","12","2890","2893","10.1021/acs.orglett.6b01207","","x-ray","0.71073","MoKα","","0.0464","0.0341","","","0.0748","0.0816","","","","","","1.038","","","","has coordinates","184965","2020-10-21","18:00:00",""
"1543536","33.4769","0.0017","7.4977","0.0003","9.7916","0.0004","90","","90","","90","","2457.69","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","2","SJ4047","Naas, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole","IUCrData","2016","1","6","x160961","","10.1107/S2414314616009615","","","0.71073","MoKα","","0.0906","0.049","","","0.1101","0.13","","","","","","1.01","","","","has coordinates,has Fobs","183953","2020-10-21","18:00:00",""
"1543610","17.109","0.0003","15.7941","0.0002","13.2947","0.0002","90","","90","","90","","3592.51","0.09","238","2","238","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H52 Cl2 Cu N4 O8 -","- C36 H52 Cl2 Cu N4 O8 -","- C144 H208 Cl8 Cu4 N16 O32 -","4","1","","Shin-Geol Kang; Yun-Taek Lee; Hyungphil Chun; Kimoon Kim","Synthesis of new structurally constrained tetraaza macropolycyclic compounds containing two rigid bridges: Crystal structure and chemical properties of a copper(II) complex","Inorganica Chimica Acta","2014","","","315","319","10.1016/j.ica.2013.09.018","","","0.71073","MoKα","","0.0686","0.052","","","0.1135","0.1252","","","","","","1.079","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543828","19.3078","0.0013","10.3786","0.0007","20.7335","0.0014","90","","90","","90","","4154.7","0.5","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C208 H176 N16 O16 -","8","2","","Zhang, Jianbo; Han, Xiuling; Lu, Xiyan","Synthesis of Indole-Substituted Indanones via Palladium(II)-Catalyzed Tandem Reaction of ortho-Electron-Deficient Alkynyl-Substituted Aryl Aldehydes with Indoles.","Organic letters","2016","18","12","2898","2901","10.1021/acs.orglett.6b01240","","","0.71073","MoKα","","0.0854","0.0425","","","0.0892","0.1065","","","","","","1.002","","","","has coordinates","184911","2020-10-21","18:00:00",""
"1544042","22.6505","0.0006","11.2352","0.0003","12.7961","0.0003","90","","90","","90","","3256.39","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H33 Ca2 N3 O12 S2 -","- C24 H33 Ca2 N3 O12 S2 -","- C96 H132 Ca8 N12 O48 S8 -","4","1","","Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun","A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection","Chem. Sci.","2016","7","9","5983","","10.1039/C6SC00972G","","","1.54184","CuKα","","0.0431","0.041","","","0.0952","0.0967","","","","","","1.081","","","","has coordinates","186283","2020-10-21","18:00:00",""
"1544163","11.97","0.006","16","0.008","8.19","0.004","90","","90","","90","","1568.5","1.3","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Ren, Zhiqiang; Hao, Yu; Hu, Xiangdong","Total Synthesis and Structural Reassignment of (±)-Cereoanhydride.","Organic letters","2016","18","19","4958","4961","10.1021/acs.orglett.6b02424","","","0.71073","MoKα","","0.0708","0.0483","","","0.1077","0.1197","","","","","","0.966","","","","has coordinates","187972","2020-10-21","18:00:00",""
"1544205","13.283","0.002","13.585","0.002","7.6811","0.0013","90","","90","","90","","1386.1","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0417","0.038","","","0.0873","0.0897","","","","","","1.091","","","","has coordinates","191524","2020-10-21","18:00:00",""
"1544751","17.8087","0.0005","11.3207","0.0003","17.3127","0.0005","90","","90","","90","","3490.36","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Compound 5","[SiP(iPr)2P(NMe)]FeNH2","","- C35 H53 Fe N2 P3 Si -","- C35 H53 Fe N2 P3 Si -","- C140 H212 Fe4 N8 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0571","0.0393","","","0.0784","0.0845","","","","","","1.034","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544761","17.2096","0.0002","31.3584","0.0004","50.5444","0.0006","90","","90","","90","","27277.1","0.6","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C142 H160 Er5 F90 N47 O100 S30 -","- C142 H160 Er5 F90 N47 O100 S30 -","- C568 H640 Er20 F360 N188 O400 S120 -","4","1","","Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A.-V.","Breaking the paradigm: record quindecim charged magnetic ionic liquids","Mater. Horiz.","2017","4","2","217","","10.1039/C6MH00468G","","","0.71073","MoKα","","0.0783","0.0613","","","0.1536","0.164","","","","","","1.016","","","","has coordinates","195193","2020-10-21","18:00:00",""
"1544939","25.6854","0.0002","8.0217","0.0001","15.3789","0.0001","90","","90","","90","","3168.68","0.05","150","","150","","","","","","","","local","6","P c a 21","P 2c -2ac","29","","","","- C32 H41 N O7 S Si -","- C32 H41 N O7 S Si -","- C128 H164 N4 O28 S4 Si4 -","4","1","","Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C.","Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine.","Organic letters","2017","19","1","162","165","10.1021/acs.orglett.6b03465","","","1.54184","CuKα","","0.0309","0.0303","","0.0783","0.0778","0.0783","","","","","","1.0308","","","","has coordinates","191399","2020-10-21","18:00:00",""
"1544991","11.2567","0.0007","11.6409","0.0007","27.0758","0.0016","90","","90","","90","","3548","0.4","298","2","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H17 F3 O2 S2 -","- C18 H17 F3 O2 S2 -","- C144 H136 F24 O16 S16 -","8","2","","Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu","Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes","Chem. Sci.","2017","8","4","2610","","10.1039/C6SC05093J","","","0.71073","MoKα","","0.1464","0.0902","","","0.1256","0.1446","","","","","","1.058","","","","has coordinates","288155","2023-12-07","17:20:21",""
"1545019","23.44","0.003","4.6307","0.0006","10.6408","0.0013","90","","90","","90","","1155","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","HB4107","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol","IUCrData","2017","2","1","x162009","","10.1107/S2414314616020095","","","0.71073","MoKα","","0.0458","0.041","","","0.1084","0.1121","","","","","","1.089","","","","has coordinates,has Fobs","190049","2020-10-21","18:00:00",""
"1545429","11.8946","0.0009","18.6719","0.0014","7.5647","0.0005","90","","90","","90","","1680.1","0.2","223","","223.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Kim, Ju Hyun; Song, Taemoon; Chung, Young Keun","Rhodium-Catalyzed Intermolecular Carbonylative [2 + 2 + 1] Cycloaddition of Alkynes Using Alcohol as the Carbon Monoxide Source for the Formation of Cyclopentenones.","Organic letters","2017","19","5","1248","1251","10.1021/acs.orglett.7b00458","","","0.71073","MoKα","","0.0714","0.0442","","","0.1079","0.1392","","","","","","0.9101","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1545435","16.7256","0.001","12.4161","0.0007","25.1262","0.0014","90","","90","","90","","5217.9","0.5","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C208 H272 N16 O48 -","16","4","","Klare, Hendrik F. T.; Goldberg, Alexander F. G.; Duquette, Douglas C.; Stoltz, Brian M.","Oxidative Fragmentations and Skeletal Rearrangements of Oxindole Derivatives.","Organic letters","2017","19","5","988","991","10.1021/acs.orglett.6b03789","","","0.71073","MoKα","","0.0737","0.0452","","","0.081","0.089","","","","","","1.007","","","","has coordinates","193357","2020-10-21","18:00:00",""
"1545733","15.0303","0.0003","10.4122","0.0002","12.7073","0.0003","90","","90","","90","","1988.67","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 Fe N O3 -","- C20 H29 Fe N O3 -","- C80 H116 Fe4 N4 O12 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","1.54184","CuKα","","0.0376","0.0343","","","0.0806","0.0825","","","","","","1.034","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1545745","15.6695","0.0007","5.5971","0.0003","39.2584","0.0019","90","","90","","90","","3443.1","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","2","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.1255","0.068","","","0.1815","0.2245","","","","","","1.002","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545937","10.4082","0.0005","7.7785","0.0003","19.6994","0.0009","90","","90","","90","","1594.87","0.12","150","0.1","150","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H23 N3 -","- C16 H23 N3 -","- C64 H92 N12 -","4","1","","Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis and Reactivity of 1-Allenyltriazenes.","Organic letters","2017","19","8","2070","2073","10.1021/acs.orglett.7b00671","","x-ray","1.54184","CuKα","","0.0335","0.0291","","","0.0716","0.0743","","","","","","1.073","","","","has coordinates","196071","2020-10-21","18:00:00",""
"1546093","24.2286","0.0011","5.6429","0.0002","7.6125","0.0003","90","","90","","90","","1040.78","0.07","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","PC","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin","Aggregation of an n‒π* Molecule Induces Fluorescence Turn-on","The Journal of Physical Chemistry C","2017","121","21","11907","","10.1021/acs.jpcc.7b02797","","","0.71073","MoKa","","0.066","0.0518","","","0.1445","0.1547","","","","","","1.173","","","","has coordinates","197472","2020-10-21","18:00:00",""
"1546237","14.8441","0.0002","10.42006","0.00018","14.7439","0.0003","90","","90","","90","","2280.53","0.07","294.4","0.1","294.4","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","Ma, Xiao-Yan; An, Xian-Tao; Zhao, Xian-He; Du, Ji-Yuan; Deng, Yu-Hua; Zhang, Xiang-Zhi; Fan, Chun-An","Au-Catalyzed [2 + 3] Annulation of Enamides with Propargyl Esters: Total Synthesis of Cephalotaxine and Cephalezomine H.","Organic letters","2017","19","11","2965","2968","10.1021/acs.orglett.7b01202","","","1.54184","CuKα","","0.0417","0.0404","","","0.1066","0.1089","","","","","","1.055","","","","has coordinates","197382","2020-10-21","18:00:00",""
"1546421","31.325","0.003","4.708","0.0004","15.8478","0.0011","90","","90","","90","","2337.2","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H23 N5 O8 S -","- C23 H23 N5 O8 S -","- C92 H92 N20 O32 S4 -","4","1","","Quiñones, Ryan E; Glinkerman, Christopher M.; Zhu, Kaicheng; Boger, Dale L.","Direct Synthesis of β-Aminoenals through Reaction of 1,2,3-Triazine with Secondary Amines.","Organic letters","2017","19","13","3568","3571","10.1021/acs.orglett.7b01543","","","1.54178","CuKα","","0.0614","0.0524","","","0.1341","0.1393","","","","","","1.024","","","","has coordinates,has disorder","200743","2020-10-21","18:00:00",""
"1546539","16.9235","0.0014","9.5861","0.0007","9.9959","0.0007","90","","90","","90","","1621.6","0.2","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","PhCH(CH2CH2SEt)NHCOPh","","- C18 H21 N O S -","- C18 H21 N O S -","- C72 H84 N4 O4 S4 -","4","1","","Ishido, Yuki; Kanbayashi, Naoya; Okamura, Taka-aki; Onitsuka, Kiyotaka","Synthesis of Nonnatural Helical Polypeptide via Asymmetric Polymerization and Reductive Cleavage of N‒O Bond","Macromolecules","2017","50","14","5301","","10.1021/acs.macromol.7b01426","","","0.71075","MoKα","","0.1063","0.0579","","","0.0961","0.1097","","","","","","1.021","","","","has coordinates","200720","2020-10-21","18:00:00",""
"1546634","17.5297","0.0008","12.1853","0.0006","12.0781","0.0004","90","","90","","90","","2579.94","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C132 H108 N4 O8 -","4","1","HB4132","Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T.","3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione","IUCrData","2017","2","4","x170581","","10.1107/S2414314617005818","","","0.71073","MoKα","","0.0437","0.034","","","0.0782","0.0843","","","","","","1.039","","","","has coordinates,has Fobs","199228","2020-10-21","18:00:00",""
"1546655","14.054","0.0011","11.2639","0.0006","9.6184","0.0005","90","","90","","90","","1522.62","0.16","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","BH4024","González, Gerardo García; Unnamatla, M. V. Basavanag","9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline","IUCrData","2017","2","3","x170445","","10.1107/S241431461700445X","","","0.71073","MoKα","","0.0607","0.0559","","","0.1484","0.1539","","","","","","1.052","","","","has coordinates,has Fobs","199249","2020-10-21","18:00:00",""
"1546705","33.2932","0.001","7.9284","0.0002","5.7903","0.0002","90","","90","","90","","1528.42","0.08","100","","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Biphenyl-4-yl 4-methylbenzenesulfonate","","- C19 H16 O3 S -","- C19 H16 O3 S -","- C76 H64 O12 S4 -","4","1","BT4056","Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","Biphenyl-4-yl 4-methylbenzenesulfonate","IUCrData","2017","2","7","x170982","","10.1107/S2414314617009828","","","0.71073","MoKα","","0.0315","0.0255","","","0.0557","0.057","","","","","","0.983","","","","has coordinates,has Fobs","199301","2020-10-21","18:00:00",""
"1547054","24.608","0.007","7.147","0.002","12.285","0.004","90","","90","","90","","2160.6","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C88 H128 N16 O16 -","8","2","","Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline","Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.","Organic letters","2017","19","17","4464","4467","10.1021/acs.orglett.7b01963","","","0.71073","MoKα","","0.1098","0.0668","","","0.1537","0.1753","","","","","","1.016","","","","has coordinates","200563","2020-10-21","18:00:00",""
"1547085","20.8","0.005","13.066","0.003","16.207","0.004","90","","90","","90","","4404.6","1.8","173.15","","173.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H50 N2 O4 Si -","- C52 H50 N2 O4 Si -","- C208 H200 N8 O16 Si4 -","4","1","","Ma, Zetong; Xiao, Chengyi; Liu, Chunming; Meng, Dong; Jiang, Wei; Wang, Zhaohui","Palladium-Catalyzed Si-C Bond Formation toward Sila-Annulated Perylene Diimides.","Organic letters","2017","19","16","4331","4334","10.1021/acs.orglett.7b02011","","","0.710747","MoKα","","0.1085","0.094","","","0.2299","0.2407","","","","","","1.105","","","","has coordinates,has disorder","200603","2020-10-21","18:00:00",""
"1547240","11.246","0.002","17.285","0.004","11.864","0.002","90","","90","","90","","2306.2","0.8","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H14 F N O -","- C13 H14 F N O -","- C104 H112 F8 N8 O8 -","8","2","","Han, Yong-Chao; Zhang, Yan-Dong; Jia, Qun; Cui, Jian; Zhang, Chi","Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines.","Organic letters","2017","19","19","5300","5303","10.1021/acs.orglett.7b02479","","","0.71073","MoKα","","0.1092","0.0957","","","0.2581","0.272","","","","","","1.071","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547584","13.7527","0.0013","9.8191","0.0009","22.826","0.002","90","","90","","90","","3082.4","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C152 H160 N16 O8 -","8","2","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0432","0.0381","","","0.0967","0.1003","","","","","","1.015","","","","has coordinates","201735","2020-10-21","18:00:00",""
"1547700","9.8218","0.0007","12.5329","0.0011","12.4155","0.0009","90","","90","","90","","1528.3","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H20 F2 O2 -","- C17 H20 F2 O2 -","- C68 H80 F8 O8 -","4","1","","Sha, Wanxing; Ni, Shengyang; Han, Jianlin; Pan, Yi","Access to Alkyl-Substituted Lactone via Photoredox-Catalyzed Alkylation/Lactonization of Unsaturated Carboxylic Acids.","Organic letters","2017","19","21","5900","5903","10.1021/acs.orglett.7b02899","","","0.71073","MoKα","","0.0546","0.0422","","","0.1014","0.1085","","","","","","1.001","","","","has coordinates","202850","2020-10-21","18:00:00",""
"1547809","15.441","0.003","8.3179","0.0016","10.6014","0.0018","90","","90","","90","","1361.6","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0263","0.0245","","","0.0616","0.0626","","","","","","1.096","","","","has coordinates","202405","2020-10-21","18:00:00",""
"1547899","26.523","0.003","7.284","0.0007","19.1745","0.0019","90","","90","","90","","3704.4","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H40 Al2 Cl10 Mg2 O8 -","- C16 H40 Al2 Cl10 Mg2 O8 -","- C64 H160 Al8 Cl40 Mg8 O32 -","4","1","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0241","0.021","","","0.0391","0.0417","","","","","","1.016","","","","has coordinates","203992","2020-10-21","18:00:00",""
"1547903","19.497","0.003","7.603","0.0012","11.664","0.002","90","","90","","90","","1729","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H15 O P -","- C22 H15 O P -","- C88 H60 O4 P4 -","4","1","","Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P.","Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine‒Diyne Polymers: Synthesis, Characterization and Photophysical Properties","Macromolecules","2017","50","22","8916","","10.1021/acs.macromol.7b01933","","","0.71073","MoKα","","0.0616","0.0465","","","0.0982","0.1073","","","","","","1.02","","","","has coordinates","203993","2020-10-21","18:00:00",""
"1548066","26.533","0.005","7.3366","0.0014","19.239","0.004","90","","90","","90","","3745.1","1.3","175","","175.01","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H39 Al2 Cl10 Mg2 O8 -","- C16 H39 Al2 Cl10 Mg2 O8 -","- C64 H156 Al8 Cl40 Mg8 O32 -","4","1","","Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei","An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery","Energy & Environmental Science","2017","","","","","10.1039/C7EE02304A","","","0.71073","MoKα","","0.122","0.1035","","","0.2926","0.3032","","","","","","1.038","","","","has coordinates","203248","2020-10-21","18:00:00",""
"1548337","14.268","0.003","4.5707","0.0011","10.746","0.003","90","","90","","90","","700.8","0.3","123","2","123","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","NOF-3","","- C4 H3 N3 O4 Zn -","- C4 H3 N3 O4 Zn -","- C16 H12 N12 O16 Zn4 -","4","1","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.71075","MoKα","","0.0175","0.0172","","","0.0465","0.0468","","","","","","1.075","","","","has coordinates","203822","2020-10-21","18:00:00",""
"1548488","12.5175","0.0011","13.082","0.0012","13.0989","0.0014","90","","90","","90","","2145","0.4","293","","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0358","0.0293","","0.062","0.0564","0.062","","","","","","0.9936","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548489","11.9968","0.0011","12.5527","0.0011","12.8642","0.0006","90","","90","","90","","1937.2","0.3","293","","293","","","","1400","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0566","0.0458","","0.0689","0.068","0.0689","","","","","","1.001","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548490","11.9924","0.0012","12.5546","0.0011","12.8611","0.0007","90","","90","","90","","1936.4","0.3","293","","293","","","","1600","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.055","0.0441","","0.0702","0.0694","0.0702","","","","","","0.9938","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548491","12.3181","0.0007","12.8429","0.0007","13.038","0.0004","90","","90","","90","","2062.61","0.17","293","","293","","","","580","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0327","0.0291","","0.0706","0.066","0.0706","","","","","","1.0411","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548492","12.2089","0.0009","12.7469","0.0008","12.9686","0.0005","90","","90","","90","","2018.2","0.2","293","","293","","","","900","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.037","0.0306","","0.0522","0.0517","0.0522","","","","","","0.9999","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548647","9.6668","0.0005","9.4892","0.0005","9.7273","0.0005","90","","90","","90","","892.29","0.08","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H12 B11 Li -","- C H12 B11 Li -","- C4 H48 B44 Li4 -","4","1","","Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic","Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions","Energy & Environmental Science","2015","8","","3637","3645","10.1039/C5EE02941D","powder diffraction","","","X-ray","","","","","","","","","2.5703","","","","","","","","has coordinates","205028","2020-10-21","18:00:00",""
"1548648","9.7821","0.0004","9.6254","0.0004","10.0928","0.0004","90","","90","","90","","950.3","0.07","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H12 B11 Na -","- C H12 B11 Na -","- C4 H48 B44 Na4 -","4","1","","Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic","Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions","Energy & Environmental Science","2015","8","","3637","3645","10.1039/C5EE02941D","powder diffraction","","","X-ray","","","","","","","","","2.6689","","","","","","","","has coordinates","205029","2020-10-21","18:00:00",""
"1548752","24.8934","0.0003","13.45834","0.00018","18.5282","0.0003","90","","90","","90","","6207.39","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H33 F4 Mg N3 -","- C34 H33 F4 Mg N3 -","- C272 H264 F32 Mg8 N24 -","8","2","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0513","0.0414","","","0.0987","0.1073","","","","","","1.027","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1549088","41.344","0.003","14.272","0.0012","6.1349","0.0005","90","","90","","90","","3620","0.5","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C43 H54 B2 -","- C43 H54 B2 -","- C172 H216 B8 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1448","0.0673","","","0.1049","0.1282","","","","","","0.84","","","","has coordinates","228816","2020-10-21","18:00:00",""
"1549239","11.7592","0.0013","10.1198","0.001","32.161","0.003","90","","90","","90","","3827.2","0.7","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-(1-cyclohexyl-2-oxo-2-(2-oxooxazolidin-3-yl)ethyl)-2-(methylthio)phenyl acetate","","- C20 H25 N O5 S -","- C20 H25 N O5 S -","- C160 H200 N8 O40 S8 -","8","2","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","","0.71073","MoKα","","0.0457","0.0445","","","0.1147","0.1156","","","","","","1.081","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549368","21.495","0.002","13.598","0.003","16.434","0.004","90","","90","","90","","4803.5","1.6","173.15","","173.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","(TAP)Co-(1-(p-fluorophenyl)vinyl)","","- C62 H48 Co F N4 O4 -","- C62 H48 Co F N4 O4 -","- C248 H192 Co4 F4 N16 O16 -","4","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0626","0.0581","","","0.161","0.1663","","","","","","1.093","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549373","7.0231","0.0008","17.534","0.002","14.6817","0.0019","90","","90","","90","","1807.9","0.4","152","2","152","2","","","","","","","Pyxidicoccus fallax","4","P c a 21","P 2c -2ac","29","","Pyxidicycline A","","- C22 H17 N O9 -","- C22 H17 N O9 -","- C88 H68 N4 O36 -","4","1","","Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf","Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.","Chemical science","2018","9","21","4898","4908","10.1039/c8sc01325j","","","0.71073","MoKα","","0.0653","0.0452","","","0.1135","0.1236","","","","","","1.054","","","","has coordinates","228835","2020-10-21","18:00:00",""
"1549524","11.0628","0.0005","6.0454","0.0003","9.3526","0.0004","90","","90","","90","","625.49","0.05","293","","293","","","","","","","","synthesised as described","4","P c a 21","P 2c -2ac","29","Diammine nickel nitrate","Diammine nickel(II) nitrate","","- H6 N4 Ni O6 -","- H6 N4 Ni O6 -","- H24 N16 Ni4 O24 -","4","1","","Breternitz, Joachim; Godula-Jopek, Agata; Gregory, Duncan H.","Ni(NH3)2(NO3)2 - A 3-D Network through Bridging Nitrate Units Isolated from the Thermal Decomposition of Nickel Hexammine Dinitrate","Inorganics","2018","6","","","","","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0335","0.0333","","0.0443","0.0443","","","","2.51","","","","","","","has coordinates","208149","2020-10-21","18:00:00",""
"1549675","23.5234","0.001","10.5928","0.0004","23.4895","0.0013","90","","90","","90","","5853.1","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole","","- C17 H13 N5 O -","- C17 H13 N5 O -","- C272 H208 N80 O16 -","16","4","HB4243","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole","IUCrData","2018","3","7","x180966","","10.1107/S2414314618009665","","","0.71073","MoKα","","0.0946","0.052","","","0.1193","0.145","","","","","","1.058","","","","has coordinates,has Fobs","208970","2020-10-21","18:00:00",""
"1549687","25.043","0.004","10.3564","0.0018","8.256","0.002","90","","90","","90","","2141.2","0.7","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,14-dibromo-5,10-diphenyltripyrrin","1,14-dibromo-5,10-diphenyltripyrrin","","- C26 H17 Br2 N3 -","- C26 H17 Br2 N3 -","- C104 H68 Br8 N12 -","4","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.017","0.0158","","","0.0411","0.0414","","","","","","1.01","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549948","9.0006","0.0002","20.7778","0.0004","9.7487","0.0002","90","","90","","90","","1823.13","0.07","200","0.1","200","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","2-propyl-1H-benzimidazole","","","- C10 H12 N2 -","- C10 H12 N2 -","- C80 H96 N16 -","8","2","","Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose","Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole","IUCrJ","2018","5","6","","","10.1107/S2052252518011685","","x-ray","1.5418","CuKα","","0.0315","0.0311","","","0.044","0.0441","","","","3.08","3.08","3.06","","","","has coordinates","210977","2020-10-21","18:00:00",""
"1550153","21.9622","0.0009","11.6996","0.0004","20.9046","0.0007","90","","90","","90","","5371.4","0.3","172.99","0.1","172.99","0.1","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C49 H60 B2 Co F8 N5 Ni P2 S2 -","- C49 H60 B2 Co F8 N5 Ni P2 S2 -","- C196 H240 B8 Co4 F32 N20 Ni4 P8 S8 -","4","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","x-ray","0.71","MoKα","","0.0417","0.0354","","","0.0822","0.0852","","","","","","1.04","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550564","11.2175","0.0004","15.925","0.0006","18.9824","0.0007","90","","90","","90","","3391","0.2","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C33 H59 Cu4 N3 -","- C33 H59 Cu4 N3 -","- C132 H236 Cu16 N12 -","4","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.0249","0.0234","","","0.0613","0.0715","","","","","","1.146","","","","has coordinates","213502","2020-10-21","18:00:00",""
"1551172","11.51562","0.00004","10.67077","0.00003","29.25903","0.00009","90","","90","","90","","3595.37","0.02","102","1","102","1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C24 H42 Cl5 F3 N4 O3 P2 S -","- C24 H42 Cl5 F3 N4 O3 P2 S -","- C96 H168 Cl20 F12 N16 O12 P8 S4 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0211","0.021","","","0.0579","0.0579","","","","","","1.05","","","","has coordinates","215615","2020-10-21","18:00:00",""
"1551244","7.0848","0.0008","26.422","0.003","6.2664","0.0007","90","","90","","90","","1173","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Iodo-2-[(phenylimino)methyl]phenol","","- C13 H10 I N O -","- C13 H10 I N O -","- C52 H40 I4 N4 O4 -","4","1","TK4058","Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.","(E)-4-Iodo-2-[(phenylimino)methyl]phenol","IUCrData","2019","4","6","","","10.1107/S2414314619007880","","","0.71073","MoKα","","0.0806","0.0802","","","0.2228","0.2233","","","","","","1.182","","","","has coordinates,has Fobs","215715","2020-10-21","18:00:00",""
"1551395","17.8908","0.0016","7.3739","0.0006","15.4074","0.0014","90","","90","","90","","2032.6","0.3","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H31 Cl N5 Ni O6 -","- C14 H31 Cl N5 Ni O6 -","- C56 H124 Cl4 N20 Ni4 O24 -","4","1","","Jaeheung Cho; Ritimukta Sarangi; Jamespandi Annaraj; Sung Yeon Kim; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Geometric and electronic structure and reactivity of a mononuclear 'side-on' nickel(iii)-peroxo complex","Nature Chemistry","2009","1","","568","572","10.1038/nchem.366","","","0.71073","MoKα","","0.0475","0.0384","","","0.0862","0.0876","","","","","","0.946","","","","has coordinates","215924","2020-10-21","18:00:00",""
"1551404","16.6985","0.0016","12.4092","0.0012","17.7201","0.0017","90","","90","","90","","3671.9","0.6","180.45","","180.45","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C31 H34 F6 N6 O9 S2 Zn -","- C31 H34 F6 N6 O9 S2 Zn -","- C124 H136 F24 N24 O36 S8 Zn4 -","4","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0715","0.0591","","","0.1128","0.1226","","","","","","1.0592","","","","has coordinates,has Fobs","215935","2020-10-21","18:00:00",""
"1551605","30.231","0.005","9.2503","0.0014","22.083","0.003","90","","90","","90","","6175.4","1.6","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C66 H82 B2 N6 O6 Zn -","- C66 H82 B2 N6 O6 Zn -","- C264 H328 B8 N24 O24 Zn4 -","4","1","","ITO, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Crystal Structure of a Trigonally Compressed Hexakis-DMF Zinc(II) Complex","X-ray Structure Analysis Online","2016","32","0","21","","10.2116/xraystruct.32.21","","","0.71073","MoKα","","0.0601","0.0365","","","0.0672","0.0744","","","","","","0.634","","","","has coordinates","216216","2020-10-21","18:00:00",""
"1551606","16.669","0.004","9.933","0.002","26.907","0.006","90","","90","","90","","4455.1","1.7","188","2","188","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H27 B Ge O2 -","- C24 H27 B Ge O2 -","- C192 H216 B8 Ge8 O16 -","8","2","","BOWES, Eric G.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A.","Synthesis and Molecular Structure of Ph<sub>3</sub>GeBO<sub>2</sub>C<sub>2</sub>Me<sub>4</sub>","X-ray Structure Analysis Online","2016","32","0","35","","10.2116/xraystruct.32.35","","x-ray","0.71073","MoKα","","0.0665","0.0463","","","0.1077","0.1196","","","","","","1.06","","","","has coordinates","216217","2020-10-21","18:00:00",""
"1551670","27.657","0.003","23.834","0.003","26.529","0.003","90","","90","","90","","17487","4","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C88 H108 B3 Ce O8 S8 -","- C88 H108 B3 Ce O8 S8 -","- C704 H864 B24 Ce8 O64 S64 -","8","2","","SAKIYAMA, Hiroshi; YUZAWA, Hidetaka; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Structural Feature of an Octakis-DMSO Cerium(III) Complex: Tetragonal Antiprismatic Coordination Geometry along the <i>c</i> Axis","X-ray Structure Analysis Online","2014","30","0","19","","10.2116/xraystruct.30.19","","","0.71073","MoKα","","0.0764","0.0569","","","0.0855","0.0906","","","","","","1.055","","","","has coordinates,has disorder","216281","2020-10-21","18:00:00",""
"1551724","30.2714","0.0005","9.26438","0.0001","22.0462","0.0004","90","","90","","90","","6182.76","0.17","93","","93","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C66 H82 B2 N6 Ni O6 -","- C66 H82 B2 N6 Ni O6 -","- C264 H328 B8 N24 Ni4 O24 -","4","1","","YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi","Synthesis and Crystal Structure of a Hexa-DMF Nickel(II) Complex that Belongs to an S6 Point Group","X-ray Structure Analysis Online","2011","27","","71","","10.2116/xraystruct.27.71","","","1.54187","CuKα","","","0.0371","","","","0.0909","","","","","","1.084","","","","has coordinates","216336","2020-10-21","18:00:00",""
"1551969","11.166","0.003","12.913","0.003","8.653","0.003","90","","90","","90","","1247.6","0.6","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0374","0.0344","","","0.0742","0.0768","","","","","","1.061","","","","has coordinates","216733","2020-10-21","18:00:00",""
"1552143","9.6314","0.0011","4.8612","0.0006","17.269","0.002","90","","90","","90","","808.54","0.17","173","2","173.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>poly</i>-[μ~4~(4-(Carboxymethyl)benzoato)zinc(II)]","","- C9 H6 O4 Zn -","- C9 H6 O4 Zn -","- C36 H24 O16 Zn4 -","4","1","LH4047","Jia, Jason; LaDuca, Robert L.","Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)]","IUCrData","2019","4","7","x191014","","10.1107/S2414314619010149","","","0.71073","MoKα","","0.02","0.0193","","","0.048","0.0485","","","","","","1.074","","","","has coordinates,has Fobs","217382","2020-10-21","18:00:00",""
"1552292","23.354","0.003","5.6449","0.0007","7.7373","0.001","90","","90","","90","","1020","0.2","190","2","190","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","YC5020","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0938","0.0414","","","0.064","0.0757","","","","","","1.019","","","","has coordinates","218067","2020-10-21","18:00:00",""
"1552320","12.2124","0.0003","14.5258","0.0003","32.7959","0.0007","90","","90","","90","","5817.8","0.2","180","0.1","180","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32.5 H9.5 Cl1.5 F10 N3 O2 Pt -","- C32.5 H9.5 Cl1.5 F10 N3 O2 Pt -","- C260 H76 Cl12 F80 N24 O16 Pt8 -","8","2","","Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long","Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability","Chemical Science","2019","","","","","10.1039/C9SC04044G","","x-ray","0.71073","MoKα","","0.0525","0.0365","","","0.0885","0.0956","","","","","","1.026","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552375","17.32","0.0012","14.8685","0.001","10.2605","0.0007","90","","90","","90","","2642.3","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 Al Cl3 F28 O3 Se -","- C12 Al Cl3 F28 O3 Se -","- C48 Al4 Cl12 F112 O12 Se4 -","4","1","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0336","0.0275","","","0.066","0.068","","","","","","1.054","","","","has coordinates","219136","2020-10-21","18:00:00",""
"1552416","17.83","0.02","10.25","0.013","16.89","0.02","90","","90","","90","","3087","6","180","","180","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H36 Cl F6 Ir O P2 -","- C29 H36 Cl F6 Ir O P2 -","- C116 H144 Cl4 F24 Ir4 O4 P8 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","0.71073","MoKα","","0.0775","0.048","","","0.1028","0.1161","","","","","","0.928","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552838","24.121","0.002","9.6946","0.0008","25.198","0.003","90","","90","","90","","5892.4","1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C63 H55 Cl N2 Pd S4 -","- C63 H55 Cl N2 Pd S4 -","- C252 H220 Cl4 N8 Pd4 S16 -","4","1","","Na, Yinna; Dai, Shengyu; Chen, Changle","Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE)","Macromolecules","2018","51","11","4040","","10.1021/acs.macromol.8b00467","","","0.71073","MoKα","","0.2274","0.1399","","","0.328","0.3758","","","","","","1.031","","","","has coordinates,has disorder","227471","2020-10-21","18:00:00",""
"1553075","9.9162","0.0008","14.8123","0.0011","7.3118","0.0006","90","","90","","90","","1073.97","0.15","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H9 N7 O -","- C9 H9 N7 O -","- C36 H36 N28 O4 -","4","1","","Quinodoz, Pierre; Lo, Cheikh; Kletskii, Mikhail; Burov, Oleg; Marrot, Jérôme; Couty, François","Regio- and stereoselective synthesis of α-hydroxy-β-azido tetrazoles","Organic Chemistry Frontiers","2015","2","5","492","","10.1039/C4QO00345D","","","0.71073","MoKα","","0.0476","0.0368","","","0.0819","0.0874","","","","","","1.055","","","","has coordinates","233023","2020-10-21","18:00:00",""
"1553432","7.7032","0.001","16.441","0.002","14.9629","0.0018","90","","90","","90","","1895","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4a","4a","","- C23 H15 Cl3 N2 O2 -","- C23 H15 Cl3 N2 O2 -","- C92 H60 Cl12 N8 O8 -","4","1","","Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen","Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C‒H and O‒H cross-dehydrogenative coupling","Organic Chemistry Frontiers","2016","3","7","799","","10.1039/C6QO00040A","","","0.71","MoKα","","0.0947","0.0629","","","0.1296","0.1592","","","","","","1.006","","","","has coordinates","234991","2020-10-21","18:00:00",""
"1553502","16.3471","0.0009","11.2916","0.0008","8.0242","0.0004","90","","90","","90","","1481.15","0.15","193","","","","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C22 H13 N S -","- C22 H13 N S -","- C88 H52 N4 S4 -","4","1","","Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen","Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N‒H/C‒H coupling","Organic Chemistry Frontiers","2016","3","11","1520","","10.1039/C6QO00371K","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","235073","2020-10-21","18:00:00",""
"1553779","11.0348","0.0007","21.2718","0.0012","7.2221","0.0006","90","","90","","90","","1695.2","0.2","184.3","0.3","184.3","0.3","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Tang, Hai-Tao; Zeng, Jia-Hao; Chen, Jun-Jia; Zhou, Yun-Bing; Li, Ren-Hao; Zhan, Zhuang-Ping","Synthesis of pyrazolo[5,1-a]isoquinolines through copper-catalyzed regioselective bicyclization of N-propargylic sulfonylhydrazones","Organic Chemistry Frontiers","2017","4","8","1513","","10.1039/C7QO00249A","","","0.71073","MoKα","","0.0713","0.061","","","0.1247","0.1292","","","","","","1.161","","","","has coordinates","236019","2020-10-21","18:00:00",""
"1553822","16.2553","0.0002","8.3116","0.0001","24.8996","0.0004","90","","90","","90","","3364.12","0.08","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C152 H120 N24 O32 -","8","2","","Krylov, Igor B.; Paveliev, Stanislav A.; Shelimov, Boris N.; Lokshin, Boris V.; Garbuzova, Irina A.; Tafeenko, Viktor A.; Chernyshev, Vladimir V.; Budnikov, Alexander S.; Nikishin, Gennady I.; Terent'ev, Alexander O.","Selective cross-dehydrogenative C‒O coupling of N-hydroxy compounds with pyrazolones. Introduction of the diacetyliminoxyl radical into the practice of organic synthesis","Organic Chemistry Frontiers","2017","4","10","1947","","10.1039/C7QO00447H","","","1.54186","CuKα","","0.078","0.0593","","","0.1415","0.1484","","","","","","0.893","","","","has coordinates","236066","2020-10-21","18:00:00",""
"1554036","32.1","0.0015","4.1188","0.0002","9.6966","0.0004","90","","90","","90","","1282.02","0.1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H5 N2 O5 a -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","1","","Manin, Alex N.; Voronin, Alexander P.; Shishkina, Anastasia V.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Influence of Secondary Interactions on the Structure, Sublimation Thermodynamics, and Solubility of Salicylate:4-Hydroxybenzamide Cocrystals. Combined Experimental and Theoretical Study.","The journal of physical chemistry. B","2015","119","33","10466","10477","10.1021/acs.jpcb.5b05082","","","0.71073","MoKα","","0.0356","0.0333","","","0.0866","0.0884","","","","","","1.031","","","","has coordinates","236472","2020-10-21","18:00:00",""
"1554245","8.7745","0.0018","11.508","0.002","20.298","0.004","90","","90","","90","","2049.6","0.7","153","2","153.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C116 H80 N8 -","4","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.0919","0.0772","","","0.1932","0.2209","","","","","","1.22","","","","has coordinates","237061","2020-10-21","18:00:00",""
"1554246","45.21","0.009","6.1483","0.0012","7.449","0.0015","90","","90","","90","","2070.6","0.7","153","2","153.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H23 N O -","- C29 H23 N O -","- C116 H92 N4 O4 -","4","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.0723","0.0664","","","0.1404","0.1459","","","","","","1.15","","","","has coordinates","237061","2020-10-21","18:00:00",""
"1554280","16.9028","0.0008","16.5253","0.0007","9.9901","0.0004","90","","90","","90","","2790.5","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","2","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.0688","0.0592","","","0.1431","0.1482","","","","","","1.597","","","","has coordinates,has disorder","237093","2020-10-21","18:00:00",""
"1554282","17.23","0.003","8.7235","0.0016","9.6499","0.0018","90","","90","","90","","1450.4","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.0518","0.0476","","","0.1125","0.1155","","","","","","1.062","","","","has coordinates","237093","2020-10-21","18:00:00",""
"1554295","18.1688","0.0009","18.3501","0.001","11.8464","0.0007","90","","90","","90","","3949.6","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H44 Cl2 N2 O6 S -","- C44 H44 Cl2 N2 O6 S -","- C176 H176 Cl8 N8 O24 S4 -","4","1","","Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel","Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor‒acceptor oxiranes and aziridines","Organic Chemistry Frontiers","2018","5","13","2020","","10.1039/C8QO00255J","","","0.71073","MoKα","","0.0631","0.0463","","","0.1027","0.1119","","","","","","0.918","","","","has coordinates,has disorder","237103","2020-10-21","18:00:00",""
"1554532","14.3845","0.0014","4.3448","0.0004","23.199","0.002","90","","90","","90","","1449.9","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung","Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides","Organic Chemistry Frontiers","2019","6","2","226","","10.1039/C8QO01175C","","","0.71073","MoKα","","0.051","0.0375","","","0.0747","0.0802","","","","","","1.035","","","","has coordinates","237315","2020-10-21","18:00:00",""
"1554536","7.0667","0.0003","23.0878","0.001","21.9663","0.0007","90","","90","","90","","3583.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H15 Br2 N O2 -","- C20 H15 Br2 N O2 -","- C160 H120 Br16 N8 O16 -","8","2","","Liu, Zhenhua; Zhu, Guangyu; Gao, Wen; Yang, Lin; Ji, Huimin; Tong, Lili; Tang, Bo","Copper-catalyzed regioselective cyclization of vinyl azides by gem-difluoromethylene for trisubstituted pyridines","Organic Chemistry Frontiers","2019","6","4","468","","10.1039/C8QO01212A","","x-ray","1.54178","CuKα","","0.048","0.0415","","","0.1039","0.1129","","","","","","1.042","","","","has coordinates","237318","2020-10-21","18:00:00",""
"1554794","12.8993","0.0014","10.853","0.0011","11.6466","0.0011","90","","90","","90","","1630.5","0.3","293","2","293.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","","Li, Bo; Wang, Si-Qing; Liu, Bin; Shi, Bing-Feng","Synthesis of oxazolines from amides via palladium-catalyzed functionalization of unactivated C(sp(3))-H bond.","Organic letters","2015","17","5","1200","1203","10.1021/acs.orglett.5b00151","","","0.71073","MoKα","","0.0566","0.0396","","","0.0889","0.0969","","","","","","1.073","","","","has coordinates","238122","2020-10-21","18:00:00",""
"1554976","12.9687","0.0003","13.0705","0.0003","7.18","0.0002","90","","90","","90","","1217.06","0.05","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons","Organic Chemistry Frontiers","2019","6","17","3071","","10.1039/C9QO00619B","","","1.54184","CuKα","","0.0291","0.0286","","","0.0755","0.0758","","","","","","1.075","","","","has coordinates","238248","2020-10-21","18:00:00",""
"1555056","8.33914","0.00003","13.29606","0.00005","18.06836","0.00008","90","","90","","90","","2003.38","0.014","100","0.1","100","0.1","","","","","","","fungus","3","P c a 21","P 2c -2ac","29","","","","- C21 H22 O11 -","- C21 H22 O11 -","- C84 H88 O44 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","x-ray","1.54184","CuKα","","0.0219","0.0218","","","0.0559","0.0559","","","","","","1.067","","","","has coordinates","238298","2020-10-21","18:00:00",""
"1555085","11.543","0.005","10.4","0.002","32.618","0.006","90","","90","","90","","3916","2","300","2","300.09","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3.38 H1.96 Cl0.18 F1.6 N0 O0.18 -","- C3.37778 H1.77778 Cl0.177778 F1.6 O0.177778 -","- C152 H80 Cl8 F72 O8 -","45","11.25","","He, Wei; Yu, Jipan; Wang, Dawei; Ran, Guoxia; Xia, Xiao-Feng","Synthesis of tri-substituted allyl alcohols via a copper/iron co-catalyzed cascade perfluoroalkylation/rearrangement of aryl propynyl ethers","Organic Chemistry Frontiers","2019","6","20","3575","","10.1039/C9QO00848A","","","1.54178","CuKα","","0.0854","0.0712","","","0.2132","0.2395","","","","","","1.065","","","","has coordinates","238309","2020-10-21","18:00:00",""
"1555105","10.571","0.006","5.838","0.003","12.338","0.007","90","","90","","90","","761.4","0.7","291","2","291","2","","","","","","","see text","3","P c a 21","P 2c -2ac","29","","(3a<i>R</i>,3b<i>R</i>,6a<i>S</i>,7a<i>R</i>)-hexahydrodifuro[2,3-<i>b</i>:3',2'-<i>d</i>]furan-2(3<i>H</i>)-one","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0623","0.058","","","0.1408","0.144","","","","","","1.122","","","","has coordinates","238325","2020-10-21","18:00:00",""
"1555320","20.9818","0.0003","8.85852","0.0001","8.04013","0.0001","90","","90","","90","","1494.4","0.03","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions.","Organic letters","2015","17","19","4862","4865","10.1021/acs.orglett.5b02420","","","1.54187","CuKα","","0.0358","0.0328","","","0.0837","0.0868","","","","","","1.076","","","","has coordinates","238475","2020-10-21","18:00:00",""
"1555425","13.9869","0.0011","12.5966","0.0011","19.4789","0.0018","90","","90","","90","","3431.9","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H46 N2 Si2 -","- C39 H46 N2 Si2 -","- C156 H184 N8 Si8 -","4","1","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.034","0.0299","","","0.0721","0.074","","","","","","1.035","","","","has coordinates","238650","2020-10-21","18:00:00",""
"1555578","20.6513","0.0013","5.9284","0.0004","14.7885","0.0009","90","","90","","90","","1810.5","0.2","290.56","0.1","290.56","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H19 N0.25 O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Li, Chao; Jiang, Kun; Ouyang, Qin; Liu, Tian-Yu; Chen, Ying-Chun","[3 + 1]- and [3 + 2]-Cycloadditions of Azaoxyallyl Cations and Sulfur Ylides.","Organic letters","2016","18","11","2738","2741","10.1021/acs.orglett.6b01194","","x-ray","0.71073","MoKα","","0.0416","0.0375","","","0.0824","0.0843","","","","","","1.097","","","","has coordinates","238913","2020-10-21","18:00:00",""
"1555846","15.8269","0.0002","5.82087","0.00013","20.8138","0.0004","90","","90","","90","","1917.5","0.06","297.9","0.5","297.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H22 O7 -","- C22 H22 O7 -","- C88 H88 O28 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","1.54183","CuKα","","0.0519","0.0503","","","0.1437","0.1466","","","","","","1.05","","","","has coordinates","239174","2020-10-21","18:00:00",""
"1556432","19.195","0.003","8.503","0.0013","30.611","0.005","90","","90","","90","","4996.2","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C264 H208 N16 O24 -","8","2","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.71073","MoKα","","0.0659","0.0455","","","0.1057","0.1185","","","","","","1.013","","","","has coordinates,has disorder","244929","2020-10-21","18:00:00",""
"1556437","18.7674","0.0009","18.103","0.0008","17.593","0.0007","90","","90","","90","","5977.2","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H44 Co N4 Si4 -","- C22 H44 Co N4 Si4 -","- C176 H352 Co8 N32 Si32 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0307","0.028","","","0.067","0.0679","","","","","","1.014","","","","has coordinates","244934","2020-10-21","18:00:00",""
"1556443","18.8806","0.0012","18.056","0.0013","17.6133","0.0017","90","","90","","90","","6004.5","0.8","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H44 N4 Si4 Zn -","- C22 H44 N4 Si4 Zn -","- C176 H352 N32 Si32 Zn8 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0445","0.034","","","0.07","0.0718","","","","","","0.969","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556664","23.323","0.005","14.555","0.003","17.009","0.007","90","","90","0.01","90","","5774","3","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H37 B4 Cr O4 W2 -","- C24 H30 B4 Cr O4 W2 -","- C192 H240 B32 Cr8 O32 W16 -","8","2","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","","0.71073","MoKα","","0.2386","0.0879","","","0.158","0.2215","","","","","","0.997","","","","has coordinates","245382","2020-10-21","18:00:00",""
"1556682","16.166","0.004","11.279","0.005","12.294","0.003","90","","90","","90","","2241.6","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H33 B10 Cl Ge N2 -","- C15 H33 B10 Cl Ge N2 -","- C60 H132 B40 Cl4 Ge4 N8 -","4","1","","Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T.","Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates","Inorganics","2019","7","","41","","10.3390/inorganics7030041","","","0.71073","MoKα","","0.0496","0.048","","","0.1221","0.1231","","","","","","1.142","","","","has coordinates","245426","2020-10-21","18:00:00",""
"1556769","40.692","0.003","5.4524","0.0003","16.3546","0.0009","90","","90","","90","","3628.6","0.4","100","2","100","2","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C19 H19 N O8 -","- C19 H19 N O8 -","- C152 H152 N8 O64 -","8","2","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0573","0.0483","","","0.1016","0.1079","","","","","","1.027","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1557057","25.447","0.003","6.3811","0.0008","24.281","0.003","90","","90","","90","","3942.7","0.8","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H27 B O2 -","- C22 H27 B O2 -","- C176 H216 B8 O16 -","8","2","","Rami, Fabian; Bächtle, Franziska; Plietker, Bernd","Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity","Catalysis Science & Technology","2020","10","5","1492","1497","10.1039/C9CY02461A","","","0.71073","MoKα","","0.0574","0.045","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","265223","2021-05-14","14:10:14",""
"1557253","28.768","0.009","11.456","0.004","18.185","0.006","90","","90","","90","","5993","3","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Am Br3 O3 P3 -","- C54 H99 Am Br3 O3 P3 -","- C216 H396 Am4 Br12 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0606","0.0399","","","0.0787","0.0858","","","","","","1.081","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557254","28.7058","0.001","11.4228","0.0004","18.1359","0.0007","90","","90","","90","","5946.8","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Nd O3 P3 -","- C54 H99 Br3 Nd O3 P3 -","- C216 H396 Br12 Nd4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0608","0.0405","","","0.068","0.0777","","","","","","1.037","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557255","28.92","0.005","11.434","0.002","18.209","0.003","90","","90","","90","","6021.2","1.8","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Ce O3 P3 -","- C54 H99 Br3 Ce O3 P3 -","- C216 H396 Br12 Ce4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0499","0.0353","","","0.0663","0.0726","","","","","","1.057","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557256","28.879","0.0016","11.4223","0.0007","18.2083","0.001","90","","90","","90","","6006.3","0.6","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 La O3 P3 -","- C54 H99 Br3 La O3 P3 -","- C216 H396 Br12 La4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.051","0.0348","","","0.0566","0.062","","","","","","1.093","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557257","28.7155","0.0012","11.4126","0.0004","18.1299","0.0008","90","","90","","90","","5941.5","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 O3 P3 Pr -","- C54 H99 Br3 O3 P3 Pr -","- C216 H396 Br12 O12 P12 Pr4 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0481","0.0317","","","0.0556","0.0617","","","","","","1.055","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557400","20.7096","0.0003","6.4384","0.0001","15.5735","0.0002","90","","90","","90","","2076.52","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 B Br O2 -","- C22 H26 B Br O2 -","- C88 H104 B4 Br4 O8 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.044","0.0438","","","0.1085","0.1089","","","","","","1.045","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557427","17.5144","0.0004","22.5809","0.0005","11.9905","0.0003","90","","90","","90","","4742.13","0.19","128","2","128","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl2 N O10 -","- C19 H33 Cl2 N O10 -","- C152 H264 Cl16 N8 O80 -","8","2","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.1468","0.1454","","","0.2981","0.2988","","","","","","1.089","","","","has coordinates","248622","2020-10-21","18:00:00",""
"1557554","12.16","0.003","8.519","0.002","27.78","0.01","90","","90","","90","","2877.8","1.4","","","163","","","","","","","","","4","P c a 21","P 2c -2ac","29","t-2-Nitro-r-1-trinitromethyl-1,2-dihydrodibenzofuran","","","- C13 H8 N4 O9 -","- C13 N4 O9 -","- C104 N32 O72 -","8","2","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Wood, Bryan R.","Photochemical Nitration by Tetranitromethane. Part XXX. Product Isolation and Identification in the Photochemical Reaction of Dibenzofuran","Acta Chemica Scandinavica","1996","50","","587","595","10.3891/acta.chem.scand.50-0587","","x-ray","0.71069","MoKα","","","0.034","","","","0.057","","","","","","","","","","has coordinates","249190","2020-10-21","18:00:00",""
"1557852","18","0.006","9.537","0.003","7.754","0.003","90","","90","","90","","1331.1","0.8","182","2","181.65","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 O6 S -","- C13 H14 O6 S -","- C52 H56 O24 S4 -","4","1","","Yuan, Wei-Hua; Teng, Meng-Ting; Yun, Yang-Fang; Jiang, Nan; Ma, Lin; Sun, Shan-Shan; Yuan, Bo; Tang, Jian; Wu, Qian-Yu; Li, Qian; Zhang, Peng; Morris-Natschke, Susan L; Lee, Kuo-Hsiung","Talarolactone A, an Isocoumarin Derivative Fused with Dihydrothiophene with Selective Antimigratory Activity from the Endolichenic Fungus <i>Talaromyces</i> sp.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00024","","","0.71073","MoKα","","0.0768","0.0559","","","0.1146","0.1239","","","","","","1.047","","","","has coordinates","251046","2020-10-21","18:00:00",""
"1558441","11.942","0.009","5.399","0.001","17.503","0.006","90","","90","","90","","1128.5","1","","","290","","","","","","","","","4","P c a 21","P 2c -2ac","29","cis-3-hydroxy-4a,5,6,7,8,8a-hexahydro- 4H-thiochromene-2-carboxylic acid methyl ester","","","- C11 H16 O3 S -","- C11 O3 S -","- C44 O12 S4 -","4","1","","Koskimies, Jorma; Uggla, Rolf; Sundberg, Markku R.","A Sulfur-Stabilized Enol","Acta Chemica Scandinavica","1994","48","","417","422","10.3891/acta.chem.scand.48-0417","","x-ray","0.71069","MoKα","","","0.052","","","0.061","","","","","","","2.53","","","","has coordinates","253554","2020-10-21","18:00:00",""
"1558536","18.4073","0.0017","13.2209","0.0015","6.2891","0.0006","90","","90","","90","","1530.5","0.3","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 O2 Te -","- C18 H16 O2 Te -","- C72 H64 O8 Te4 -","4","1","","Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi","Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer","Polymer Chemistry","2020","11","29","4693","4698","10.1039/D0PY00724B","","","0.71075","MoKα","","","0.0472","","","","0.1507","","","","","","1.02","","","","has coordinates","257930","2020-10-21","18:00:00",""
"1558540","7.1672","0.0003","13.7037","0.0005","17.9697","0.0008","90","","90","","90","","1764.93","0.13","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 Cl2 N Ru -","- C19 H21 Cl2 N Ru -","- C76 H84 Cl8 N4 Ru4 -","4","1","","Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram","One-pot dual catalysis for the hydrogenation of heteroarenes and arenes","Catalysis Science & Technology","2020","10","15","5163","5170","10.1039/D0CY00928H","","x-ray","0.71073","MoKα","","0.0273","0.0232","","","0.0463","0.0477","","","","","","1.06","","","","has coordinates","257216","2020-10-21","18:00:00",""
"1558770","12.67","0.008","11.135","0.006","13.004","0.008","90","","90","","90","","1834.6","1.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H28 B N -","- C21 H28 B N -","- C84 H112 B4 N4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0484","0.039","","","0.0905","0.0961","","","","","","1.034","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558778","21.577","0.005","8.0109","0.0019","34.845","0.008","90","","90","","90","","6023","2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H51 B Cl N P Rh -","- C28 H51 B Cl N P Rh -","- C224 H408 B8 Cl8 N8 P8 Rh8 -","8","2","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0695","0.053","","","0.1146","0.1221","","","","","","1.099","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558877","36.4926","0.0013","14.6058","0.0004","45.4204","0.0013","90","","90","","90","","24209.2","1.3","150","0.1","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C212 H260 N20 O76 Zn8 -","- C212 H220 N20 O56 Zn8 -","- C848 H880 N80 O224 Zn32 -","4","1","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","Inclusion of viologen cations leads to switchable metal-organic frameworks.","Faraday discussions","2021","225","","414","430","10.1039/c9fd00137a","","x-ray","1.54184","CuKα","","0.098","0.0788","","","0.2031","0.2252","","","","","","1.047","","","","has coordinates,has disorder","261709","2021-02-04","23:22:29",""
"1558959","18.2149","0.0007","8.1437","0.0004","12.0108","0.0004","90","","90","","90","","1781.64","0.13","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H24 B10 -","- C13 H24 B10 -","- C52 H96 B40 -","4","1","","Zhang, Jie; Tang, Cen; Xie, Zuowei","Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes","Chemical Science","2020","","","","","10.1039/D0SC04465B","","","0.71073","MoKα","","0.0474","0.0409","","","0.1066","0.1131","","","","","","1.064","","","","has coordinates","255811","2020-10-21","18:00:00",""
"1559139","19.77529","0.00005","13.53091","0.00004","15.04125","0.00005","90","","90","","90","","4024.7","0.02","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C45 H50 Cu F3 N6 O2 -","- C45 H50 Cu F3.003 N6 O2 -","- C180 H200 Cu4 F12.012 N24 O8 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0256","0.0253","","","0.0674","0.0677","","","","","","1.047","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559140","20.1211","0.0002","13.39232","0.00018","15.13962","0.00018","90","","90","","90","","4079.65","0.08","95","2","95","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C44 H50 Cu F3 N6 O3 S -","- C44 H50 Cu F3 N6 O3 S -","- C176 H200 Cu4 F12 N24 O12 S4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0382","0.0371","","","0.1018","0.1029","","","","","","1.039","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559270","18.4602","0.0007","18.1913","0.0008","16.0356","0.0006","90","","90","","90","","5385","0.4","110","","110","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H77.78 B2 Ir2 O2 P4 -","- C54 H77.775 B2 Ir2 O2 P4 -","- C216 H311.1 B8 Ir8 O8 P16 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene","Chemical Science","2020","","","","","10.1039/D0SC04748A","","","0.71073","MoKα","","0.0388","0.0339","","","0.0651","0.067","","","","","","1.106","","","","has coordinates,has disorder","257194","2020-10-21","18:00:00",""
"1559408","25.006","0.002","5.0337","0.0006","8.5646","0.0006","90","","90","","90","","1078.05","0.17","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate","","- C12 H10 O6 -","- C12 H10 O6 -","- C48 H40 O24 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework","IUCrData","2020","5","10","x201391","","10.1107/S2414314620013917","","","0.71073","MoKα","","0.0743","0.0503","","","0.1204","0.1352","","","","","","0.908","","","","has coordinates,has Fobs","258593","2020-10-24","04:23:41",""
"1559548","16.2421","0.0011","5.0967","0.0004","30.102","0.002","90","","90","","90","","2491.9","0.3","295","2","295.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H15 Br F N O -","- C13 H15 Br F N O -","- C104 H120 Br8 F8 N8 O8 -","8","2","","Leung, Joyce C.; Nguyen, Thach T.; Krawiec, Mariusz; Gao, Donghong A.; Reeves, Jonathan T.","Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00444","","x-ray","1.54178","CuKα","","0.0764","0.0758","","","0.1923","0.1928","","","","","","1.102","","","","has coordinates","259240","2020-11-25","00:50:03",""
"1559711","13.569","0.0002","14.2212","0.0002","7.5004","0.0001","90","","90","","90","","1447.33","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H17 I O -","- C17 H17 I O -","- C68 H68 I4 O4 -","4","1","","BLANGETTI, Marco; O’SHEA, Donal F.","Crystal Structure of <i>rac</i>-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality","X-ray Structure Analysis Online","2020","36","0","45","46","10.2116/xraystruct.36.45","","","1.54184","CuKα","","0.029","0.0281","","","0.0733","0.0741","","","","","","1.052","","","","has coordinates","259631","2020-12-06","15:01:22",""
"1559739","18.079","0.0007","30.1771","0.001","14.9963","0.0005","90","","90","","90","","8181.6","0.5","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 -","- C83 H71 F24 N4 O1.5 P4 -","- C332 H284 F96 N16 O6 P16 -","4","1","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.2408","0.2223","","","0.5377","0.5699","","","","","","2.177","","","","has coordinates,has disorder","262730","2021-03-05","02:28:29",""
"1559841","20.8225","0.0005","6.4118","0.0002","17.4976","0.0004","90","","90","","90","","2336.1","0.11","301","2","301","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B9 Dy7 K3 Li3 O27 -","- B9 Dy7 K3 Li3 O27 -","- B36 Dy28 K12 Li12 O108 -","4","1","","Chen, P.Y.; Wang, Guirong","Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb)","Solid State Sciences","2020","108","","106442","","10.1016/j.solidstatesciences.2020.106442","","","0.71073","MoKα","","0.0152","0.0151","","","0.0367","0.0368","","","","","","1.277","","","","has coordinates","260058","2020-12-21","18:03:53",""
"1559842","20.9218","0.0009","6.442","0.0003","17.5285","0.0008","90","","90","","90","","2362.46","0.18","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B9 K3 Li3 O27 Tb7 -","- B9 K3 Li3 O27 Tb7 -","- B36 K12 Li12 O108 Tb28 -","4","1","","Chen, P.Y.; Wang, Guirong","Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb)","Solid State Sciences","2020","108","","106442","","10.1016/j.solidstatesciences.2020.106442","","","0.71073","MoKα","","0.0235","0.0195","","","0.0305","0.0313","","","","","","1.069","","","","has coordinates","260059","2020-12-21","18:04:55",""
"1560190","10.2859","0.0006","10.6455","0.0006","7.6374","0.0005","90","","90","","90","","836.28","0.09","120.03","","120.03","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0614","0.0414","","","0.0856","0.0977","","","","","","1.046","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560236","17.6827","0.0001","10.4422","0.0001","22.5408","0.0002","90","","90","","90","","4162.08","0.06","99.97","0.13","99.97","0.13","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H43 Ba N6 O11 S2 -","- C32 H43 Ba N6 O11 S2 -","- C128 H172 Ba4 N24 O44 S8 -","4","1","","Abou, Diane S.; Thiele, Nikki A.; Gutsche, Nicholas T.; Villmer, Alexandria; Zhang, Hanwen; Woods, Joshua J.; Baidoo, Kwamena E.; Escorcia, Freddy E.; Wilson, Justin J.; Thorek, Daniel L. J.","Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand","Chemical Science","2021","12","10","3733","3742","10.1039/D0SC06867E","","x-ray","1.54184","CuKα","","0.0702","0.0698","","","0.2009","0.2018","","","","","","1.113","","","","has coordinates,has disorder","263665","2021-04-05","14:12:03",""
"1560249","11.3956","0.00015","15.6766","0.0002","18.1208","0.0003","90","","90","","90","","3237.18","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H44 O P2 -","- C38 H44 O P2 -","- C152 H176 O4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0384","0.0367","","","0.0966","0.0984","","","","","","1.019","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560298","12.6493","0.0002","9.244","0.0002","18.0005","0.0003","90","","90","","90","","2104.8","0.07","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","methyl 4-(5,5-difluoro-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)-2-methylene-3-phenylpentanoate","","- C22 H21 B F2 N2 O2 -","- C22 H21 B F2 N2 O2 -","- C88 H84 B4 F8 N8 O8 -","4","1","","Meazza, Marta; Cruz, Carlos M.; Ortuño, Ana M.; Cuerva, Juan M.; Crovetto, Luis; Rios, Ramon","Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates","Chemical Science","2021","12","12","4503","4508","10.1039/D0SC06574A","","x-ray","0.71073","MoKα","","0.0724","0.0612","","","0.1535","0.1622","","","","","","1.09","","","","has coordinates","263717","2021-04-05","14:30:35",""
"1560409","20.7431","0.0008","6.3873","0.0002","17.4741","0.0007","90","","90","","90","","2315.19","0.15","303","2","303","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B9 K3 Li3 O27 Y7 -","- B9 K3 Li3 O27 Y7 -","- B36 K12 Li12 O108 Y28 -","4","1","","Bräuchle, Sebastian; Huppertz, Hubert","Synthesis and structural characterization of Li3K3Y7(BO3)9","Journal of Solid State Chemistry","2017","253","","242","248","10.1016/j.jssc.2017.05.044","","","0.71073","MoKα","","0.0472","0.0338","","","0.0592","0.0627","","","","","","1.029","","","","has coordinates","262000","2021-02-16","08:42:23",""
"1560484","11.0445","0.001","7.008","0.0006","4.9633","0.0005","90","","90","","90","","384.16","0.06","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- H O5 Te V -","- H O5 Te V -","- H4 O20 Te4 V4 -","4","1","","Liang, Ming-Li; Marsh, Matthew; Shang, Xian-Xing; Mao, Jiang-Gao; Albrecht-Schmitt, Thomas E.; Kong, Fang","New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO 4 (OH), centrosymmetric Ba 2 V 4 O 8 (Te 3 O 10 )","Journal of Solid State Chemistry","2017","249","","21","26","10.1016/j.jssc.2017.02.016","","","0.71073","MoKα","","0.0369","0.0352","","","0.0837","0.0853","","","","","","1.084","","","","has coordinates","262090","2021-02-19","10:43:38",""
"1560486","23.488","0.004","13.488","0.003","6.8185","0.0012","90","","90","","90","","2160.1","0.7","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H16 F4 N2 O2 -","- C26 H16 F4 N2 O2 -","- C104 H64 F16 N8 O8 -","4","1","","Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya","Fast T-Type Photochromic Crystals of Diarylbenzene","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.0c10988","","","0.71075","MoKα","","0.0322","0.0303","","","0.0708","0.0722","","","","","","1.056","","","","has coordinates","262093","2021-02-20","00:23:48",""
"1560720","14.1011","0.0009","14.1412","0.0008","41.847","0.003","90","","90","","90","","8344.6","0.9","120.72","","120.72","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H48 N8 S6 -","- C42 H48 N8 S6 -","- C336 H384 N64 S48 -","8","2","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0839","0.0699","","","0.1598","0.1666","","","","","","1.027","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1561228","17.2099","0.0009","35.155","0.002","18.6605","0.001","90","","90","","90","","11289.9","1.1","150","","150","","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","","","- C116 H148 Ba2 O11 Sn4 -","- C116 H148 Ba2 O11 Sn4 -","- C464 H592 Ba8 O44 Sn16 -","4","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0744","0.0606","","","0.1355","0.1447","","","","","","1.12","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561302","13.2837","0.0007","13.6926","0.0007","11.261","0.0006","90","","90","","90","","2048.25","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H16 N6 O6 Zn2 -","- C18 H16 N6 O6 Zn2 -","- C72 H64 N24 O24 Zn8 -","4","1","","Feng, Chao; Zhao, Hong; Li, Zong-Qun","Highly efficient electrochemiluminescence on microporous MOFs containing zinc secondary building units with a pcu net","Journal of Solid State Chemistry","2018","258","","841","844","10.1016/j.jssc.2017.12.011","","","0.71073","MoKα","","0.0349","0.0298","","","0.0739","0.0772","","","","","","1.07","","","","has coordinates","263367","2021-03-26","10:20:14",""
"1561716","7.1037","0.0006","12.7915","0.001","31.132","0.003","90","","90","","90","","2828.9","0.4","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C29 H22 F6 N2 O7 Zn -","- C29 H22 F6 N2 O7 Zn -","- C116 H88 F24 N8 O28 Zn4 -","4","1","","Li, Lin; Liu, Chong-Bo; Yang, Gao-Shan; Xiong, Zhi-Qiang; Liu, Hong; Wen, Hui-Liang","Zn(II) coordination polymers with flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","231","","70","79","10.1016/j.jssc.2015.08.006","","","0.71073","MoKα","","0.0393","0.0318","","","0.0785","0.0823","","","","","","1.031","","","","has coordinates","264123","2021-04-14","07:22:47",""
"1562088","18.2988","0.0006","8.929","0.0003","15.5317","0.0008","90","","90","","90","","2537.72","0.18","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H38 Cd N2 O7 -","- C24 H38 Cd N2 O7 -","- C96 H152 Cd4 N8 O28 -","4","1","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0323","0.0261","","","0.0605","0.0635","","","","","","1.038","","","","has coordinates","264531","2021-04-26","08:13:48",""
"1562158","14.429","0.003","17.916","0.004","17.441","0.004","90","","90","","90","","4508.7","1.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C50 H37 Cd2 N6 O11.5 S -","- C50 H35 Cd2 N6 O11.5 S -","- C200 H140 Cd8 N24 O46 S4 -","4","1","","Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair","A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics","Journal of Solid State Chemistry","2015","221","","345","350","10.1016/j.jssc.2014.10.002","","","0.71073","MoKα","","0.0605","0.0465","","","0.1123","0.1225","","","","","","1.06","","","","has coordinates,has disorder","264587","2021-04-27","09:19:11",""
"1562159","14.424","0.003","17.798","0.004","17.195","0.003","90","","90","","90","","4414.3","1.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C50 H35.5 Mn2 N6 O10.75 S -","- C50 H35.5 Mn2 N6 O10.75 S -","- C200 H142 Mn8 N24 O43 S4 -","4","1","","Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair","A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics","Journal of Solid State Chemistry","2015","221","","345","350","10.1016/j.jssc.2014.10.002","","","0.71073","MoKα","","0.0481","0.0383","","","0.1092","0.1296","","","","","","1.107","","","","has coordinates","264587","2021-04-27","09:19:12",""
"1562581","23.1337","0.0006","13.6375","0.0004","14.1822","0.0003","90","","90","","90","","4474.3","0.2","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H64 N3 O15 P5 Zn4 -","- C24 H58 N3 O15 P5 Zn4 -","- C96 H232 N12 O60 P20 Zn16 -","4","1","","Wang, Chih-Min; Chiu, Cheng-Wei; Lin, Hsiu-Mei; Lii, Kwang-Hwa","Synthesis and characterization of three-layered zinc phosphites containing tert-octylamine molecules with template and ligand roles","Journal of Solid State Chemistry","2013","204","","16","20","10.1016/j.jssc.2013.05.003","","","0.71073","MoKα","","0.116","0.0482","","","0.0901","0.1123","","","","","","0.998","","","","has coordinates","265265","2021-05-17","07:40:51",""
"1563271","13.9538","0.0016","6.9261","0.0009","4.7629","0.0006","90","","90","","90","","460.31","0.1","294.86","0.1","294.86","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- F2 Ga H2 I O4 -","- F2 Ga H2 I O4 -","- F8 Ga4 H8 I4 O16 -","4","1","","Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Fang, Zhi; Lin, Yuan; Chen, Jin; Li, Bing-Xuan; Mao, Jiang-Gao","[GaF(H2O)][IO3F]: a promising NLO material obtained by anisotropic polycation substitution","Chemical Science","2021","","","","","10.1039/D1SC01401C","","x-ray","0.71073","MoKα","","0.0388","0.0369","","","0.0804","0.0814","","","","","","1.058","","","","has coordinates,has disorder","266338","2021-06-10","01:28:02",""
"1563595","10.849","0.003","16.888","0.005","18.019","0.006","90","","90","","90","","3301.4","1.7","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H51 N Ni P2 -","- C36 H51 N Ni P2 -","- C144 H204 N4 Ni4 P8 -","4","1","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0694","0.0492","","","0.1171","0.1297","","","","","","1.062","","","","has coordinates","266584","2021-06-20","00:49:55",""
"1563596","17.2049","0.0009","18.875","0.0011","10.0825","0.0006","90","","90","","90","","3274.2","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C35 H49 N Ni P2 -","- C35 H49 N Ni P2 -","- C140 H196 N4 Ni4 P8 -","4","1","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0539","0.0448","","","0.0984","0.1016","","","","","","1.046","","","","has coordinates","266584","2021-06-20","00:49:56",""
"1563599","17.416","0.007","19.138","0.007","10.025","0.004","90","","90","","90","","3341","2","273","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H51 N Ni P2 -","- C36 H51 N Ni P2 -","- C144 H204 N4 Ni4 P8 -","4","1","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0734","0.0445","","","0.1043","0.1214","","","","","","0.722","","","","has coordinates","266584","2021-06-20","00:49:57",""
"1564005","14.4154","0.0007","10.4109","0.0004","21.8501","0.0011","90","","90","","90","","3279.2","0.3","140","2","140","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H24 Bi2 Br2 Cl9 N3 -","- C18 H24 Bi2 Br2 Cl9 N3 -","- C72 H96 Bi8 Br8 Cl36 N12 -","4","1","","Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Fedin, Vladimir P.; Sokolov, Maxim N.; Adonin, Sergey A.","Hybrid chlorobismuthate(III) “trapping” Br2 unit: Crystal structure and theoretical investigation of non-covalent Cl⋯Br interactions in (1-MePy)3{[Bi2Cl9](Br2)}","Inorganica Chimica Acta","2020","513","","119932","","10.1016/j.ica.2020.119932","","","0.71073","MoKα","","0.0466","0.0387","","","0.0834","0.0893","","","","","","1.031","","","","has coordinates","267334","2021-07-07","09:05:16",""
"1564207","13.866","0.003","14.341","0.003","23.383","0.004","90","","90","","90","","4649.8","1.6","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H28 N4 Ni O4 -","- C22 H28 N4 Ni O4 -","- C176 H224 N32 Ni8 O32 -","8","2","","Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.","Nickel-mediated N–N bond formation and N2O liberation via nitrogen oxyanion reduction","Chemical Science","2021","","","","","10.1039/D1SC02846D","","","0.71073","MoKα","","0.0858","0.062","","","0.1114","0.1196","","","","","","1.051","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1564315","10.2828","0.0016","9.526","0.0015","7.9993","0.0013","90","","90","","90","","783.6","0.2","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Machida, Shiori; Kida, Motoki; Muramatsu, Satoru; Hirao, Takehiro; Haino, Takeharu; Inokuchi, Yoshiya","Gas-Phase UV Spectroscopy of Chemical Intermediates Produced in Solution: Oxidation Reactions of Phenylhydrazines by DDQ.","The journal of physical chemistry. A","2021","125","31","6697","6702","10.1021/acs.jpca.1c04669","","","0.71073","MoKa","","0.0421","0.0363","","","0.0768","0.08","","","","","","0.994","","","","has coordinates","268480","2021-09-04","03:00:31",""
"1564660","17.7597","0.0007","14.3832","0.0005","10.4096","0.0004","90","","90","","90","","2659.04","0.17","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H29 Cl N4 O -","- C31 H29 Cl N4 O -","- C124 H116 Cl4 N16 O4 -","4","1","","Wong, Jeff Yuk Fung; Thomson, Christopher; Vilela, Filipe; Barker, Graeme","Flash Chemistry Enables High Productivity Metalation-Substitution of 5-Alkyltetrazoles","Chemical Science","2021","","","","","10.1039/D1SC04176B","","","1.54178","CuKα","","0.0749","0.0735","","","0.1876","0.1885","","","","","","1.195","","","","has coordinates","269157","2021-09-15","22:09:31",""
"1564663","24.5244","0.0015","25.6507","0.0014","10.3465","0.0006","90","","90","","90","","6508.7","0.7","100.01","0.11","100.01","0.11","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41.5 H36 Cl N O2 -","- C41.5 H36 Cl N O2 -","- C332 H288 Cl8 N8 O16 -","8","2","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","x-ray","0.71073","MoKα","","0.108","0.0816","","","0.1976","0.2232","","","","","","1.034","","","","has coordinates","269158","2021-09-15","22:10:20",""
"1564685","31.9","0.03","8.761","0.009","5.796","0.006","90","","90","","90","","1620","3","296","2","296.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H15 F3 -","- C21 H15 F3 -","- C84 H60 F12 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.0769","0.0636","","","0.1387","0.1444","","","","","","1.133","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564697","14.0413","0.0003","7.0334","0.0002","27.4163","0.0009","90","","90","","90","","2707.58","0.13","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C120 H128 O40 -","8","2","","Haughey, Maxwell B.; Christensen, Kirsten E.; Poole, Darren L.; Donohoe, Timothy J.","Development of an enolate alkynylation approach towards the synthesis of the taiwanschirin natural products","Chemical Science","2021","","","","","10.1039/D1SC04247E","","","1.54184","CuKα","","0.0391","0.0355","","0.095","0.0906","0.0949","","","","","","0.9983","","","","has coordinates","269219","2021-09-20","22:14:55",""
"1565103","27.0219","0.0003","9.8218","0.0001","18.6325","0.0002","90","","90","","90","","4945.13","0.09","150","","150","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C16 H17 Cl2 F6 I N2 O6 S2 -","- C16 H17 Cl2 F6 I N2 O6 S2 -","- C128 H136 Cl16 F48 I8 N16 O48 S16 -","8","2","","Bakro, Aseel; Sharp-Bucknall, Lachlan; Poynder, Tiffany B.; Clegg, Jack K.; Wilson, David J. D.; Dutton, Jason L.","Lewis acid activation of Weiss’ reagents ([PhI(Pyr) <sub>2</sub> ] <sup>2+</sup> ) with boranes and isolation of [PhI(4-DMAP)] <sup>2+</sup>","Chemical Communications","2021","57","91","12163","12166","10.1039/D1CC04725F","","","1.54184","CuKα","","0.0549","0.0538","","","0.1403","0.1417","","","","","","1.0344","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1565471","24.842","0.005","4.931","0.0009","5.9195","0.0012","90","","90","","90","","725.1","0.2","150","","150.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","5FA-Ag","","","- C7 H5 Ag F N O2 -","- C7 H5 Ag F N O2 -","- C28 H20 Ag4 F4 N4 O8 -","4","1","","Manzano, Carlos M.; Nakahata, Douglas H.; Tenorio, Juan C.; Lustri, Wilton R.; Resende Nogueira, Flávia A.; Aleixo, Nadia A.; da Silva Gomes, Pietra S.; Pavan, Fernando R.; Grecco, Julia A.; Ribeiro, Camila M.; Corbi, Pedro P.","Silver complexes with fluoroanthranilic acid isomers: Spectroscopic characterization, antimycobacterial activity and cytotoxic studies over a panel of tumor cells","Inorganica Chimica Acta","2020","502","","119293","","10.1016/j.ica.2019.119293","","x-ray","0.71073","MoKα","","0.0368","0.0334","","","0.0671","0.0682","","","","","","1.232","","","","has coordinates","270975","2021-12-02","08:28:19",""
"1565720","16.5607","0.0006","8.1303","0.0003","59.7044","0.0013","90","","90","","90","","8038.8","0.5","173","0.1","173","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H28 F12 O4 P2 S4 U -","- C32 H28 F12 O4 P2 S4 U -","- C256 H224 F96 O32 P16 S32 U8 -","8","2","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","1.54184","CuKα","","0.0791","0.0672","","","0.1675","0.1779","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","272819","2022-02-06","04:39:59",""
"1565972","22.958","0.0007","9.4271","0.0003","7.0146","0.0003","90","","90","","90","","1518.15","0.09","120","0.1","120","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H13 B Br N -","- C20 H13 B Br N -","- C80 H52 B4 Br4 N4 -","4","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","0.71073","MoKα","","0.0544","0.0353","","","0.0624","0.0679","","","","","","1.035","","","","has coordinates","272580","2022-02-04","19:12:53",""
"1565977","17.199","0.0004","21.6914","0.0005","54.059","0.0012","90","","90","","90","","20167.8","0.8","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H117 F2 N3 O32 V12 -","- C52 H117 F2 N3 O32 V12 -","- C416 H936 F16 N24 O256 V96 -","8","2","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.1321","0.0905","","","0.2017","0.2254","","","","","","1.057","","","","has coordinates","274936","2022-05-05","20:17:35",""
"1566000","24.842","0.005","14.238","0.003","18.216","0.004","90","","90","","90","","6443","2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H50 B2 Na Nd O7 -","- C26 H50 B2 Na Nd O7 -","- C208 H400 B16 Na8 Nd8 O56 -","8","2","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.0532","0.0403","","","0.0768","0.0812","","","","","","0.988","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1566042","20.1848","0.0006","11.9034","0.0003","19.6102","0.0006","90","","90","","90","","4711.7","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[PrL3(5,5'-Me2bipy)]","","","- C54 H36 F9 N2 O6 Pr -","- C54 H36 F9 N2 O6 Pr -","- C216 H144 F36 N8 O24 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0329","0.0266","","","0.0509","0.0534","","","","","","1.029","","","","has coordinates","272129","2022-01-19","09:58:40",""
"1566663","12.6529","0.0005","18.7504","0.0006","15.5836","0.0005","90","","90","","90","","3697.2","0.2","104.9","","104.9","","","","","","","","","8","P c a 21","P 2c -2ac","29","","Potassium (hydrido carbonyl dimethylsulfoxido N,Nï>?-bis(diphenylphosphino)-2,6-diamidopyridino ruthenate (II))","","- C36 H37 K N3 O3 P2 Ru S -","- C36 H37 K N3 O3 P2 Ru S -","- C144 H148 K4 N12 O12 P8 Ru4 S4 -","4","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","x-ray","1.54178","CuKα","","0.06","0.0521","","","0.1374","0.1467","","","","","","1.031","","","","has coordinates,has disorder","275779","2022-06-06","01:37:49",""
"1566811","15.4138","0.0004","5.2751","0.0001","15.4456","0.0005","90","","90","","90","","1255.87","0.06","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 B N4 -","- C15 H11 B N4 -","- C60 H44 B4 N16 -","4","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0477","0.0405","","","0.0907","0.0946","","","","","","1.086","","","","has coordinates","274562","2022-04-18","22:11:17",""
"1566940","21.251","0.0008","10.8765","0.0004","28.794","0.001","90","","90","","90","","6655.3","0.4","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C71 H116 O3 Tm2 -","- C71 H116 O3 Tm2 -","- C284 H464 O12 Tm8 -","4","1","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.0465","0.0356","","","0.0608","0.0645","","","","","","1.014","","","","has coordinates","275283","2022-05-09","22:13:20",""
"1567271","5.4718","0.0007","16.3253","0.0016","5.4616","0.0008","90","","90","","90","","487.88","0.11","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","The crystal structure of russellite","","","- Bi O6 W -","- Bi4 O12 W2 -","- Bi8 O24 W4 -","2","0.5","","Pedanekar, R S.; Madake, S B.; Narewadikar, N A.; Mohite, S V.; Patil, A R.; Kumbhar, S M.; Rajpure, K Y.","Photoelectrocatalytic degradation of rhodamine B by spray deposited Bi2WO6 photoelectrode under solar radiation","Materials Research Bulletin","2022","147","","111639","","10.1016/j.materresbull.2021.111639","","","","","","","","","","","","","","","","","","","","","has coordinates","276767","2022-07-14","06:05:39",""
"1567282","40.9226","0.0008","6.2134","0.0001","11.86","0.0002","90","","90","","90","","3015.62","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H31 N3 O S2 -","- C38 H31 N3 O S2 -","- C152 H124 N12 O4 S8 -","4","1","","Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan","Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides","Chemical Science","2022","","","","","10.1039/D2SC02172B","","","1.54184","CuKα","","0.0612","0.0547","","","0.1228","0.1278","","","","","","1.014","","","","has coordinates","276800","2022-07-22","22:43:22",""
"1567310","19.7648","0.0012","7.4276","0.0004","16.1962","0.0009","90","","90","","90","","2377.7","0.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H28 O2 S -","- C30 H28 O2 S -","- C120 H112 O8 S4 -","4","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.081","0.0754","","","0.187","0.1936","","","","","","1.104","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567802","33.411","","16.475","","54.849","","90","","90","","90","","30191.4","","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C112 H182 Au22 Cl2 P2 S14 -","- C112 H182 Au22 Cl2 P2 S14 -","- C896 H1456 Au176 Cl16 P16 S112 -","8","2","","Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou","Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters","Nanoscale","2022","","","","","10.1039/D2NR05291A","","","1.54186","CuKα","","0.1443","0.1146","","","0.2797","0.3253","","","","","","1.047","","","","has coordinates","278634","2022-10-19","00:11:28",""
"1567865","13.3902","0.0007","7.685","0.0004","11.6731","0.0006","90","","90","","90","","1201.21","0.11","","","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ammonium uhexafluorohafnate","","- F6 H8 Hf N2 -","- F6 Hf N2 -","- F48 Hf8 N16 -","8","2","","Kavun, V. Ya.; Gerasimenko, A. V.; Sergienko, V. I.; Davidovich, R. L.; Antokhina, T. F.","Complex Ions in Ammonium Hexafluorohafnate: Crystal Structure and Internal Dynamics","Russian Journal of Coordination Chemistry","2002","28","9","630","635","10.1023/A:1020086932004","","x-ray","","MoKα","","","0.03","","","","0.071","","","","","","","","","","has coordinates","278832","2022-10-27","20:49:27",""
"1567950","26.661","0.004","15.845","0.003","19.116","0.003","90","","90","","90","","8075","2","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C82 H81 B F20 N2 O Si U -","- C82 H81 B F20 N2 O Si U -","- C328 H324 B4 F80 N8 O4 Si4 U4 -","4","1","","Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F.","Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity","Chemical Science","2022","","","","","10.1039/D2SC04302E","","","0.71073","MoKα","","0.1096","0.0522","","","0.1029","0.1274","","","","","","1.015","","","","has coordinates","279214","2022-11-10","23:13:50",""
"1567952","26.5251","0.0018","15.7375","0.0011","18.8824","0.0013","90","","90","","90","","7882.2","0.9","100","2","100","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C87 H83 B F22 N2 O Si U -","- C87 H83 B F22 N2 O Si U -","- C348 H332 B4 F88 N8 O4 Si4 U4 -","4","1","","Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F.","Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity","Chemical Science","2022","","","","","10.1039/D2SC04302E","","","0.71073","MoKα","","0.0485","0.0301","","","0.062","0.0669","","","","","","1","","","","has coordinates,has disorder","279214","2022-11-10","23:13:51",""
"1568240","21.779","0.003","3.8696","0.0004","24.33","0.003","90","","90","","90","","2050.4","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H8 N4 O3 Se -","- C7 H8 N4 O3 Se -","- C56 H64 N32 O24 Se8 -","8","2","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0466","0.0421","","","0.0886","0.0903","","","","","","1.11","","","","has coordinates","286135","2023-09-05","19:55:21",""
"1568354","14.475","0.0015","22.912","0.002","31.837","0.003","90","","90","","90","","10558.8","1.7","120","","120","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C60 H46 Cl6 N4 O8 -","- C60 H46 Cl6 N4 O8 -","- C480 H368 Cl48 N32 O64 -","8","2","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.1825","0.1111","","","0.2443","0.2831","","","","","","1.022","","","","has coordinates,has disorder","282302","2023-04-04","10:03:40",""
"1568362","18.1649","0.0003","8.3747","0.0001","23.0541","0.0005","90","","90","","90","","3507.12","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H15 F6 N3 O4 S2 -","- C11 H15 F6 N3 O4 S2 -","- C88 H120 F48 N24 O32 S16 -","8","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0693","0.0577","","","0.1546","0.1676","","","","","","1.073","","","","has coordinates","283153","2023-05-05","00:55:56",""
"1568561","10.1596","0.0007","11.7047","0.0008","16.363","0.0011","90","","90","","90","","1945.8","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H28 Cl N3 O6 Ru -","- C16 H28 Cl N3 O6 Ru -","- C64 H112 Cl4 N12 O24 Ru4 -","4","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0247","0.0239","","","0.0525","0.0528","","","","","","1.142","","","","has coordinates","282243","2023-04-04","09:26:41",""
"1568821","7.8557","0.0003","9.7053","0.0003","38.6997","0.0009","90","","90","","90","","2950.54","0.16","100.01","0.1","100.01","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C160 H96 N16 -","8","2","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.1097","0.1136","","","","","","1.057","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568863","21.5514","0.0003","13.0869","0.0002","29.0951","0.0004","90","","90","","90","","8206","0.2","100","0.3","100","0.3","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C94 H136 Ca Mg N4 -","- C94 H136 Ca Mg N4 -","- C376 H544 Ca4 Mg4 N16 -","4","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1356","0.1425","","","","","","1.02","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568901","32.8739","0.001","10.3807","0.0003","12.109","0.0003","90","","90","","90","","4132.2","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H36 N2 Se -","- C19 H36 N2 Se -","- C152 H288 N16 Se8 -","8","2","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0783","0.0386","","","0.0792","0.0844","","","","","","0.839","","","","has coordinates","284217","2023-06-05","03:59:15",""
"1569110","19.1967","0.0009","13.7962","0.0006","13.848","0.0006","90","","90","","90","","3667.5","0.3","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C184 H152 N8 O40 -","8","2","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0343","0.0341","","","0.0903","0.0906","","","","","","1.045","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569385","27.9781","0.0006","12.6688","0.0003","28.6912","0.0006","90","","90","","90","","10169.6","0.4","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C55 H75 N6 P -","- C55 H75 N6 P -","- C440 H600 N48 P8 -","8","2","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0748","0.0641","","","0.1602","0.1679","","","","","","1.085","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569559","11.1315","0.0004","16.475","0.0006","10.7131","0.0004","90","","90","","90","","1964.69","0.12","100","0.1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C96 H104 O12 -","4","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.0556","0.0482","","","0.1261","0.1418","","","","","","1.108","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569812","12.6058","0.0007","20.0622","0.0015","9.0538","0.0005","90","","90","","90","","2289.7","0.2","113.15","","113.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C88 H68 Cl8 F24 N12 O12 -","4","1","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","0.71073","MoKα","","0.083","0.0518","","","0.0866","0.0971","","","","","","1.041","","","","has coordinates","286229","2023-09-06","03:38:40",""
"1570406","14.8074","0.0002","12.4892","0.0002","20.5366","0.0003","90","","90","","90","","3797.89","0.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(iodomethyl)(triphenyl)phosphanium iodide","","- C19 H17 I2 P -","- C19 H17 I2 P -","- C152 H136 I16 P8 -","8","2","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0232","0.0221","","","0.0527","0.0538","","","","","","1.054","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570503","28.1013","0.0006","8.2546","0.0002","17.2008","0.0004","90","","90","","90","","3989.98","0.16","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H55 Cl3 N4 O2 Pt -","- C41 H55 Cl3 N4 O2 Pt -","- C164 H220 Cl12 N16 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81106","Synchrotron","","0.049","0.0466","","","0.106","0.1074","","","","","","1.144","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570504","21.437","0.003","8.3346","0.0012","22.655","0.004","90","","90","","90","","4047.7","1.1","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H61 Cl N4 O2 Pt -","- C42 H61 Cl N4 O2 Pt -","- C168 H244 Cl4 N16 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.71073","MoKα","","0.059","0.0528","","","0.1375","0.142","","","","","","1.004","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570634","16.2264","0.0003","10.8168","0.0003","20.4792","0.0007","90","","90","","90","","3594.46","0.17","150.01","0.1","150.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H46 Cu N3 O -","- C40 H46 Cu N3 O -","- C160 H184 Cu4 N12 O4 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0615","0.0522","","","0.1377","0.1468","","","","","","1.045","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570735","17.9943","0.0012","10.2787","0.0008","8.054","0.0006","90","","90","","90","","1489.65","0.19","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(ammoniomethyl)pyridin-1-ium triiodo-germanium(ii) iodide","","- C6 H10 Ge I4 N2 -","- C6 H10 Ge I4 N2 -","- C24 H40 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","x-ray","1.34139","GaKα","","0.1367","0.0974","","","0.2609","0.2835","","","","","","1.153","","","","has coordinates","288970","2024-01-09","19:18:47",""
"1570903","19.569","0.004","9.821","0.002","17.575","0.004","90","","90","","90","","3377.7","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0278","0.0252","","","0.0647","0.066","","","","","","1.062","","","","has coordinates,has disorder","289662","2024-02-05","05:06:56",""
"1570908","19.544","0.004","9.842","0.002","17.561","0.004","90","","90","","90","","3377.9","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0422","0.0332","","","0.0822","0.0861","","","","","","1.083","","","","has coordinates,has disorder","289667","2024-02-05","05:08:14",""
"1571068","13.7387","0.0012","20.547","0.002","8.4283","0.0009","90","","90","","90","","2379.2","0.4","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","2","HB4463","Moodley, Cresten; Muller, Alfred; Belay, Yonas H.","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","IUCrData","2024","9","2","","","10.1107/S2414314624001639","","","0.71073","MoKα","","0.1043","0.0518","","","0.0919","0.1106","","","","","","0.998","","","","has coordinates","289981","2024-02-28","03:28:37",""
"1571312","26.718","0.004","9.8834","0.0013","20.648","0.003","90","","90","","90","","5452.4","1.3","125","2","125","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","","- C50 H56 F12 N10 O3 P2 Ru -","- C50 H56 F12 N10 O3 P2 Ru -","- C200 H224 F48 N40 O12 P8 Ru4 -","4","1","BT4148","Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.","Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","IUCrData","2024","9","3","","","10.1107/S2414314624002694","","","0.71073","MoKα","","0.1046","0.092","","","0.1934","0.1987","","","","","","1.184","","","","has coordinates","290712","2024-03-29","03:15:51",""
"2000261","9.324","0.002","12.038","0.003","11.252","0.003","90","","90","","90","","1263","0.5","","","","","","","","","","","","6","P c a 21","P 2c -2ac","","","","","- C10 H14 F3 N O3 S -","- C10 F3 N O3 S -","- C40 F12 N4 O12 S4 -","4","1","HA0039","Tinant, B.; Declercq, J.-P.; Maliverney, C.; Viehe, H. G.","5-Methyl-4-(1-piperidyl)-5-trifluoromethyl-1,2-oxathiole","Acta Crystallographica Section C","1991","47","9","2000","2002","10.1107/S0108270191002238","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000285","10.397","0.004","23.018","0.016","11.667","0.003","90","","90","","90","","2792","2","","","","","","","","","","","","4","P c a 21","","","","","","- C31 H41 N O3 -","- C31 H41 N O3 -","- C124 H164 N4 O12 -","4","1","CR0273","Luss, H. R.; Texter, J.","Structure of <i>N</i>-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-2-naphthalenecarboxamide","Acta Crystallographica Section C","1991","47","7","1491","1493","10.1107/S0108270190012859","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","190701","2020-10-21","18:00:00",""
"2000327","14.358","0.002","9.297","0.001","9.011","0.001","90","","90","","90","","1202.8","0.3","","","","","","","","","","","","3","P c a 21","","","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","LI0057","Zukerman-Schpector, J.; De Simone, C. A.; Castellano, E. E.; Oliva, G.; Tercio, J.; Ferreira, B.; Catani, V.","Structure of 6,7-dimethoxy-2,2-dimethyl-2<i>H</i>-chromene, a natural precocene","Acta Crystallographica Section C","1991","47","5","1111","1113","10.1107/S0108270190011854","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000887","9.424","0.005","17.177","0.009","8.321","0.003","90","","90","","90","","1347","1.1","","","","","","","","","","","","4","P c a 21","P 2c -2ac","","","","","- C11 H22 O3 S -","- C11 H22 O3 S -","- C44 H88 O12 S4 -","4","1","HA0057","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol","Acta Crystallographica Section C","1992","48","5","849","851","10.1107/S0108270191012222","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001088","11.55","0.01","7.877","0.002","16.866","0.005","90","","90","","90","","1534.5","1.5","","","","","","","","","","","","6","P c a 21","P 2c -2ac","","","","","- C9 H16 Cu N4 O6 S -","- C9 H16 Cu N4 O6 S -","- C36 H64 Cu4 N16 O24 S4 -","4","1","LI0094","Haanstra, W. G.; Driessen, W. L.; Reedijk, J.","Structure of [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II)","Acta Crystallographica Section C","1992","48","1","14","16","10.1107/S0108270191009204","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001173","8.594","0.002","14.045","0.006","11.509","0.006","90","","90","","90","","1389.2","1","293","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","HA1049","Soriano-García, M.; Iribe, R. V.; Covarrubias, A.; Olguín, J. S.; Maldonado, L. A.","Structure of 10-hydroxy-4-methoxy-5,9-dimethyltricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-one","Acta Crystallographica Section C","1993","49","12","2140","2141","10.1107/S0108270193005050","","","1.5418","CuKα","","","0.034","","","0.046","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001175","17.77","0.006","5.379","0.009","36.001","0.006","90","","90","","90","","3441","1","294","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C176 H152 N24 -","8","2","PA1035","Toupet, L.; Soufiaoui, M.; Carrie, R.","Etude de la phenylhydrazone du 3-benzoyl-1-methylindole","Acta Crystallographica Section C","1993","49","12","2143","2145","10.1107/S0108270193005190","","","0.70926","MoKα","","","0.038","","","0.039","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001252","27.961","0.001","8.154","0.004","9.34","0.002","90","","90","","90","","2129.5","1.1","294","1","","","","","","","","","","4","P c a 21","P 2c -2ac","","trans-β-ionyl-1-naphthylurethane","4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-yl naphthalenecarbamoate","","- C24 H28 N O2 -","- C24 H28 N O2 -","- C96 H112 N4 O8 -","4","1","HA1043","Beddoes, R. L.; Gorman, A. A.; Unett, D. J.","Structure of the naphthylurethane of <i>trans</i>-β-ionol, a severely nonplanar 1,3-diene","Acta Crystallographica Section C","1993","49","11","2007","2009","10.1107/S0108270193004627","","","0.71069","MoKα","","","0.083","","","0.081","","","","","2.05","2.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001491","12.369","0.009","7.958","0.008","13.818","0.009","90","","90","","90","","1360.1","1.9","","","","","","","","","","","","6","P c a 21","P 2c -2ac","","","","","- C5 H18 Co N5 O4 S3 -","- C5 H18 Co N5 O4 S3 -","- C20 H72 Co4 N20 O16 S12 -","4","1","CD1005","Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A.","Structures of <i>cis</i>- and <i>trans</i>-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III)","Acta Crystallographica Section C","1993","49","7","1265","1267","10.1107/S0108270193001970","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2001691","15.427","0.002","8.323","0.003","11.772","0.005","90","","90","","90","","1511.5","0.9","","","","","","","","","","","","5","P c a 21","P 2c -2ac","","","","","- C16 H15 N S U -","- C16 H15 N S U -","- C64 H60 N4 S4 U4 -","4","1","MU1000","Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.","Structure of tris(η^5^-cyclopentadienyl)uranium thiocyanate","Acta Crystallographica Section C","1993","49","5","929","931","10.1107/S0108270192011211","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001727","11.562","0.002","9.9784","0.0009","9.6781","0.0009","90","","90","","90","","1116.6","0.2","296","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C13 H18 O3 -","- C13 H17 O3 -","- C52 H68 O12 -","4","1","CR1036","Mague, J. T.; Ensley, H. E.; Chen, G.","Structure of the epoxide of a tricyclic lactone","Acta Crystallographica Section C","1993","49","5","996","998","10.1107/S0108270192011971","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001755","8.654","0.0003","8.6481","0.0003","12.2336","0.0005","90","","90","","90","","915.57","0.06","","","","","","","","","","","","4","P c a 21","P 2c -2ac","","","","","- B7 Fe3 I O13 -","- B7 Fe3 I O13 -","- B28 Fe12 I4 O52 -","4","1","SH0017","Kubel, F.; Janner, A.-M.","Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of iron iodine boracite, Fe~3~B~7~O~13~I","Acta Crystallographica Section C","1993","49","4","657","659","10.1107/S0108270192010643","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001909","35.499","0.009","10.289","0.002","8.275","0.003","90","","90","","90","","3022.4","1.5","293","5","","","","","","","","","","2","P c a 21","P 2c -2ac","","","","","- C40 H36 -","- C40 H36 -","- C160 H144 -","4","1","HU1006","Schumann, H.; Görlitz, F. H.; Esser, L.","Structure of pentabenzylcyclopentadiene","Acta Crystallographica Section C","1993","49","3","598","600","10.1107/S0108270192009818","","","0.71073","MoKα","","","0.058","","","0.052","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001974","10.754","0.004","11.084","0.003","8.564","0.002","90","","90","","90","","1020.8","0.5","","","","","","","","","","","","6","P c a 21","P 2c -2ac","","","","","- C5 H16 Cl Co N4 O3 -","- C5 H16 Cl Co N4 O3 -","- C20 H64 Cl4 Co4 N16 O12 -","4","1","HU0389","García-Granda, S.; Calvo-Pérez, V.; Gómez-Beltrán, F.","Structure redetermination of carbonatobis(ethlenediamine)cobalt(III) chloride","Acta Crystallographica Section C","1993","49","2","322","324","10.1107/S0108270192006085","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002007","6.61","0.005","11.272","0.003","10.738","0.003","90","","90","","90","","800.1","0.7","83","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","LI1018","Zukerman-Schpector, J.; Boscaini, R. C.; Ferreira, J. T. B.; Marques, F. A.","Structure of 6-methyl-2-oxabicyclo[4.3.0]non-4-ene-3,8-dione","Acta Crystallographica Section C","1993","49","2","385","387","10.1107/S0108270192008497","","","0.70926","Mo","","","0.035","","","0.036","","","","","1.08","1.08","","","","","has coordinates","203418","2020-10-21","18:00:00",""
"2002019","8.028","0.004","5.456","0.003","24.035","0.009","90","","90","","90","","1052.8","0.9","223","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C14 H12 O -","- C14 H12 O -","- C56 H48 O4 -","4","1","BR1010","Rieker, T. P.; Haltiwanger, C.; Eidman, K.; Walba, D. W.; Clark, N. A.; Larson, A. C.","Structure of 2-phenylacetophenone","Acta Crystallographica Section C","1993","49","2","406","408","10.1107/S0108270192009442","","","0.7107","MoKα","","","0.033","","","0.037","","","","","2.79","2.79","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002109","17.884","0.003","8.792","0.003","13.918","0.003","90","","90","","90","","2188.4","1","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-chloro-2-ethoxycarbonylmethoxy-1,3-xylyl-18-crown-5","","- C20 H29 Cl O8 -","- C20 H29 Cl O8 -","- C80 H116 Cl4 O32 -","4","1","BR1013","Ferguson, G.; Kaitner, B.; McKervey, M. A.; Owens, M.","5-Chloro-2-hydroxycarbonylmethoxy-1,3-xylyl-18-crown-5 and 5-chloro-2-ethoxycarbonylmethoxy-1,3-xylyl-18-crown-5","Acta Crystallographica Section C","1993","49","1","179","182","10.1107/S0108270192009971","","","0.7093","MolybdenumKα","","0.189","0.033","","0.084","0.04","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003210","15.518","0.002","16.427","0.002","8.46","0.001","90","","90","","90","","2157","2","293","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C96 H108 N12 O12 -","4","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","246","249","10.1107/S0108270194005846","","","1.5418","CuKα","","","0.027","","","0.036","","","","","1.88","1.88","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003491","25.601","0.003","8.3508","0.0014","6.8213","0.001","90","","90","","90","","1458.3","0.4","122","2","122","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(R,S)-1-phenylethylammonium (R,S)-mandelate","(R,S)-1-Phenylethylammonium (R,S)-2-hydroxy-2-phenylethanoate","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","NA1135","Lopez de Diego, H.","(<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>R</i>,<i>S</i>)-Mandelate","Acta Crystallographica Section C","1995","51","5","935","937","10.1107/S010827019401303X","","","1.5418","CuKα","","0.0304","0.0288","","0.0764","0.0749","","","","1.053","1.058","1.058","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003591","7.24","0.001","14.373","0.003","7.444","0.002","90","","90","","90","","774.6","0.3","293","","","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C6 H5 B F3 K -","- C6 H5 B Ce F3 K -","- C24 H20 B4 Ce4 F12 K4 -","4","1","NA1133","Conole, G.; Clough, A.; Whiting, A.","Potassium Trifluorophenylborate","Acta Crystallographica Section C","1995","51","6","1056","1059","10.1107/S0108270194014198","","","0.71073","MoKα","","","0.0481","","","0.0501","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003744","12.759","0.001","10.027","0.001","14","0.001","90","","90","","90","","1791.1","0.3","293","1","293","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Imino-1,4,4-triphenylimidazolidin-2-one","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C84 H68 N12 O4 -","4","1","AB1252","Kopf, J.; Heuer, J. R. P.; Schweim, H. G.","5-Imino-1,4,4-triphenylimidazolidin-2-one: an Imidazolidine with an Exocyclic Imino Group","Acta Crystallographica Section C","1995","51","8","1583","1585","10.1107/S0108270195002630","","","1.54178","CuKα","","0.033","0.0328","","0.0924","0.0919","","","","1.033","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003904","24.699","0.002","7.343","0.001","12.748","0.002","90","","90","","90","","2312","0.5","100","2","100","2","","","","","","","ethanol","4","P c a 21","P 2c -2ac","29","","Trimethylphenyphosphoniumiodide","","- C9 H14 I P -","- C9 H14 I P -","- C72 H112 I8 P8 -","8","2","JZ1022","Schödel, H.; Näther, C.; Bock, H.","Two Trimethylphenylphosphonium Iodides","Acta Crystallographica Section C","1995","51","9","1841","1844","10.1107/S0108270194015052","","","0.71073","MoKα","","0.0343","0.0201","","0.0507","0.0481","","","","1.039","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004080","12.38","0.002","11.194","0.002","26.892","0.005","90","","90","","90","","3726.7","1.1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","1,2;3,4-Bis(8',11'-dioxa[4.3.3]propella(3',4'))benzene","1H,3H,4H,7H,8H,10H,11H,12H-3a,12a:7a,10a-Bis(methanoxymethano)phenanthro [2,3-c:6,7-c']difuran","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","2","AB1266","Stadnicka, K.; Zeslawski, W.","1,2;3,4-Bis{8',11'-dioxa[4.3.3]propella(3',4')}benzene: a Bis(propellene) from Prehnitene","Acta Crystallographica Section C","1995","51","11","2377","2381","10.1107/S0108270195007402","","","0.7093","MoKα~1~","","0.0593","0.0317","","0.0809","0.0709","","","","1.066","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004230","8.884","0.003","26.179","0.002","7.286","0.002","90","","90","","90","","1694.5","0.7","295","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","CR1190","Stomberg, R.; Li, S.; Lundquist, K.","(<i>Z</i>)-2,3-Bis(3,4-dimethoxyphenyl)propenoic Acid","Acta Crystallographica Section C","1995","51","12","2698","2700","10.1107/S0108270195009140","","","0.71073","MoKα","","","0.034","","","0.041","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004451","11.207","0.002","12.195","0.001","7.3631","0.0009","90","0.01","90","0.01","90","0.01","1006.3","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","p-nitrophenyl dimethylcarbamate","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","TA1035","Waters, J. M.; Kitson, T. M.","3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate","Acta Crystallographica Section C","1996","52","1","101","104","10.1107/S0108270195010894","","","0.71073","MoKα","","0.0865","0.0465","","0.165","0.1433","","","","1.106","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004487","22.076","0.003","8.722","0.001","6.552","0.001","90","","90","","90","","1261.6","0.3","293","2","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","C12 H7 Br Cl2 N2 O1","N-(4-bromophenyl)-5,6-dichloronicotinamide","","- C12 H7 Br Cl2 N2 O -","- C12 H7 Br Cl2 N2 O -","- C48 H28 Br4 Cl8 N8 O4 -","4","1","CR1196","Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M.","<i>N</i>-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-<i>N</i>-(3-pyridyl)nicotinamide","Acta Crystallographica Section C","1996","52","2","438","441","10.1107/S0108270195012078","","","0.71073","MoKα","","0.157","0.049","","0.176","0.112","","","","0.731","0.951","0.951","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004603","17.682","0.004","10.292","0.003","11.855","0.003","90","","90","","90","","2157.4","1","293","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H28 N4 Ni O7 S4 -","- C12 H28 N4 Ni O7 S4 -","- C48 H112 N16 Ni4 O28 S16 -","4","1","FG1049","Li, W.-Z.; Wang, J.-L.; Miao, X.-S.; Zhou, Y.; Miao, F.-M.","1,4,10,13-Tetrathia-7,16-diazacyclooctadecanenickel(II) Nitrate Hydrate","Acta Crystallographica Section C","1996","52","3","555","557","10.1107/S0108270195009619","","","0.71073","MoKα","","","0.034","","","0.037","","","","","1.876","1.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004686","14.0232","0.0008","6.8842","0.0005","8.9541","0.0005","90","","90","","90","","864.42","0.09","193","","193","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H9 N7 O6 -","- C2 H9 N7 O6 -","- C8 H36 N28 O24 -","4","1","BK1041","Martin, A.; Pinkerton, A. A.; Schiemann, A.","Energetic Materials: the Biguanidium Nitrates","Acta Crystallographica Section C","1996","52","4","966","970","10.1107/S0108270195012200","","","0.71073","MoKα","","0.033","0.027","","","0.037","","","","","0.854","0.854","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004715","14.8793","0.0007","8.9205","0.0006","7.2837","0.0004","90","","90","","90","","966.77","0.1","294","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H11 Cl N2 O S -","- C6 H11 Cl N2 O S -","- C24 H44 Cl4 N8 O4 S4 -","4","1","DE1010","Seth, S.; Das, A. K.; Mak, T. C. W.","An Unusual C(<i>sp</i>^2^)—H···Cl Interaction in the Solid State: Reinvestigation of 4,6-Dimethylpyrimidine-2-thione Hydrochloride Monohydrate","Acta Crystallographica Section C","1996","52","4","910","913","10.1107/S0108270195012388","","","0.71073","MoKα","","","0.034","","","0.037","","","","","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004906","27.858","0.005","8.094","0.002","9.951","0.002","90","","90","","90","","2243.8","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Morpholinyl-3-phenylthiourea.","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C88 H112 N16 O8 S8 -","8","2","MU1225","Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide","Acta Crystallographica Section C","1996","52","5","1285","1288","10.1107/S0108270195015010","","","0.71073","MoKα","","0.063","0.047","","0.1401","0.1309","","","","1.065","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004915","22.028","0.002","11.698","0.001","7.0116","0.0003","90","","90","","90","","1806.8","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Benzene-9-hydroxy-4-methyl-2H,4H-pyrrolo-[2,3-b]carbazole-1,3-dione","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","NA1206","Schollmeyer, D.; Fischer, G.; Pindur, U.","Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate","Acta Crystallographica Section C","1996","52","5","1277","1280","10.1107/S010827019501609X","","","1.5418","CuKα","","0.098","0.0628","","0.1852","0.1619","","","","1.009","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004951","15.875","0.009","13.09","0.01","13.771","0.008","90","","90","","90","","2862","3","153","","153","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H11 N O3 S -","- C17 H11 N O3 S -","- C136 H88 N8 O24 S8 -","8","2","BM1049","Alves, J. A. C.; Brigas, A. F.; Johnstone, R. A. W.","3-(1-Naphthyloxy)-1,2-benzisothiazole 1,1-Dioxide: Electronic Effects of Conjugation","Acta Crystallographica Section C","1996","52","6","1576","1579","10.1107/S0108270196000935","","","0.7107","MoKα","","","0.0449","","","0.0491","","","","","1.586","1.586","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005354","20.154","0.005","3.843","0.001","11.787","0.003","90","","90","","90","","912.9","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2-Carboxy-4,5-benzotropone","2-Carboxy-4,5-benzocycloheptatrienone","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","FG1171","Thompson, H. W.; Lalancette, R. A.; Coté, M. L.","2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid","Acta Crystallographica Section C","1996","52","9","2372","2376","10.1107/S0108270196004933","","","0.71073","MoKα","","0.0647","0.0531","","0.1229","0.1185","","","","0.985","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005379","14.868","0.005","11.953","0.002","20.403","0.006","90","","90","","90","","3626","1.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Triphenylpropargylphosphonium bromide","","- C21 H18 Br P -","- C21 H18 Br P -","- C168 H144 Br8 P8 -","8","2","KA1184","Steiner, Th.","Triphenylpropargylphosphonium Bromide","Acta Crystallographica Section C","1996","52","9","2263","2266","10.1107/S0108270196004490","","","1.54176","CuKα","","0.0405","0.0295","","0.0827","0.068","","","","1.045","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005587","7.134","0.001","12.152","0.002","13.304","0.001","90","","90","","90","","1153.4","0.3","293","2","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H6 O3 -","- C6 H6 O3 -","- C48 H48 O24 -","8","2","","Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.","Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol)","Acta Crystallographica Section C","1996","52","11","2917","2920","10.1107/S0108270196007081","","","","","","","","","","","","","","","","","","","","","has coordinates","175355","2020-10-21","18:00:00",""
"2005736","11.911","0.009","15.794","0.008","7.468","0.014","90","","90","","90","","1405","3","153","","153","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 N4 S -","- C17 H12 N4 S -","- C68 H48 N16 S4 -","4","1","BM1096","Alves, J. A. C.; Dillon, C. J.; Johnstone, R. A. W.","5-(2-Naphthyl)thio-1-phenyltetrazole: Chemical Reactivity and Electronic Effects of Conjugation through Sulfur","Acta Crystallographica Section C","1996","52","12","3163","3165","10.1107/S0108270196010839","","","0.71073","MoKα","","","0.0594","","","0.0632","","","","","1.746","1.746","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005798","6.246","0.003","7.187","0.004","31.334","0.002","90","","90","","90","","1406.6","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","MU1276","Kevran, S.; Elmali, A.; Elerman, Y.","5-Chloro-2-[(2-hydroxybenzylidene)aminomethyl]phenol","Acta Crystallographica Section C","1996","52","12","3256","3258","10.1107/S0108270196010268","","","0.71069","MoKα","","0.0418","0.0402","","0.0969","0.0958","","","","1.111","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005885","5.806","0.002","17.43","0.006","14.607","0.005","90","","90","","90","","1478.2","0.9","295","1","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","sodium phosphonoacetate dihydrate","","- C2 H8 Na O7 P -","- C2 H8 Na O7 P -","- C16 H64 Na8 O56 P8 -","8","2","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","1.5418","CuKα","","0.0408","0.0378","","0.1048","0.1026","","","","1.082","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006586","12.4368","0.0008","9.062","0.0001","10.3153","0.0009","90","","90","","90","","1162.56","0.13","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","titanium exo-isodicyclopentadienide trichloride","(η^5^-exo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium","","- C10 H11 Cl3 Ti -","- C10 H11 Cl3 Ti -","- C40 H44 Cl12 Ti4 -","4","1","FR1048","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard","<i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium","Acta Crystallographica Section C","1997","53","10","1416","1420","10.1107/S0108270197006781","","","0.7107","MoKα","","","0.026","","","","0.023","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006915","38.032","0.003","7.373","0.004","7.725","0.004","90","","90","","90","","2166.2","1.6","294","","294","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Br N O S -","- C24 H22 Br N O S -","- C96 H88 Br4 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","0.7107","MoKα","","","0.0331","","","","0.0824","","","","","","1.18","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006985","9.3482","0.0002","7.0493","0.0003","18.0924","0.0007","90","","90","","90","","1192.26","0.07","161","2","161","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Morimoto, Bruce H.; Lovell, Scott; Kahr, Bart","Ecstasy: 3,4-Methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section C","1998","54","2","229","231","10.1107/S0108270197012390","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007012","14.8333","0.0008","7.601","0.0009","14.109","0.002","90","","90","","90","","1590.8","0.3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Cyclopentadienyltricarbonyltrimethylphosphinemolybdenum(II) tetrafluoroborate","","- C11 H14 B F4 Mo O3 P -","- C11 H14 B F4 Mo O3 P -","- C44 H56 B4 F16 Mo4 O12 P4 -","4","1","FR1063","Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo","Tricarbonyl(η^5^-cyclopentadienyl)(trimethylphosphine-<i>P</i>)molybdenum(II) Tetrafluoroborate","Acta Crystallographica Section C","1998","54","2","181","183","10.1107/S0108270197012651","","","0.71073","MoKα","","0.0805","0.033","","0.0813","0.0686","","","","1.048","1.118","1.118","","","","","has coordinates,has disorder","192303","2020-10-21","18:00:00",""
"2007162","12.802","0.003","11.181","0.003","20.281","0.002","90","","90","","90","","2903","1.1","294","","294","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H21 F O -","- C18 H21 F O -","- C144 H168 F8 O8 -","8","2","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","1.5418","CuKα","","","0.042","","","","0.125","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007332","14.14","0.002","9.167","0.001","7.263","0.001","90","","90","","90","","941.4","0.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","(+\-)-3-indanone-1-acetic acid","(+\-)-2,3-dihydro-3-oxo-1H-indeneacetic Acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FG1417","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(±)-3-Indanone-1-acetic Acid: Heterochiral Catemeric Hydrogen Bonding in a δ-Keto Acid","Acta Crystallographica Section C","1998","54","6","829","831","10.1107/S0108270197019823","","","0.71073","MoKα","","0.07","0.05","","0.129","0.117","","","","1.05","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007342","13.4806","0.0013","7.6909","0.0006","18.1758","0.0015","90","","90","","90","","1884.4","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Tetra-Rubidium-Di-Tantalum-Undeca-Sulfide","","","- Rb4 S11 Ta2 -","- Rb4 S11 Ta2 -","- Rb16 S44 Ta8 -","4","1","JZ1249","Dürichen, Peter; Bensch, Wolfgang","New Compounds Containing the Complex Anion [Ta~2~S~11~]^4{-^}; <i>A</i>~4~Ta~2~S~11~ (<i>A</i> = Rb, Cs)","Acta Crystallographica Section C","1998","54","6","706","708","10.1107/S0108270197018404","","","0.71073","MoKα","","0.057","0.035","","0.092","0.085","","","","1.027","1.064","1.064","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007343","13.913","0.004","7.989","0.002","18.327","0.005","90","","90","","90","","2037.1","1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Tetra-Caesium-Di-Tantalum-Undeca-Sulfide","","","- Cs4 S11 Ta2 -","- Cs4 S11 Ta2 -","- Cs16 S44 Ta8 -","4","1","JZ1249","Dürichen, Peter; Bensch, Wolfgang","New Compounds Containing the Complex Anion [Ta~2~S~11~]^4{-^}; <i>A</i>~4~Ta~2~S~11~ (<i>A</i> = Rb, Cs)","Acta Crystallographica Section C","1998","54","6","706","708","10.1107/S0108270197018404","","","0.71073","MoKα","","0.043","0.038","","0.104","0.101","","","","1.07","1.09","1.09","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007352","24.52","0.02","6.369","0.006","22.4","0.02","90","","90","","90","","3498","5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","3-methyl-r-2,t-3,c-5-triphenylpyrrolidine","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","2","LN1033","Lucjan B. Jerzykiewicz; Tadeusz Lis; Janusz Baran; Danuta Dziewońska-Baran","Racemic 3-Methyl-<i>r</i>-2,<i>c</i>-3,<i>c</i>-5-triphenylpyrrolidine and 3-Methyl-<i>r</i>-2,<i>t</i>-3,<i>c</i>-5-triphenylpyrrolidine","Acta Crystallographica Section C","1998","54","6","867","870","10.1107/S0108270197018155","","","0.71073","MoKα","","0.108","0.058","","0.154","0.1355","","","","1.012","1.124","1.124","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007522","8.544","0.002","13.164","0.0013","16.8094","0.0019","90","","90","","90","","1890.6","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene","","- C16 H25 Br Hg O5 -","- C16 H25 Br Hg O5 -","- C64 H100 Br4 Hg4 O20 -","4","1","FG1440","Lutz, Martin; Spek, Anthony L.; Markies, Peter R.; Akkerman, Otto S.; Bickelhaupt, Friedrich","1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene","Acta Crystallographica Section C","1998","54","8","1091","1093","10.1107/S0108270198002418","","","0.71073","MoKα","","0.033","0.025","","","","0.051","","","","","","0.996","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007707","8.542","0.003","9.406","0.003","30.213","0.008","90","","90","","90","","2427.5","1.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","[{6,13-diacetyl-5,12-dimethyl-1,4,8,11-tetraazacyclotetradeca- 4,6,11,13-tetraenato(2-)}nickel(II)] deuterochloroform solvate (1:2)","","- C18 H22 Cl6 D2 N4 Ni O2 -","- C18 H24 Cl6 N4 Ni O2 -","- C72 H96 Cl24 N16 Ni4 O8 -","4","1","BM1271","König, Burkhard; Pelka, Mario; Dix, Ina; Jones, Peter G.","3,3'-[Ethane-1,2-diylbis(aminomethylene)]bis(pentane-2,4-dione) and the Nickel(II) Complex of a Condensation Product","Acta Crystallographica Section C","1998","54","10","1468","1471","10.1107/S0108270198009263","","","0.71073","MoKα","","0.036","0.031","","","","0.069","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008157","13.322","0.001","5.167","0.001","20.938","0.001","90","","90","","90","","1441.3","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","3a,4,7,7a-Tetrahydro-isobenzofuran-1,3-dione","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","HA1235","Bolte, Michael; Bauch, Christian","<i>cis</i>-1,2,3,6-Tetrahydrophthalic anhydride at 173K","Acta Crystallographica Section C","1999","55","2","226","228","10.1107/S0108270198012402","","","0.71073","MoKα","","0.0397","0.0323","","","","0.0853","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008364","14.361","0.002","13.711","0.002","7.475","0.002","90","","90","","90","","1471.9","0.5","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H17 N O6 P2 -","- C11 H17 N O6 P2 -","- C44 H68 N4 O24 P8 -","4","1","GS1026","Saint-Clair, Jean-François; Siméon, Fabrice; Villemin, Didier; Averbuch-Pouchot, Marie-Thérèse","2-Hydroxy-5-methyl-2-oxo-6-phenyl-4-phosphonomethyl-1,4,2-oxazoniaphosphorinane","Acta Crystallographica Section C","1999","55","4","588","590","10.1107/S0108270198016643","","","0.7107","MoKα","","0.0264","0.0264","","0.0331","0.0331","","","","1.836","1.836","1.836","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008609","24.482","0.0012","7.5509","0.0004","7.506","0.0004","90","","90","","90","","1387.57","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","7-methyl-3-(4-methylphenyl)-1,2,4-triazolo-[3,4-b][1,3]benzothiazole","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","OS1049","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II)","Acta Crystallographica Section C","1999","55","6","948","951","10.1107/S0108270199000864","","","0.71073","MoKα","","0.064","0.048","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008665","25.091","0.0006","6.7447","0.0002","13.3049","0.0002","90","","90","","90","","2251.61","0.09","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","diisopropyl(2-mercaptoethyl)ammonium chloride","","- C8 H20 Cl N S -","- C8 H20 Cl N S -","- C64 H160 Cl8 N8 S8 -","8","2","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.039","0.032","","","","0.079","","","","","","1.09","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008736","18.0675","0.0009","7.7986","0.0004","9.2847","0.0004","90","","90","","90","","1308.23","0.11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1H-fluoren-9-one","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","SK1281","Dipakranjan Mal; Nirmal Kumar Hazra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1<i>H</i>-fluoren-9-one","Acta Crystallographica Section C","1999","55","7","1129","1130","10.1107/S0108270199003352","","","0.71073","MoKα","","0.044","0.037","","","","0.098","","","","","","1.05","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008758","18.2534","0.0009","6.3271","0.0003","14.7428","0.0007","90","","90","","90","","1702.66","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- O20 P5 Ti3 Tl3 -","- O20 P5 Ti3 Tl3 -","- O80 P20 Ti12 Tl12 -","4","1","BR1228","Harrison, William T. A.","Thallium titanium phosphate, Tl~3~Ti~3~O(PO~4~)~3~(P~2~O~7~)","Acta Crystallographica Section C","1999","55","8","1200","1203","10.1107/S0108270199006721","","","0.71073","MoKα","","0.036","0.033","","","","0.087","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008810","10.78","0.003","11.004","0.003","12.108","0.002","90","","90","","90","","1436.3","0.6","298.2","","298.2","","","","","","","","","6","P c a 21","P 2c -2ac","29","Tetrakis(methylamine)oxalatocobalt(III)","","","- C6 H20 Cl Co N4 O8 -","- C6 H20 Cl Co N4 O8 -","- C24 H80 Cl4 Co4 N16 O32 -","4","1","OA1068","Kitamura, Yoichi; Azuma, Nagao; Matsuda, Taro; Tanabe, Yoichi","Tetrakis(methylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate and tetrakis(ethylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1267","1270","10.1107/S0108270199005594","","","0.7107","MoKα","","","0.064","","","","0.048","","","","","","1.287","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008917","21.031","0.003","8.201","0.0008","9.215","0.001","90","","90","","90","","1589.4","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Trichloro[(Z)-2-chloro-1,2-diphenylvinyl]tellurium(IV)","","- C14 H10 Cl4 Te -","- C14 H10 Cl4 Te -","- C56 H40 Cl16 Te4 -","4","1","GS1044","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Santos, Rute A.; Caracelli, I.","Trichloro[(<i>Z</i>)-2-chloro-1,2-diphenylvinyl]tellurium(IV)","Acta Crystallographica Section C","1999","55","9","1577","1579","10.1107/S0108270199006964","","","0.71073","MoKα","","0.066","0.03","","","","0.069","","","","","","1.09","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008923","10.3098","0.0013","8.4972","0.0008","11.4264","0.0013","90","","90","","90","","1001","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-chloro-1-(4,5-dinitroimidazolyl)propan-2-ol","","- C6 H7 Cl N4 O5 -","- C6 H7 Cl N4 O5 -","- C24 H28 Cl4 N16 O20 -","4","1","JZ1330","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 42. Über Nitropiperidinoimidazolderivate","Acta Crystallographica Section C","1999","55","9","1562","1565","10.1107/S0108270199005880","","","1.54178","CuKα","","0.038","0.037","","","","0.108","","","1.089","","","1.094","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009809","31.501","0.004","9.528","0.001","17.906","0.002","90","","90","","90","","5374.3","1.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C240 H272 N16 O32 -","16","4","PA1082","Tinant, Bernard; Declercq, Jean-Paul; Poupaert, Jacques H.; Yous, Said; Lesieur, Daniel","<i>N</i>-[2-(7-Methoxy-1-naphthyl)ethyl]acetamide, a potent melatonin analog","Acta Crystallographica Section C","1994","50","6","907","910","10.1107/S0108270193012922","","","1.5418","CuKα","","0.1087","0.0571","","0.1446","0.1251","","","","0.89","1.165","1.165","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2010096","18.281","0.002","6.2932","0.0007","14.773","0.002","90","","90","","90","","1699.6","0.4","295","2","","","","","","","","","","4","P c a 21","P 2c -2ac","","","","","- O20 P5 Rb3 Ti3 -","- O20 P5 Rb3 Ti3 -","- O80 P20 Rb12 Ti12 -","4","1","DU1071","Duhlev, R.","Rb~3~Ti~2~(TiO)(PO~4~)~3~P~2~O~7~: A new non-centrosymmetric titanyl phosphate","Acta Crystallographica Section C","1994","50","10","1523","1525","10.1107/S010827019400079X","","","0.71073","MoKα","","","0.0331","","","0.0344","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010152","19.863","0.002","8.644","0.002","9.417","0.002","90","","90","","90","","1616.9","0.5","296","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","BR1059","Ala, P.; Yang, D.S.C.","5-Ethoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole","Acta Crystallographica Section C","1994","50","11","1832","1834","10.1107/S0108270194000016","","","1.54178","CuKα","","","0.04","","","0.047","","","","","1.43","1.43","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010167","8.0934","0.001","19.998","0.003","11.926","0.002","90","","90","","90","","1930.2","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","CAROXAZONE","2-oxo-2H-1, 3-benzoxazine 3(4H)-acetamide","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","2","DU1075","Wouters, Johan; Evrard, Guy; Durant, Francois","The molecular structure of caroxazone, a reversible monoamine oxidase inhibitor","Acta Crystallographica Section C","1994","50","11","1774","1777","10.1107/S0108270194001393","","","1.54178","CuKα","","0.0398","0.0357","","0.0944","0.0852","","","","0.909","0.903","0.903","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010215","11.405","0.001","8.354","0.001","17.142","0.001","90","","90","","90","","1633.2","0.3","293","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","NA1070","Bolte, M.; Beck, H.; Nieger, M.; Egert, E.","Structural investigation of some lactides","Acta Crystallographica Section C","1994","50","11","1717","1721","10.1107/S0108270194001629","","","0.7107","MoKα","","","0.034","","","0.041","","","","","1.14","1.14","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010248","8.938","0.001","10.207","0.002","7.788","0.001","90","","90","","90","","710.5","0.18","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","DL-valine NCA","N-carboxy-DL-valine anhydride","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C24 H36 N4 O12 -","4","1","AS1125","Takenaka, Yasuyuki; Ohashi, Yuji; Kanazawa, Hitoshi","<small>DL</small>-Valine NCA","Acta Crystallographica Section C","1994","50","12","1950","1952","10.1107/S0108270194007067","","","1.5418","CuKα","","","0.069","","","0.113","","","","","1.084","1.084","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010334","10.041","0.002","17.962","0.002","7.259","0.003","90","","90","","90","","1309.2","0.6","295","2","295","2","","","","","","","","3","P c a 21","","","","","","- C12 H22 S2 -","- C12 H22 S2 -","- C48 H88 S8 -","4","1","PA1102","Gabriele Bocelli; Andrea Cantoni; Pietro Cozzini","Stereochemistry of rings. XVIII. 8-<i>tert</i>-Butyl-1,4-dithiaspiro[4.5]decane","Acta Crystallographica Section C","1994","50","12","2098","2100","10.1107/S0108270194005950","","","1.5418","CuKα","","","0.066","","","0.068","","","","","0.731","0.731","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010480","15.518","0.002","16.427","0.002","8.46","0.001","90","","90","","90","","2157","2","293","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C96 H108 N12 O12 -","4","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica Section C","1995","51","","246","249","","","","","","","","0.027","","","0.036","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010536","25.7526","0.0017","4.2348","0.0003","11.2966","0.0007","90","","90","","90","","1231.97","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","11-Methylpyrido[2,3-b]acridine-5,12-dione","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","1","JA1007","Copp, Brent R.; Lindsay, Brent S.; Oliver, Allen G.; Rickard, Clifton E. F.","11-Methylpyrido[2,3-<i>b</i>]acridine-5,12-dione","Acta Crystallographica Section C","2000","56","1","102","103","10.1107/S0108270199013578","","","0.71073","MoKα","","0.061","0.054","","","","0.141","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010545","7.5296","0.0011","13.7209","0.0019","11.7587","0.0016","90","","90","","90","","1214.8","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis[chloro(1,3-imidazolium-2-thiolato-S)]mercury(II)","","- C6 H8 Cl2 Hg N4 S2 -","- C6 H8 Cl2 Hg N4 S2 -","- C24 H32 Cl8 Hg4 N16 S8 -","4","1","NA1432","Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka","A 1:2 complex of mercury(II) chloride with 1,3-imidazole-2-thione","Acta Crystallographica Section C","2000","56","1","61","63","10.1107/S0108270199013736","","","0.71073","MoKα","","0.079","0.03","","","","0.064","","","","","","0.897","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010789","16.427","0.002","15.195","0.002","7.194","0.001","90","","90","","90","","1795.7","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","DPPE","[2-(4-benzylphenoxy)ethyl]diethylammonium chloride","","- C19 H26 Cl N O -","- C19 H26 Cl N O -","- C76 H104 Cl4 N4 O4 -","4","1","BK1510","Hempel, Andrew; Camerman, Norman; Dauter, Zbigniew; Mastropaolo, Donald; Camerman, Arthur","The antiestrogen [2-(4-benzylphenoxy)ethyl]diethylammonium chloride","Acta Crystallographica Section C","2000","56","4","455","456","10.1107/S0108270199016741","","","0.92","synchrotronradiation","","0.041","0.036","","","","0.105","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011004","16.2046","0.0016","7.2974","0.0005","13.509","0.0014","90","","90","","90","","1597.5","0.3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C7 H8 Hg Mn N4 O2 S4 -","- C7 H8 Hg Mn N4 O2 S4 -","- C28 H32 Hg4 Mn4 N16 O8 S16 -","4","1","GD1089","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Lu, Meng-Kai; Yuan, Duo-Rong; Lu, Guang-Tian","Manganese mercury thiocyanate (MMTC) glycol monomethyl ether","Acta Crystallographica Section C","2000","56","6","647","648","10.1107/S0108270100003188","","","0.71073","MoKα","","0.0518","0.0395","","","","0.1005","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011134","11.543","0.002","13.996","0.005","9.918","0.0007","90","","90","","90","","1602.3","0.6","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis[iodo(1-methyl-1,3-imidazolium-2-thiolato-S)]mercury(II)","","- C8 H12 Hg I2 N4 S2 -","- C8 H12 Hg I2 N4 S2 -","- C32 H48 Hg4 I8 N16 S8 -","4","1","JZ1398","Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka","Diiodobis(1-methyl-1,3-imidazolium-2-thiolato-<i>S</i>)mercury(II)","Acta Crystallographica Section C","2000","56","7","801","803","10.1107/S0108270100005825","","","0.71073","MoKα","","0.064","0.043","","","","0.116","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011149","19.7025","0.0009","7.766","0.002","16.7929","0.0006","90","","90","","90","","2569.5","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","triethylammonium cis-tetrachlorodi(4-ethylpyridine)molybdenum(III)","","- C20 H34 Cl4 Mo N3 -","- C20 H34 Cl4 Mo N3 -","- C80 H136 Cl16 Mo4 N12 -","4","1","NA1469","Modec, Barbara; Brenčič, Jurij V.; Golič, Ljubo","A 4-ethylpyridine complex of tetrachloromolybdenum(III) and its oxidation product","Acta Crystallographica Section C","2000","56","7","780","782","10.1107/S0108270100004911","","","0.71073","MoKα","","0.047","0.029","","","","0.059","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011232","26.23","0.005","5.881","0.0012","11.448","0.002","90","","90","","90","","1766","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","VENLAFAXINE HYDROCHLORIDE","1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride (Venlafaxine Hydrochloride)","","- C17 H28 Cl N O2 -","- C17 H28 Cl N O2 -","- C68 H112 Cl4 N4 O8 -","4","1","","Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo","1-[2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylammonium chloride (venlafaxine hydrochloride)","Acta Crystallographica Section C Crystal Structure Communications","2000","56","8","1009","1010","10.1107/S0108270100007009","","","0.71073","MoKα","","0.0917","0.0434","","","","0.1491","","","","","","1.046","","","","has coordinates","246016","2020-10-21","18:00:00",""
"2011363","7.0127","0.0011","12.524","0.002","14.477","0.003","90","","90","","90","","1271.5","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 O4 S -","- C14 H8 N2 O4 S -","- C56 H32 N8 O16 S4 -","4","1","QD0005","Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.","2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one","Acta Crystallographica Section C","2000","56","9","e408","e409","10.1107/S010827010001057X","","","0.71073","MoKα","","0.119","0.051","","0.142","","0.1","","","0.963","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011371","9.987","0.002","8.451","0.002","14.233","0.003","90","","90","","90","","1201.3","0.5","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H8 Cu N6 O6 -","- C8 H8 Cu N6 O6 -","- C32 H32 Cu4 N24 O24 -","4","1","QD0011","Riggio, Ivonne; Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","<i>catena</i>-Poly[[bis(nitrato)(pyrimidine)copper(II)]-μ-pyrimidine-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2000","56","9","e380","e381","10.1107/S010827010001101X","","","0.71073","MoKα","","0.031","0.03","","","","0.077","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011920","30.992","0.007","8.613","0.004","6.721","0.007","90","","90","","90","","1794","2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Cyclohexylammonium (2-oxy-2'-hydroxy-biphenyl)phosphonate","","- C18 H24 N O4 P -","- C18 H24 N O4 P -","- C72 H96 N4 O16 P4 -","4","1","VJ1128","Kumara Swamy, K. C.; Said, Musa A.","Cyclohexylammonium 2'-hydroxy-2-biphenyl phosphonate","Acta Crystallographica Section C","2001","57","4","491","492","10.1107/S0108270101001184","","","0.71073","MoKα","","0.0843","0.0543","","","","0.1769","","","","","","1.137","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012005","8.3887","0.0006","6.0883","0.0005","16.8795","0.001","90","","90","","90","","862.09","0.11","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Aqua isophthalato zinc(II)","poly[[aquazinc(II)]-μ-benzene-1,3-dicarboxylato]","","- C8 H6 O5 Zn -","- C8 H6 O5 Zn -","- C32 H24 O20 Zn4 -","4","1","BK1593","Otto, Thomas J.; Wheeler, Kraig A.","Aqua(benzene-1,3-dicarboxylato)zinc(II)","Acta Crystallographica Section C","2001","57","6","704","705","10.1107/S0108270101004772","","","0.71073","MoKα","","0.037","0.034","","","","0.085","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012090","14.161","0.003","27.913","0.006","6.7018","0.0013","90","","90","","90","","2649.1","1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(N,N-Dimethylamino)-biphenyl-2',6'-dicarboxaldehyde","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","GG1051","O'Leary, Jane; Wallis, John D.; Wood, Michael L.","1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives","Acta Crystallographica Section C","2001","57","7","851","853","10.1107/S0108270101006369","","","0.71073","MoKα","","0.074","0.044","","","","0.1","","","","","","0.97","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012161","14.7077","0.0005","10.1602","0.0004","6.7878","0.0002","90","","90","","90","","1014.32","0.06","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Nitrodiphenylamine","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","SK1481","McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Low, John Nicolson; Glidewell, Christopher","Hydrogen-bonded chains in <i>N</i>-(2-nitrophenyl)phenylamine","Acta Crystallographica Section C","2001","57","8","946","948","10.1107/S0108270101008010","","","0.71073","MoKα","","0.0568","0.0456","","","","0.111","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012301","17.4947","0.0002","9.873","0.0001","11.1165","0.0001","90","","90","","90","","1920.1","0.03","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","trans-dibromobis(5-tert-butylpyrazole-N^2^)copper(II)","","- C14 H24 Br2 Cu N4 -","- C14 H23.9999 Br2 Cu N4 -","- C55.9998 H95.9996 Br8 Cu4 N16 -","4","1","BM1461","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Two complexes of CuBr~2~ with 5-<i>tert</i>-butylpyrazole","Acta Crystallographica Section C","2001","57","11","1253","1255","10.1107/S0108270101012653","","","0.71073","MoKα","","0.0245","0.0235","","","","0.0597","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012364","24","0.007","8.531","0.003","9.369","0.002","90","","90","","90","","1918.2","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Aquabis(3,5-dimethyl-1H-pyrazole-N^2^)(malonato-O,O')copper(II) dihydrate","","- C13 H24 Cu N4 O7 -","- C13 H24 Cu N4 O7 -","- C52 H96 Cu4 N16 O28 -","4","1","DA1196","Xiong, Ya; Tong, Mingliang; An, Taicheng; Karlsson, Hans T.","Aquabis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","Acta Crystallographica Section C","2001","57","12","1385","1387","10.1107/S0108270101015116","","","0.71073","MoKα","","0.111","0.059","","","0.134","0.157","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012406","20.781","0.002","10.7159","0.0012","17.8255","0.0019","90","","90","","90","","3969.5","0.7","170","2","170","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(4,4'-dimethyl-2,2'-bipyridyl)tris[3,3,3-trifluoro-1-(2-thenoyl)acetonato]- europium(III)","","- C36 H24 Eu F9 N2 O6 S3 -","- C36 H24 Eu F9 N2 O6 S3 -","- C144 H96 Eu4 F36 N8 O24 S12 -","4","1","BK1611","Zheng, Zhiping; Wang, Jiafu; Liu, Hui; Carducci, Michael D.; Peyghambarian, Nasser; Jabbourb, Ghassan E.","A triboluminescent europium(III) complex","Acta Crystallographica Section C","2002","58","1","m50","m52","10.1107/S0108270101016432","","","0.71073","MoKα","","0.0347","0.0261","","","0.0573","0.0616","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012418","7.7004","0.0004","9.5777","0.0005","16.5825","0.0008","90","","90","","90","","1222.99","0.11","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Vanadyl pyrophosphate","Oxovanadium(IV) diphosphate","","- O9 P2 V2 -","- O9 P2 V2 -","- O72 P16 V16 -","8","2","BR1349","Geupel, Sandra; Pilz, Katrin; van Smaalen, Sander; Büllesfeld, Frank; Prokofiev, Andrei; Assmus, Wolf","Synchrotron-radiation study of the two-leg spin-ladder (VO)~2~P~2~O~7~ at 120K","Acta Crystallographica Section C","2002","58","1","i9","i13","10.1107/S0108270101017553","","","0.70843","synchrotron","","0.0352","0.0306","","","0.0675","0.0684","","","","","","0.877","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012430","24.41","0.02","14.479","0.006","7.63","0.004","90","","90","","90","","2697","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","{5-(dimethylamino)-2-[N-(4-methoxyphenyl)iminomethyl]phenyl}[N-(4- methoxyphenyl)-4-nitrosalicylaldiminato]palladium(II)","","- C30 H28 N4 O5 Pd -","- C30 H28 N4 O5 Pd -","- C120 H112 N16 O20 Pd4 -","4","1","GD1166","Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara","Two orthopalladated chromophores","Acta Crystallographica Section C","2002","58","1","m26","m28","10.1107/S0108270101014147","","","0.71069","MoKα","","0.1659","0.0553","","","0.0979","0.1237","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012439","27.1214","0.0003","7.1327","0.0001","7.4776","0.0001","90","","90","","90","","1446.53","0.03","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Hexamethylenetetramine-4-hydroxy-3-methoxybenzaldehyde","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C56 H80 N16 O12 -","4","1","LN1127","Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok","A 1:1 adduct of hexamethylenetetramine and 4-hydroxy-3-methoxybenzaldehyde","Acta Crystallographica Section C","2002","58","1","o48","o50","10.1107/S0108270101020194","","","0.71073","MoKα","","0.0631","0.0486","","","0.1071","0.1134","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012509","6.203","0.001","7.259","0.001","22.657","0.005","90","","90","","90","","1020.2","0.3","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Methyl 3-(4-methoxyphenyl)propenoate","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","NA1531","Bujak, Maciej; Zaleski, Jacek; Prezhdo, Victor; Uspenskiy, Boris","Methyl 3-(4-methoxyphenyl)prop-2-enoate","Acta Crystallographica Section C","2002","58","2","o76","o77","10.1107/S0108270101019539","","","0.71073","MoKα","","0.059","0.042","","","0.109","0.119","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012619","13.3194","0.0003","7.7311","0.0001","16.5545","0.0003","90","","90","","90","","1704.68","0.05","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","3,4-(4-methoxybenzo):8,9-benzo-bicyclo[4.4.1]undeca-3,9-dien-11-one ethylene acetal","5-methoxyspiro[tetracyclo[8.8.1.0^3,8^.0^12,17^]nonadeca-3,5,7,12,14,16-hexene- 19,2'-[1,3]dioxolane]","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","BM1488","Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A.","3,4-(4-Methoxybenzo):8,9-benzobicyclo[4.4.1]undeca-3,8-dien-11-one ethylene acetal","Acta Crystallographica Section C","2002","58","4","o218","o219","10.1107/S0108270102001816","","","0.71073","MoKα","","0.0378","0.0338","","","0.082","0.0842","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012657","7.5113","0.0014","7.2791","0.0013","13.898","0.003","90","","90","","90","","759.9","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Aminobenzenesulfonic acid","","- C6 H7 N O3 S -","- C6 H7 N O3 S -","- C24 H28 N4 O12 S4 -","4","1","SK1537","Low, John N.; Glidewell, Christopher; .","A quasi-diamondoid hydrogen-bonded framework in anhydrous sulfanilic acid","Acta Crystallographica Section C","2002","58","4","o209","o211","10.1107/S0108270102003025","","","0.71073","MoKα","","0.0262","0.0252","","","0.0688","0.0692","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012931","17.779","0.004","5.535","0.001","10.652","0.002","90","","90","","90","","1048.2","0.4","90","0.2","90","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-aminophenyl)-1-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","GD1210","Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek","Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2002","58","9","o545","o548","10.1107/S0108270102011952","","","0.71073","MoKα","","0.035","0.031","","","0.065","0.067","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013030","10.69","0.002","5.5066","0.0011","21.363","0.004","90","","90","","90","","1257.5","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H14 N4 -","- C15 H14 N4 -","- C60 H56 N16 -","4","1","","Lynch, Daniel E.; McClenaghan, Ian","1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone","Acta Crystallographica, Section C","2002","58","","o642","o644","10.1107/S0108270102017109","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2013039","25.6945","0.0015","16.0188","0.0011","7.975","0.0004","90","","90","","90","","3282.5","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(±)-6-tert-butyl-8-hydroxymethyl-2-phenyl-4H-benzo-1,3-dioxin","","- C19 H22 O3 -","- C19 H22 O3 -","- C152 H176 O24 -","8","2","LN1148","Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre","(±)-6-<i>tert</i>-Butyl-8-hydroxymethyl-2-phenyl-4<i>H</i>-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4<i>H</i>-1,3-benzodioxin)","Acta Crystallographica Section C","2002","58","11","o649","o651","10.1107/S0108270102017481","","","0.71073","MoKα","","0.08","0.051","","","0.095","0.107","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013114","22.335","0.0001","10.9094","0.0002","22.1061","0.0002","90","","90","","90","","5386.4","0.11","290","2","290","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol- 1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate","","- C58 H58 Co N12 O6 -","- C58 H58 Co N12 O6 -","- C232 H232 Co4 N48 O24 -","4","1","BM1518","Halcrow, Malcolm A.; Kilner, Colin A.","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}cobalt(II) dinitrate at 290 and 150K","Acta Crystallographica Section C","2003","59","2","m61","m63","10.1107/S0108270102023296","","","0.71073","MoKα","","0.044","0.037","","","0.097","0.104","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013115","22.1974","0.0002","10.7761","0.0001","22.0365","0.0001","90","","90","","90","","5271.16","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol- 1-yl-κN^2^]pyridine-κN}cobalt(II) dinitrate","","- C58 H58 Co N12 O6 -","- C58 H58 Co N12 O6 -","- C232 H232 Co4 N48 O24 -","4","1","BM1518","Halcrow, Malcolm A.; Kilner, Colin A.","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}cobalt(II) dinitrate at 290 and 150K","Acta Crystallographica Section C","2003","59","2","m61","m63","10.1107/S0108270102023296","","","0.71073","MoKα","","0.04","0.037","","","0.095","0.099","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013209","24.0858","0.0011","5.0699","0.0002","10.508","0.0004","90","","90","","90","","1283.16","0.09","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Iodobenzaldehyde-4-nitrophenylhydrazone","","- C13 H10 I N3 O2 -","- C13 H10 I N3 O2 -","- C52 H40 I4 N12 O8 -","4","1","SK1609","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo–nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone <i>versus</i> disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2003","59","3","o98","o101","10.1107/S0108270103001379","","","0.71073","MoKα","","0.0654","0.0356","","","0.0714","0.0804","","","","","","1.021","","","","has coordinates,has Fobs","291473","2024-05-03","10:34:51",""
"2013247","14.3719","0.0003","22.865","0.0006","7.0703","0.0001","90","","90","","90","","2323.4","0.08","100","2","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H14 O -","- C16 H14 O -","- C128 H112 O8 -","8","2","BM1526","Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.","(2<i>RS</i>)-5,6:7,8-Dibenzobicyclo[2.2.2]octan-2-ol","Acta Crystallographica Section C","2003","59","6","o283","o285","10.1107/S010827010300708X","","","0.71073","MoKα","","","0.055","","","","0.141","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013386","15.07","0.003","6.4292","0.0012","9.8694","0.0018","90","","90","","90","","956.2","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H13 N5 -","- C8 H13 N5 -","- C32 H52 N20 -","4","1","AV1140","Lyakhov, Alexander S.; Voitekhovich, Sergey V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.","Non-linear optical crystals of 2,2,3-trimethyl-3-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)butanenitrile","Acta Crystallographica Section C","2003","59","7","o388","o389","10.1107/S0108270103011387","","","0.71073","MoKα","","0.0412","0.0367","","","0.1027","0.1076","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013478","8.9402","0.0002","17.2777","0.0005","11.3437","0.0004","90","","90","","90","","1752.22","0.09","100","2","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H15 N O4 S2 -","- C18 H15 N O4 S2 -","- C72 H60 N4 O16 S8 -","4","1","LN1169","Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.","1,1-Bis(phenylsulfonyl)-1-(pyridinio)methanide","Acta Crystallographica Section C","2003","59","7","o376","o377","10.1107/S0108270103010655","","","0.71073","MoKα","","","0.0556","","","","0.1162","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013512","13.756","0.0003","12.7389","0.0002","8.5031","0.0002","90","","90","","90","","1490.05","0.05","160","2","160","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(2-Naphthyloxymethylcarbonyl)-4-methylpiperazine","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","SK1649","Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o467","o469","10.1107/S0108270103013258","","","0.71073","MoKα","","0.0532","0.0393","","","0.0885","0.0951","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013692","7.371","0.002","12.139","0.005","28.274","0.011","90","","90","","90","","2529.9","1.6","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^C^1^,O)tellurium(IV)","","- C8 H8 Br3 N O2 Te -","- C8 H8 Br3 N O2 Te -","- C64 H64 Br24 N8 O16 Te8 -","8","2","SQ1028","Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II)","Acta Crystallographica Section C","2003","59","10","o571","o574","10.1107/S0108270103017955","","","0.71073","MoKα","","0.041","0.035","","","0.085","0.087","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013816","12.016","0.003","10.347","0.002","19.233","0.004","90","","90","","90","","2391.2","0.9","293","2","293","2","","","","","","","","2","P c a 21","P 2c -2ac","29","COT-dimer","6a,6b,12a,12b-tetrahydrocycloocta[3,4]cyclobuta[a]cyclooctene","","- C16 H16 -","- C16 H16 -","- C128 H128 -","8","2","LN1180","Mehta, Goverdhan; Vanessa, Gagliardini; Islam, Kabirul; Kailasam Venkatesan","6a,6b,12a,12b-Tetrahydrocycloocta[3,4]cyclobuta[1,2][8]annulene","Acta Crystallographica Section C","2004","60","1","o90","o93","10.1107/S0108270103024181","","","0.71073","MoKα","","0.0507","0.0419","","","0.1089","0.1149","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014019","8.44","0.002","8.278","0.002","12.521","0.003","90","","90","","90","","874.8","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Glycine zinc sulfate trihydrate","","","- C2 H11 N O9 S Zn -","- C2 H11 N O9 S Zn -","- C8 H44 N4 O36 S4 Zn4 -","4","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0399","0.0301","","","0.0628","0.0669","","","","","","1.018","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014118","10.7716","0.0012","7.0104","0.0007","15.5546","0.0014","90","","90","","90","","1174.6","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","2-(6-bromo-pyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane","6a-(6-bromopyridin-2-yl)-3a-methyl-2,3,4,5-tetrahydro1,6-dioxa-3a-aza-6a- borapentalene","","- C10 H14 B Br N2 O2 -","- C10 H14 B Br N2 O2 -","- C40 H56 B4 Br4 N8 O8 -","4","1","DN1051","Sopková-de Oliveira Santos, Jana; Bouillon, Alexandre; Lancelot, Jean-Charles; Rault, Sylvain","2-(6-Bromopyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane, a new stable (pyridin-2-yl)boronic acid derivative","Acta Crystallographica Section C","2004","60","8","o582","o584","10.1107/S0108270104014520","","","0.71073","MoKα","","0.0706","0.0492","","","0.131","0.1442","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014121","19.479","0.001","5.61","0.001","33.586","0.003","90","","90","","90","","3670.2","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","ethyl 1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole-3-carboxylate","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C152 H144 N16 O32 S8 -","8","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0925","0.0378","","","0.0837","0.102","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014516","38.293","0.006","13.246","0.002","12.888","0.002","90","","90","","90","","6537.2","1.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","1,4-Dimethylpyridinium hexakis(dimethylformamide-κO)calcium(II) tetracontaoxophosphidododecamolybdate","","- C25 H52 Ca Mo12 N7 O46 P -","- C25 H52 Ca Mo12 N7 O46 P -","- C100 H208 Ca4 Mo48 N28 O184 P4 -","4","1","OB1193","Xue-Jie Tan; Si-Xiu Sun; Jian-Ping Ma; Lian-Dong Liu; Yu-Bin Dong; Wen-Tao Yu; Dian-Xiang Xing","1,4-Dimethylpyridinium hexakis(dimethylformamide-κ<i>O</i>)calcium(II) dodecamolybdophosphate","Acta Crystallographica Section C","2004","60","10","m476","m478","10.1107/S0108270104019705","","","0.71073","MoKα","","0.0714","0.06","","","0.1209","0.1267","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014656","22.887","0.009","7.25","0.003","9.497","0.004","90","","90","","90","","1575.8","1.1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-4-(trifluoromethyl)piperidine- 2,6-dione","","- C15 H10 Cl F4 N O3 -","- C15 H10 Cl F4 N O3 -","- C60 H40 Cl4 F16 N4 O12 -","4","1","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.0689","0.0465","","","0.1124","0.1236","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014718","20.8346","0.0007","8.0289","0.0003","21.3189","0.0008","90","","90","","90","","3566.2","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]","","- C38 H34 Mn2 N6 O8 -","- C38 H34 Mn2 N6 O8 -","- C152 H136 Mn8 N24 O32 -","4","1","OB1213","Zhang, Quan-Zheng; Lu, Can-Zhong","Di-μ-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]","Acta Crystallographica Section C","2005","61","2","m78","m80","10.1107/S0108270104032615","","","0.71073","MoKα","","0.0432","0.0401","","","0.0978","0.1007","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014972","11.767","0.002","7.418","0.0015","33.87","0.007","90","","90","","90","","2956.4","1","298","2","298","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","catena-Poly[[{4-bromo-2-[2- (dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-thiocyanato]","","- C12 H14 Br Cu N3 O S -","- C12 H14 Br Cu N3 O S -","- C96 H112 Br8 Cu8 N24 O8 S8 -","8","2","DN1095","You, Zhong-Lu","<i>catena</i>-Poly[[{4-bromo-2-[2-(dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","9","m406","m408","10.1107/S0108270105023139","","","0.71073","MoKα","","0.0415","0.0358","","","0.0891","0.0916","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014978","17.805","0.006","7.002","0.002","12.071","0.006","90","","90","","90","","1504.9","1","291","2","291","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","Tetragermanium nonaselenide","","- Ge4 Se9 -","- Ge4 Se9 -","- Ge16 Se36 -","4","1","FA1148","Jung-Eun Kwak; Hoseop Yun","Reinvestigation of Ge~4~Se~9~ based on single-crystal data","Acta Crystallographica Section C","2005","61","8","i81","i82","10.1107/S0108270105021979","","","0.71073","MoKα","","","0.0371","","","","0.0742","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015077","13.3146","0.0008","5.7488","0.0004","7.1774","0.0006","90","","90","","90","","549.38","0.07","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-aminoethene-1,1,2-tricarbonitrile","","- C5 H2 N4 -","- C5 H2 N4 -","- C20 H8 N16 -","4","1","SQ1210","Tafeenko, Viktor A.; Paseshnichenko, Ksenia A.; Ershov, Oleg V.; Eremkin, Andrey V.; Aslanov, Leonid A.","The twofold interpenetrated three-connected three-dimensional (10,3)-net in 2-aminoethene-1,1,2-tricarbonitrile","Acta Crystallographica Section C","2005","61","7","o434","o437","10.1107/S0108270105016070","","","0.71073","MoKα","","0.0329","0.0316","","","0.0844","0.0851","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015133","14.802","0.003","8.6144","0.0018","17.832","0.004","90","","90","","90","","2273.8","0.8","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis[(2-pyridyl)(2-pyridylamino)methanolato]cobalt(III) perchlorate","","- C22 H20 Cl Co N6 O6 -","- C22 H20 Cl Co N6 O6 -","- C88 H80 Cl4 Co4 N24 O24 -","4","1","FA1161","Adams, Harry; Shongwe, Musa S.; Al-Bahri, Ibtisam; Al-Busaidi, Eiman; Morris, Michael J.","Bis[(2-pyridyl)(2-pyridylamino)methanolato]cobalt(III) perchlorate: a consequence of cobalt ion-assisted oxidative deamination of a tris(pyridyl)aminal ligand","Acta Crystallographica Section C","2005","61","12","m497","m500","10.1107/S0108270105033913","","","0.71073","MoKα","","0.0668","0.0599","","","0.1543","0.1593","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015273","8.0954","0.0002","11.7686","0.0006","11.0026","0.0006","90","","90","","90","","1048.23","0.08","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,2'-bipyridinium thiocyanate","","- C11 H9 N3 S -","- C11 H9 N3 S -","- C44 H36 N12 S4 -","4","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.0348","0.0307","","","0.0753","0.0774","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015370","16.4251","0.0007","10.2676","0.0005","16.355","0.0007","90","","90","","90","","2758.2","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV)","(1,4,7,10,13,16-hexaoxacyclooctadecane-1κ^6^O)-μ-oxo-1:2κ^2^O:O- hexakis(tetrahydroborato)-1κ^3^H;2κ^4^H;2κ^9^H-diuranium(IV)","","- C12 H48 B6 O7 U2 -","- C12 H48 B6 O7 U2 -","- C48 H192 B24 O28 U8 -","4","1","GG3015","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV): an unprecedented asymmetric dinuclear complex","Acta Crystallographica Section C","2006","62","6","m243","m245","10.1107/S0108270106014934","","","0.71073","MoKα","","0.0368","0.0293","","","0.057","0.059","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015426","12.159","0.0002","8.5666","0.0001","9.9999","0.0001","90","","90","","90","","1041.6","0.02","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-(4-hydroxyphenyl)-4,4-dimethyl-2-oxazoline","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","FG3022","Vratislav Langer; Dalma Gyepesová; Eva Scholtzová; Jozef Lustoň; Juraj Kronek; Miroslav Koóš","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline: X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","7","o416","o418","10.1107/S0108270106019238","","","0.71073","MoKα","","0.0421","0.0364","","","0.1011","0.1054","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015827","18.914","0.009","6.88","0.003","25.927","0.011","90","","90","","90","","3374","3","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E,Z,E)-1-(4-ethoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","2","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.1495","0.0638","","","0.1297","0.155","","","","","","0.921","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015953","8.6963","0.0004","24.5966","0.0011","14.3247","0.0007","90","","90","","90","","3064","0.2","105","2","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Chloro-6-(2-furyl)-9-(4-methoxybenzyl)-9H-purine","","- C17 H13 Cl N4 O2 -","- C17 H13 Cl N4 O2 -","- C136 H104 Cl8 N32 O16 -","8","2","LN3042","Braendvang, Morten; Gundersen, Lise-Lotte","2-Chloro-6-(2-furyl)-9-(4-methoxybenzyl)-9<i>H</i>-purine","Acta Crystallographica Section C","2007","63","5","o274","o276","10.1107/S0108270107011596","","","0.71073","MoKα","","","0.0385","","","","0.088","","","","","","0.891","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015966","15.0896","0.0006","11.5525","0.0005","7.8694","0.0003","90","","90","","90","","1371.81","0.1","153","2","153","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-[4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate","","- C12 H11 Cl N4 O4 -","- C12 H11 Cl N4 O4 -","- C48 H44 Cl4 N16 O16 -","4","1","SK3115","Ghazzali, Mohamed; Langer, Vratislav; Öhrström, Lars; Abu-Youssef, Morsy","4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate) and 4-[(4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate: two different hydrogen-bonding motifs","Acta Crystallographica Section C","2007","63","5","o312","o314","10.1107/S0108270107015764","","","0.71073","MoKα","","0.0415","0.0322","","","0.0779","0.0822","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016114","15.0138","0.0009","5.2952","0.0003","10.9469","0.0006","90","","90","","90","","870.29","0.09","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0494","0.0392","","","0.088","0.0925","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016304","20.8868","0.0006","6.00175","0.00018","17.3531","0.0005","90","","90","","90","","2175.34","0.11","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1-(4-methoxyphenyl)-2,2-dimethylpropan-1-ol","","- C12 H18 O2 -","- C12 H18 O2 -","- C96 H144 O16 -","8","2","BM3037","Gliński, Marek; Wilczkowska, Ewa; Madura, Izabela D.; Zachara, Janusz","Hydrogen-bonded networks in 1-(4-methoxyphenyl)-2,2-dimethylpropan-1-ol","Acta Crystallographica Section C","2007","63","12","o720","o722","10.1107/S0108270107046975","","","0.71073","MoKα","","0.0315","0.0273","","","0.072","0.0733","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016475","11.536","0.001","6.7868","0.0007","8.3073","0.0009","90","","90","","90","","650.4","0.11","298","","298","","101","","101","","","","","4","P c a 21","P 2c -2ac","29","","Poly[μ-2-aminopyrazine-κ^2^N^1^:N^4^-μ-cyanido-copper(I)]","","- C5 H5 Cu N4 -","- C5 H5 Cu N4 -","- C20 H20 Cu4 N16 -","4","1","FA3122","Pagola, Silvina; Pike, Robert D.; deKrafft, Kathryn; Tronic, Tristan A.","Poly[μ-2-aminopyrazine-κ^2^<i>N</i>^1^:<i>N</i>^4^-μ-cyanido-copper(I)]: a three-dimensional network from laboratory powder diffraction data","Acta Crystallographica Section C","2008","64","3","m134","m136","10.1107/S010827010800231X","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0834","1.72","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016738","23.557","0.003","9.9789","0.0015","20.3594","0.0017","90","","90","","90","","4785.9","1","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(<i>tert</i>-Butylamino)-4-chloro-6-ethylamino-1,3,5-triazine","","- C9 H16 Cl N5 -","- C9 H16 Cl N5 -","- C144 H256 Cl16 N80 -","16","4","SK3255","Quesada, Antonio; Fontecha, Maria A.; López, Maria V.; Low, John N.; Glidewell, Christopher","2-<i>tert</i>-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine: a structure with <i>Z</i>' = 4 containing two different molecular conformations and two independent chains of hydrogen-bonded <i>R</i>~2~^2^(8) rings","Acta Crystallographica Section C","2008","64","8","o463","o466","10.1107/S0108270108021355","","","0.71073","MoKα","","0.0938","0.0579","","","0.135","0.1595","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017034","6.6312","0.0011","6.8121","0.0015","27.653","0.007","90","","90","","90","","1249.2","0.5","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.0729","0.0566","","","0.1363","0.1472","","","","","","1.141","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017055","23.222","0.003","5.884","0.0007","23.994","0.003","90","","90","","90","","3278.5","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","3,5-bis[(<i>E</i>)-5-bromo-2-thienylidene]-1-methyl-4-piperidone","","- C16 H13 Br2 N O S2 -","- C16 H13 Br2 N O S2 -","- C128 H104 Br16 N8 O8 S16 -","8","2","GZ3158","Tongwa, Paul; Kinnibrugh, Tiffany L.; Kicchaiahgari, Geetha R.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","From small structural modifications to adjustment of structurally dependent properties: 1-methyl-3,5-bis[(<i>E</i>)-2-thienylidene]-4-piperidone and 3,5-bis[(<i>E</i>)-5-bromo-2-thienylidene]-1-methyl-4-piperidone","Acta Crystallographica Section C","2009","65","4","o155","o159","10.1107/S0108270109008336","","","0.71073","MoKα","","0.0916","0.0544","","","0.1115","0.1219","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017420","17.194","0.002","4.94","0.001","8.901","0.001","90","","90","","90","","756","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","cytosinium perchlorate","cytosinium perchlorate","","- C4 H6 Cl N3 O5 -","- C4 H6 Cl N3 O5 -","- C16 H24 Cl4 N12 O20 -","4","1","BD3008","Bensegueni, Med Abdellatif; Cherouana, Aouatef; Bendjeddou, Lamia; Lecomte, Claude; Dahaoui, Slimane","Influence of anion substitution on hydrogen-bonding patterns of salt compounds: cytosinium hydrogen sulfate and cytosinium perchlorate","Acta Crystallographica Section C","2009","65","12","o607","o611","10.1107/S0108270109043765","","","0.71073","MoKα","","0.0196","0.019","","","0.0539","0.0551","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017476","10.7926","0.0018","14.931","0.002","7.8275","0.0011","90","","90","","90","","1261.4","0.3","299","2","299","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1,3-diphenylbutan-1-one","","- C16 H16 O -","- C16 H16 O -","- C64 H64 O4 -","4","1","GZ3170","Bakowicz, Julia; Turowska-Tyrk, Ilona","Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone","Acta Crystallographica Section C","2010","66","1","o29","o32","10.1107/S0108270109052858","","","0.71073","MoKα","","0.0438","0.0382","","","0.1088","0.1152","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017811","17.006","0.0004","7.957","0.0002","31.76","0.0005","90","","90","","90","","4297.66","0.16","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)","","- C40 H30 Fe N20 O2 S2 -","- C40 H30 Fe N20 O2 S2 -","- C160 H120 Fe4 N80 O8 S8 -","4","1","FG3192","Setifi, Zouaoui; Gaamoune, Bachir; Stoeckli-Evans, Helen; Rouag, Djamil-Azzeddine; Setifi, Fatima","A new coordination complex based on a polynitrile ligand: bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)","Acta Crystallographica Section C","2010","66","10","m286","m289","10.1107/S010827011003578X","","","0.71073","MoKα","","0.0787","0.0383","","","0.0811","0.1033","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017957","20.7274","0.0006","5.7456","0.0001","9.1455","0.0003","90","","90","","90","","1089.15","0.05","290","","290","","","","","","","","","3","P c a 21","P 2c -2ac","29","","<i>N</i>'-Anilinopyrazine-2-carboximidamide","","- C11 H11 N5 -","- C11 H11 N5 -","- C44 H44 N20 -","4","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0423","0.0295","","","0.0657","0.0681","","","","","","0.904","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018132","9.441","0.014","12.56","0.02","13.69","0.02","90","","90","","90","","1623","4","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-amino-6-methylpyridin-1-ium 2-carboxy-3,4,5,6-tetrachlorobenzoate","","- C14 H10 Cl4 N2 O4 -","- C14 H10 Cl4 N2 O4 -","- C56 H40 Cl16 N8 O16 -","4","1","GD3389","Waddell, Paul G.; Hulse, Jeremy O. S.; Cole, Jacqueline M.","Two hydration products of 3,4,5,6-tetrachloro-<i>N</i>-(methyl-2-pyridyl)phthalmic acids","Acta Crystallographica Section C","2011","67","7","o255","o258","10.1107/S0108270111022384","","","0.71073","MoKα","","0.063","0.0571","","","","0.1274","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018296","11.1825","0.0018","6.9752","0.0012","8.793","0.0015","90","","90","","90","","685.9","0.2","297","2","297","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Racemic epi-inosose","(2<i>RS</i>,3<i>SR</i>,5<i>SR</i>,6<i>SR</i>)-<i>epi</i>-inosose","","- C6 H10 O6 -","- C6 H10 O6 -","- C24 H40 O24 -","4","1","SF3158","Krishnaswamy, Shobhana; Patil, Madhuri T.; Shashidhar, Mysore S.","Comparison of racemic <i>epi</i>-inosose and ({-})-<i>epi</i>-inosose","Acta Crystallographica Section C","2011","67","11","o435","o438","10.1107/S0108270111039412","","","0.71073","MoKα","","0.0265","0.0263","","","0.0679","0.068","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018309","10.641","0.005","5.134","0.002","19.096","0.008","90","","90","","90","","1043.2","0.8","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,5-bis(thiophen-2-yl)-1,3,4-selenadiazole","","- C10 H6 N2 S2 Se -","- C10 H6 N2 S2 Se -","- C40 H24 N8 S8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0687","0.0538","","","0.1031","0.1156","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018554","9.8","0.002","19.039","0.004","6.8975","0.0015","90","","90","","90","","1287","0.5","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","","- C10 H19 Cu N5 O5 -","- C10 H19 Cu N5 O5 -","- C40 H76 Cu4 N20 O20 -","4","1","BG3151","He, Jiao-Jiao; Chai, Wen-Xiang; Song, Li; Niu, Feng; Fang, Xiao-Bin","A new potential NLO compound with a supramolecular layered structure: aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2012","68","8","m206","m208","10.1107/S0108270112028442","","","0.71075","MoKα","","0.0304","0.0264","","","0.0595","0.0614","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018747","15.2133","0.0007","7.4335","0.0013","24.445","0.003","90","","90","","90","","2764.4","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-Amino-2-thiouracil dimethylacetamide sesquisolvate","","- C20 H37 N9 O5 S2 -","- C20 H37 N9 O5 S2 -","- C80 H148 N36 O20 S8 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.107","0.0634","","","0.1","0.1127","","","","","","0.934","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018748","15.2293","0.001","7.5483","0.0004","25.1871","0.0013","90","","90","","90","","2895.4","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-Amino-2-thiouracil 1-methylpyrrolidin-2-one sesquisolvate","","- C23 H37 N9 O5 S2 -","- C23 H37 N9 O5 S2 -","- C92 H148 N36 O20 S8 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.0747","0.062","","","0.1648","0.1698","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018759","11.147","0.006","5.985","0.003","16.32","0.008","90","","90","","90","","1088.8","1","93","1","93","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Tripotassium formatotetraperoxidodimolybdate","Tripotassium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H K3 Mo2 O13 -","- C H K3 Mo2 O13 -","- C4 H4 K12 Mo8 O52 -","4","1","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0163","0.0159","","","0.0398","0.0401","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018760","11.472","0.004","6.208","0.002","16.633","0.006","90","","90","","90","","1184.6","0.7","93","2","93","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Trirubidium formatotetraperoxidodimolybdate","Trirubidium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H Mo2 O13 Rb3 -","- C H Mo2 O13 Rb3 -","- C4 H4 Mo8 O52 Rb12 -","4","1","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0265","0.0254","","","0.0573","0.0582","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018837","11.5273","0.0009","13.4634","0.001","8.3956","0.0006","90","","90","","90","","1302.97","0.17","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-Cyclohexyl-2-(methylsulfanyl)nicotinamide","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.71075","MoKα","","0.0245","0.0238","","","0.063","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018878","8.5614","","8.5657","","12.1196","","90","","90","","90","","888.783","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Co3 (B7 O13) Br","","- B7 Br Co3 O13 -","- B7 Br Co3 O13 -","- B28 Br4 Co12 O52 -","4","1","","Schmid, H.; Kubel, F.; Mao, S.Y.","Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3B7O13Br and nickel chlorine boracite, Ni3B7O13Cl","Acta Crystallographica C (39,1983-)","1992","48","","1167","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018880","8.5105","","8.4984","","12.0324","","90","","90","","90","","870.251","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ni3 (B7 O13 Cl)","","- B7 Cl Ni3 O13 -","- B7 Cl Ni3 O13 -","- B28 Cl4 Ni12 O52 -","4","1","","Kubel, F.; Mao, S.Y.; Schmid, H.","Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3 B7 O13 Br and nickel chlorine boracite, Ni3 B7 O13 Cl","Acta Crystallographica C (39,1983-)","1992","48","","1167","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018909","9.5819","0.0002","6.78424","0.00014","11.7152","0.0003","90","","90","","90","","761.56","0.03","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Betaine 0.77-perhydrate 0.23-hydrate","2-(Trimethylazaniumyl)acetate 0.77-perhydrate 0.23-hydrate","","- C5 H13 N O3.77 -","- C5 H13 N O3.767 -","- C20 H52 N4 O15.068 -","4","1","KU3089","Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.","Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates","Acta Crystallographica Section C","2013","69","4","416","420","10.1107/S0108270113005386","","","0.71073","MoKα","","0.0404","0.0338","","","0.0766","0.0808","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018910","9.4916","0.00015","6.7062","0.00011","11.5975","0.0002","90","","90","","90","","738.21","0.02","100","2","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","Betaine 0.76-perhydrate 0.24-hydrate","2-(Trimethylazaniumyl)acetate 0.77-perhydrate 0.23-hydrate","","- C5 H13 N O3.76 -","- C5 H13 N O3.762 -","- C20 H52 N4 O15.048 -","4","1","KU3089","Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.","Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates","Acta Crystallographica Section C","2013","69","4","416","420","10.1107/S0108270113005386","","","0.71073","MoKα","","0.0258","0.0253","","","0.0648","0.0651","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018948","16.7042","0.0014","7.1632","0.0007","15.0528","0.0011","90","","90","","90","","1801.2","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-[8-(3,5-Dimethylphenyl)naphthalen-1-yl]-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C23 H16 N4 -","- C23 H16 N4 -","- C92 H64 N16 -","4","1","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","1.5418","CuKα","","0.0271","0.0268","","","0.0701","0.0703","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019126","41.357","0.002","3.9369","0.0003","11.4761","0.0005","90","","90","","90","","1868.52","0.19","200","1","200","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine‒2-(naphthalen-2-yloxy)acetic acid (1/1)","","- C20 H16 Br N3 O3 S -","- C20 H16 Br N3 O3 S -","- C80 H64 Br4 N12 O12 S4 -","4","1","FG3301","Smith, Graham; Lynch, Daniel E.","Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2013","69","9","1034","1038","10.1107/S0108270113019665","","","0.71073","MoKα","","0.0675","0.0556","","","0.0837","0.088","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019511","11.46","0.002","16.543","0.003","14.674","0.003","90","","90","","90","","2781.9","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[diaquabis[2-(pyridin-3-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole]cobalt(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C32 H26 Co N6 O6 -","- C32 H26 Co N6 O6 -","- C128 H104 Co4 N24 O24 -","4","1","","Chen, Xiao-Hua; Huang, Hua; Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen","Cd^II^ and Co^II^ coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1<i>H</i>-benzimidazole ligands","Acta Crystallographica Section C","2014","70","5","488","492","10.1107/S2053229614007992","","","0.71073","MoKα","","0.0413","0.0399","","","0.107","0.1084","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019521","14.0182","0.0008","8.1493","0.0005","12.8767","0.0008","90","","90","","90","","1471.02","0.15","170","2","170","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8 H20 Cl4 Fe N -","- C32 H80 Cl16 Fe4 N4 -","4","1","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.015","0.0141","","","0.0332","0.0335","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019522","13.9816","0.0006","8.1243","0.0003","12.8097","0.0006","90","","90","","90","","1455.06","0.11","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8 H20 Cl4 Fe N -","- C32 H80 Cl16 Fe4 N4 -","4","1","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.0127","0.0122","","","0.0295","0.0296","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019607","11.4287","0.0018","12.068","0.002","7.5427","0.0013","90","","90","","90","","1040.3","0.3","200","2","200","1","","","","","","","","5","P c a 21","P 2c -2ac","29","ammonium <i>p</i>-arsanilate monohydrate","Ammonium 4-aminophenylarsonate monohydrate","","- C6 H13 As N2 O4 -","- C6 H13 As N2 O4 -","- C24 H52 As4 N8 O16 -","4","1","KY3057","Smith, Graham; Wermuth, Urs D.","The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014867","","","0.71073","MoKα","","0.0307","0.0274","","","0.0646","0.0672","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019608","10.4069","0.0013","13.641","0.0017","7.7494","0.0009","90","","90","","90","","1100.1","0.2","200","1","200","1","","","","","","","","6","P c a 21","P 2c -2ac","29","sodium <i>p</i>-arsanilate trihydrate","<i>catena</i>-poly[[(4-aminophenylarsonato-κ<i>O</i>)diaquasodium]-μ-aqua]","","- C6 H13 As N Na O6 -","- C6 H13 As N Na O6 -","- C24 H52 As4 N4 Na4 O24 -","4","1","KY3057","Smith, Graham; Wermuth, Urs D.","The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014867","","","0.71073","MoKα","","0.0355","0.0325","","","0.0704","0.0726","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019687","14.2636","0.0006","16.6789","0.0006","6.0084","0.0002","90","","90","","90","","1429.41","0.09","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","SK3565","Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one and its cyclocondensation product with guanidine, (4<i>RS</i>)-2-amino-4-(6-methoxynaphthalen-2-yl)-6-(pyridin-3-yl)-3,4-dihydropyrimidine monohydrate: two types of hydrogen-bonded sheet","Acta Crystallographica Section C","2014","70","11","1011","1016","10.1107/S2053229614021524","","","0.71073","MoKα","","0.0407","0.0354","","","0.0968","0.0998","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019707","23.695","0.002","12.8861","0.0012","11.1594","0.001","90","","90","","90","","3407.4","0.5","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Poly[[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>')cadmium(II)] dimethylformamide monosolvate]","","- C37 H35 Cd N3 O5 P2 -","- C37 H35 Cd N3 O5 P2 -","- C148 H140 Cd4 N12 O20 P8 -","4","1","YP3082","Rood, Jeffrey A.; Boyer, Steven; Oliver, Allen G.","One- and two-dimensional Cd^II^ coordination polymers incorporating organophosphinate ligands","Acta Crystallographica Section C","2014","70","11","1069","1074","10.1107/S2053229614022256","","","0.7749","synchrotron","","0.0442","0.0392","","","0.1007","0.1058","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019729","14.0348","0.001","8.1362","0.0007","12.8892","0.0012","90","","90","","90","","1471.8","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetraethylammonium tetrachloridoaluminate","","- C8 H20 Al Cl4 N -","- C8 H20 Al Cl4 N -","- C32 H80 Al4 Cl16 N4 -","4","1","SK3567","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","Two ammonium tetrachloridoaluminate salts: how a twinned orthorhombic structure emulates a trigonal crystal system","Acta Crystallographica Section C Structural Chemistry","2014","70","12","","","10.1107/S2053229614022621","","","0.71073","MoKα","","0.0245","0.0226","","","0.0514","0.0518","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019793","9.4272","0.0002","7.0774","0.0002","18.2519","0.0004","90","","90","","90","","1217.77","0.05","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0277","0.0274","","0.0801","0.0787","0.0801","","","","","","1.0067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019794","9.1478","0.0003","6.9826","0.0003","17.6799","0.0004","90","","90","","90","","1129.31","0.07","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0371","0.0352","","0.081","0.0797","0.081","","","","","","1.0429","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019795","8.8661","0.0005","6.9379","0.0004","17.12","0.003","90","","90","","90","","1053.1","0.2","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.033","0.0308","","0.0708","0.07","0.0708","","","","","","1.0252","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019796","8.4895","0.0002","6.8759","0.0002","16.6225","0.0014","90","","90","","90","","970.3","0.09","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0294","0.0269","","0.0623","0.0613","0.0623","","","","","","0.9648","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019797","8.4043","0.0002","6.8578","0.0002","16.5271","0.0012","90","","90","","90","","952.54","0.08","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0241","0.0216","","0.0546","0.0534","0.0546","","","","","","1.0195","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019798","8.3242","0.0004","6.8403","0.0003","16.447","0.002","90","","90","","90","","936.49","0.13","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0294","0.0255","","0.0583","0.0573","0.0583","","","","","","1.0191","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019799","8.3325","0.0008","6.814","0.002","16.4416","0.0016","90","","90","","90","","933.5","0.3","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0474","0.0426","","0.1062","0.1045","0.1062","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019806","8.9877","0.0004","7.3441","0.0002","32.825","0.0013","90","","90","","90","","2166.67","0.14","200","1","200","1","","","","","","","","5","P c a 21","P 2c -2ac","29","caesium (2,4-dichlorophenoxy)acetate hemihydrate","Poly[μ-aqua-bis[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1'^,<i>O</i>^2^:<i>Cl</i>]-dicaesium(I)]","","- C8 H6 Cl2 Cs O3.5 -","- C8 H6 Cl2 Cs O3.5 -","- C64 H48 Cl16 Cs8 O28 -","8","2","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0326","0.0293","","","0.0571","0.0586","","","","","","1.14","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2019964","13.653","0.0003","12.0003","0.0002","19.1982","0.0004","90","","90","","90","","3145.43","0.11","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexanol","(4-Hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl)bis(phenylmethanone)","","- C40 H36 O5 -","- C40 H36 O5 -","- C160 H144 O20 -","4","1","BG2554","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.; Ananyev, Ivan V.; Minyaeva, Tatyana V.; Mikhaylyev, Timofey A.","A structural study of (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009857","","","1.54178","CuKα","","0.0362","0.0338","","","0.087","0.0886","","","","","","1.027","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019972","29.2238","0.0013","8.2252","0.0004","12.8789","0.0006","90","","90","","90","","3095.7","0.2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Chlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(I) 0.18-hydrate","","- C15 H17.355 Cl Cu N3 O0.18 -","- C15 H17.3558 Cl Cu N3 O0.178 -","- C120 H138.846 Cl8 Cu8 N24 O1.424 -","8","2","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0533","0.0336","","","0.0586","0.0644","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2020039","21.143","0.004","8.0696","0.0016","21.473","0.004","90","","90","","90","","3663.6","1.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(4-aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C38 H34 Cd2 N6 O8 -","- C38 H34 Cd2 N6 O8 -","- C152 H136 Cd8 N24 O32 -","4","1","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0372","0.0304","","","0.0661","0.0683","","","","","","1.039","","","","has coordinates,has Fobs","141457","2020-10-21","18:00:00",""
"2020287","26.534","0.002","6.5377","0.0006","7.6136","0.0007","90","","90","","90","","1320.7","0.2","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Thymine‒β-resorcylic acid‒water (1/1/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒2,4-dihydroxybenzoic acid‒water (1/1/1)","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C48 H56 N8 O28 -","4","1","CU3091","Sridhar, Balasubramanian","Synthon preference in a hydrated β-resorcylic acid structure and its cocrystal with thymine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020628","","","0.71073","MoKα","","0.034","0.0328","","","0.0864","0.0873","","","","","","1.038","","","","has coordinates,has Fobs","170205","2020-10-21","18:00:00",""
"2020330","18.7061","0.0012","13.3342","0.0009","20.4516","0.0013","90","","90","","90","","5101.3","0.6","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Tribromido[μ-<i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-ylmethyl)ethylenediamine-<i>N</i>'-acetato]dizinc(II)","","- C22 H24 Br3 N5 O2 Zn2 -","- C22 H24 Br3 N5 O2 Zn2 -","- C176 H192 Br24 N40 O16 Zn16 -","8","2","LG3178","Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.","A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)","Acta Crystallographica Section C","2016","72","1","68","74","10.1107/S2053229615023773","","","0.71073","MoKα","","0.074","0.0396","","","0.0691","0.0779","","","","","","1.016","","","","has coordinates,has Fobs","176623","2020-10-21","18:00:00",""
"2020386","9.7969","0.0015","17.594","0.003","9.6425","0.0015","90","","90","","90","","1662","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Acetylanilino)-2-oxoethyl cinnamate","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","CU3092","Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon","Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate","Acta Crystallographica Section C","2016","72","2","94","98","10.1107/S205322961502433X","","","0.71073","MoKα","","0.1528","0.0568","","","0.0921","0.1194","","","","","","0.986","","","","has coordinates,has Fobs","177472","2020-10-21","18:00:00",""
"2020750","13.398","0.008","7.739","0.003","11.68","0.004","90","","90","","90","","1211.1","1","","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- F6 H8 N2 Zr -","- F6 N2 Zr -","- F48 N16 Zr8 -","8","2","","A. Zalkin; D. Eimerl; S. P. Velsko","Diammonium hexafluorozirconate","Acta Crystallographica, Section C","1988","44","","2050","2051","10.1107/S0108270188008303","","x-ray","0.71073","MoKα","","0.035","0.026","","","","0.034","","","","","","1.1","","","","has coordinates","195550","2020-10-21","18:00:00",""
"2021027","6.2199","0.0009","7.3301","0.001","11.9153","0.0016","90","","90","","90","","543.25","0.13","100","2","100","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0369","0.0345","","","0.082","0.0839","","","","","","1.065","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021028","6.2311","0.0008","7.3497","0.001","11.9462","0.0015","90","","90","","90","","547.1","0.12","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","ZrCl4","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0369","0.0334","","","0.0777","0.0801","","","","","","1.038","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021029","6.2389","0.0008","7.3667","0.001","11.9735","0.0016","90","","90","","90","","550.3","0.13","200","2","200","2","","","","","","","","2","P c a 21","P 2c -2ac","29","ZrCl4","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0421","0.0376","","","0.0909","0.0946","","","","","","1.11","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021030","6.253","0.005","7.383","0.006","12.017","0.009","90","","90","","90","","554.8","0.8","250","2","250","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0494","0.0382","","","0.0874","0.0957","","","","","","1.045","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021031","6.262","0.009","7.402","0.011","12.039","0.017","90","","90","","90","","558","1.4","300","2","300","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0763","0.0533","","","0.1219","0.1384","","","","","","1.016","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021221","23.689","0.002","7.6951","0.0007","7.3488","0.0007","90","","90","","90","","1339.6","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-Methoxy-6-[(2-methoxyphenylimino)methyl]phenol","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0593","0.037","","","0.0749","0.0841","","","","","","1.048","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021556","35.0582","0.0008","7.2554","0.0001","13.3647","0.0003","90","","90","","90","","3399.46","0.12","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Diphenyl (3,4-difluorophenyl)phosphoramidate","","- C18 H14 F2 N O3 P -","- C18 H14 F2 N O3 P -","- C144 H112 F16 N8 O24 P8 -","8","2","JX3028","Hasija, Avantika; Chopra, Deepak","Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative","Acta Crystallographica Section C","2019","75","4","451","461","10.1107/S2053229619003589","","","0.71073","MoKα","","0.0696","0.0516","","","0.1078","0.1151","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","214921","2020-10-21","18:00:00",""
"2021591","23.1862","0.001","6.4178","0.0003","13.1598","0.0006","90","","90","","90","","1958.24","0.15","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","[(<i>E</i>)-2-({[2-(Diethylamino)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>](2-phenylacetato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C21 H26 Cu N2 O3 -","- C21 H26 Cu N2 O3 -","- C84 H104 Cu4 N8 O12 -","4","1","FN3293","Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.","The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase","Acta Crystallographica Section C","2019","75","5","538","544","10.1107/S2053229619003267","","","0.71073","MoKα","","0.1145","0.0557","","","0.0951","0.1207","","","","","","1.04","","","","has coordinates,has Fobs","215664","2020-10-21","18:00:00",""
"2021676","12.006","0.002","5.2243","0.001","31.998","0.006","90","","90","","90","","2007","0.6","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,6-Bis[3-(4-bromophenyl)prop-2-yn-1-ylidene]cyclohexanone","","- C24 H16 Br2 O -","- C24 H16 Br2 O -","- C96 H64 Br8 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.1172","0.0792","","","0.2035","0.2584","","","","","","1.002","","","","has coordinates,has Fobs","216072","2020-10-21","18:00:00",""
"2021679","9.5892","0.0019","10.145","0.002","30.08","0.006","90","","90","","90","","2926.3","1","100","","100","","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-(Furan-2-ylmethylene)-6-(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","2","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.1374","0.0948","","","0.2136","0.2496","","","","","","1.011","","","","has coordinates,has Fobs","216075","2020-10-21","18:00:00",""
"2021805","20.931","0.002","3.7708","0.0005","16.0887","0.0015","90","","90","","90","","1269.8","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-one","","- C16 H9 N3 O3 -","- C16 H9 N3 O3 -","- C64 H36 N12 O12 -","4","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.0803","0.0566","","","0.1203","0.1326","","","","","","0.957","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021812","11.8376","0.00029","8.5688","0.0003","14.81837","0.00016","90","","90","","90","","1503.09","0.07","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","paracetamol formIII","<i>N</i>-(4-Hydroxyphenyl)acetamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","SK3670","Reiss, Céleste A.; van Mechelen, Jan B.; Goubitz, Kees; Peschar, René","Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data","Acta Crystallographica Section C","2018","74","3","392","399","10.1107/S2053229618002619","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.039","","4.69","","","","","","","has coordinates,has Fobs","227650","2020-10-21","18:00:00",""
"2021923","19.8403","0.0007","6.3303","0.0002","19.0314","0.0007","90","","90","","90","","2390.25","0.14","243","2","243","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1, 2 diammonium penta-chloro bismuthate [(NH3)2(CH2)3]BiCl5","","","- C3 H12 Bi Cl5 N2 -","- C3 H12 Bi Cl5 N2 -","- C24 H96 Bi8 Cl40 N16 -","8","2","RA5062","Abdel-Aal, Seham K.; Abdel-Rahman, Ahmed S.; Gamal, Wafia M.; Abdel-Kader, Mohamed; Ayoub, Hany S.; El-Sherif, Ashraf F.; Kandeel, M. F.; Bozhko, S.; Yakimov, E. E.; Yakimov, E. B.","Crystal structure, vibrational spectroscopy and optical properties of a one-dimensional organic–inorganic hybrid perovskite of [NH3CH2CH(NH3)CH2]BiCl5","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","5","880","","10.1107/S2052520619011314","","x-ray","0.71073","MoKα","","0.0315","0.0226","","","0.0393","0.0416","","","","","","1.051","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2021981","25.297","0.002","4.0469","0.0002","12.639","0.0016","90","","90","","90","","1293.9","0.2","100","1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","KU3259","Małecka, Magdalena; Checińska, Lilianna; Kusz, Joachim; Biernacka, Marta; Kupcewicz, Bogumiła","Interactions in flavanone and chalcone derivatives: Hirshfeld surface analysis, energy frameworks and global reactivity descriptors","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001503","","","0.71073","MoKα","","0.0287","0.0279","","","0.0769","0.0775","","","","","","1.05","","","","has coordinates,has Fobs","247980","2020-10-21","18:00:00",""
"2022203","28.5394","0.0014","8.0288","0.0003","9.1435","0.0004","90","","90","","90","","2095.12","0.16","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 5'-(4-methoxybenzoyl)-5'<i>H</i>,7'<i>H</i>-spiro[cyclohexane-1,6'-[1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazine]-3'-carboxylate","","- C20 H24 N4 O4 S -","- C20 H24 N4 O4 S -","- C80 H96 N16 O16 S4 -","4","1","FM3064","Obydennov, Konstantin L'vovich; Kalinina, Tatiana Andreevna; Vysokova, Olga Alexandrovna; Slepukhin, Pavel Alexandrovich; Pozdina, Varvara Alexandrovna; Ulitko, Maria Valer'evna; Glukhareva, Tatiana Vladimirovna","The different modes of chiral [1,2,3]triazolo[5,1-<i>b</i>][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009328","","","0.71073","MoKα","","0.05","0.0396","","","0.1032","0.1115","","","","","","1.001","","","","has coordinates,has Fobs","254538","2020-10-21","18:00:00",""
"2022251","25.9293","0.0007","8.8657","0.0003","14.3503","0.0005","90","","90","","90","","3298.87","0.18","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Combretastatin A-4","2-Methoxy-5-[(<i>E</i>)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","2","VP3009","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej","Two new polymorphic forms of combretastatin A-4, an antitumour agent","Acta Crystallographica Section C","2020","76","10","958","964","10.1107/S205322962001236X","","x-ray","0.71073","MoKα","","0.0517","0.0381","","","0.0857","0.0929","","","","","","1.042","","","","has coordinates,has Fobs","259025","2020-11-06","23:55:56",""
"2022295","12.2768","0.0003","4.4829","0.0001","19.6694","0.0004","90","","90","","90","","1082.52","0.04","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Bromo-2-((phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","YD3009","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism","Acta Crystallographica Section C","2020","76","11","1001","1004","10.1107/S2053229620011560","","","0.71073","MoKα","","0.0236","0.0219","","","0.0518","0.0529","","","","","","1.054","","","","has coordinates,has Fobs","259635","2020-12-07","01:01:12",""
"2022593","13.6888","0.0008","11.037","0.0006","9.6269","0.0005","90","","90","","90","","1454.46","0.14","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2,7-Dihydroxynaphthalene–piracetam (1/1)","Naphthalene-2,7-diol; 2-(2-oxopyrrolidin-1-yl)acetamide","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","KY3216","González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor","Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003734","","","0.71073","MoKα","","0.0443","0.0358","","","0.0756","0.0816","","","","","","1.07","","","","has coordinates","274468","2022-04-12","02:17:59",""
"2022624","23.7648","0.0005","8.5785","0.0002","6.9373","0.0002","90","","90","","90","","1414.28","0.06","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Carboxy-2-(pyrazin-2-yl)quinolin-1-ium chloride dihydrate","","- C14 H14 Cl N3 O4 -","- C14 H14 Cl N3 O4 -","- C56 H56 Cl4 N12 O16 -","4","1","DG3031","Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek","A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005812","","","1.5418","CuKα","","0.0297","0.0266","","","0.0615","0.0639","","","","","","1.044","","","","has coordinates,has Fobs","276307","2022-06-28","01:48:48",""
"2022643","16.451","0.0012","4.4314","0.0003","20.0523","0.0015","90","","90","","90","","1461.83","0.18","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","4-Bromo-2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","","- C14 H9 Br Cl2 N2 O -","- C14 H9 Br Cl2 N2 O -","- C56 H36 Br4 Cl8 N8 O4 -","4","1","HB7915","Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","6","862","","10.1107/S2056989020006416","","","0.71073","MoKα","","0.0917","0.0378","","","0.0662","0.0824","","","","","","0.995","","","","has coordinates,has Fobs","276710","2022-07-06","22:39:18",""
"2022707","7.1195","0.0002","16.4402","0.0005","9.7821","0.0003","90","","90","","90","","1144.96","0.06","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>rac</i>-5-(1,2-Dibromo-2-phenylethyl)-1,3,4-oxathiazol-2-one","","- C10 H7 Br2 N O2 S -","- C10 H7 Br2 N O2 S -","- C40 H28 Br8 N4 O8 S4 -","4","1","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0172","0.0157","","","0.0356","0.036","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","283574","2023-05-06","10:43:49",""
"2022776","9.1548","0.0005","9.7791","0.0005","15.6336","0.0009","90","","90","","90","","1399.61","0.13","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Methoxynaphthalen-1-yl)-1<i>H</i>-benzo[<i>d</i>]imidazole","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","WV3012","Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen","Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis","Acta Crystallographica Section C Structural Chemistry","2023","79","7","292","304","10.1107/S2053229623005545","","","0.71073","MoKα","","0.041","0.0357","","","0.0871","0.0896","","","","","","1.071","","","","has coordinates,has Fobs","284684","2023-06-29","15:26:29",""
"2022784","16.7473","0.0003","12.1998","0.0002","20.9668","0.0004","90","","90","","90","","4283.8","0.13","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tris(2,6-dimethylphenyl isocyanide)(η^4^-tetraphenylcyclopentadienone)iron","","- C56 H47 Fe N3 O -","- C56 H47 Fe N3 O -","- C224 H188 Fe4 N12 O4 -","4","1","MW2197","Bütikofer, André; Chen, Peter","Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S205698902300498X","","x-ray","1.54184","CuKα","","0.0514","0.0422","","","0.1041","0.1093","","","","","","1.048","","","","has coordinates,has Fobs","284691","2023-06-29","15:44:42",""
"2022852","12.7698","0.0016","14.9212","0.0018","7.1087","0.0008","90","","90","","90","","1354.5","0.3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 2-(2-oxo-2<i>H</i>-chromen-4-yl)benzoate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","MW2198","Hollauer, Henrique V. P.; Vilas Novas, Rachel C.; Guedes, Guilherme P.; Buarque, Camilla D.; Escobar, Lívia B. L.","Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","842","846","10.1107/S2056989023007351","","","0.71073","MoKα","","0.0741","0.0658","","","0.1539","0.1584","","","","","","1.079","","","","has coordinates,has Fobs","285927","2023-08-31","02:03:11",""
"2022936","11.9879","0.0007","12.1807","0.0007","15.4518","0.0009","90","","90","","90","","2256.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Isobutyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C96 H116 F8 N4 O16 -","4","1","EV2001","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Synthesis, characterization, crystal structure and Hirshfeld surface analysis of isobutyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1132","1136","10.1107/S2056989023009623","","","0.71073","MoKα","","0.0838","0.0453","","","0.0947","0.1074","","","","","","1.027","","","","has coordinates,has Fobs","288939","2024-01-07","11:49:57",""
"2022989","10.4504","0.0014","13.717","0.0016","13.4157","0.0014","90","","90","","90","","1923.1","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Morpholinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 O P -","- C5 H11 F6 N2 O P -","- C40 H88 F48 N16 O8 P8 -","8","2","","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","0.71073","MoKα","","0.0537","0.0322","","","0.0769","0.0881","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","289689","2024-02-05","12:06:58",""
"2023006","23.612","0.003","7.2392","0.0008","7.2122","0.0007","90","","90","","90","","1232.8","0.2","150","2","150","2","","","","","","","organic","5","P c a 21","P 2c -2ac","29","","1-[(<i>E</i>)-2-(2-Fluorophenyl)diazan-1-ylidene]naphthalen-2(1<i>H</i>)-one","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","EE2002","Akkache, Hibet Errahmane Meroua; Hamdouni, Noudjoud; Boudjada, Ali; Medjroubi, Mohamed Larbi; Mili, Assia; Jeannin, Olivier","Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[(<i>E</i>)-2-(2-fluoro-phen-yl)diazan-1-yl-idene]naphthalen-2(1<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","137","142","10.1107/S2056989024000227","","x-ray","0.71073","MoKα","","0.0458","0.0442","","","0.1083","0.1094","","","","","","1.081","","","","has coordinates,has Fobs","290334","2024-03-05","20:43:36",""
"2023073","22.8042","0.0011","4.7826","0.0002","11.7421","0.0006","90","","90","","90","","1280.63","0.1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate","","- C13 H13 Cl N2 O3 -","- C13 H13 Cl N2 O3 -","- C52 H52 Cl4 N8 O12 -","4","1","VM2299","Mustaphi, Nour El Hoda; Aboutofil, Fatima Ezzahra; El Houssni, Lamyae; Saif, Eiad; Mague, Joel T.; Chkirate, Karim; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","430","434","10.1107/S2056989024002664","","","1.54178","CuKα","","0.0579","0.0575","","","0.1593","0.1598","","","","","","1.086","","","","has coordinates","291727","2024-05-06","04:21:42",""
"2023081","7.1686","0.0005","4.8491","0.0003","19.1276","0.0014","90","","90","","90","","664.9","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Hydroxypentanehydrazide","","- C5 H12 N2 O2 -","- C5 H12 N2 O2 -","- C20 H48 N8 O8 -","4","1","VM2296","Justen, Guilherme Augusto; Carneiro Neto, José Severiano; Sousa Santana, Francielli; Leiriane Batistel Ribas, Maria; Gomes da Silva de Paula, Felipe; Dario, Priscila Paola; Gonçalves Montes D'Oca, Marcelo","Crystal structure and Hirshfeld surface analysis of 5-hydroxypentanehydrazide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002871","","","0.71073","MoKα","","0.023","0.022","","","0.0583","0.0587","","","","","","1.083","","","","has coordinates","291157","2024-04-10","02:02:42",""
"2100615","17.602","0.001","6.8423","0.0002","21.662","0.001","90","","90","","90","","2609","0.2","295","","295","","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2Z)-1-(2-hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione enol","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","DE5027","V. Bertolasi; L. Pretto; G. Gilli; P. Gilli","π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)","Acta Crystallographica, Section B","2006","62","4","850","863","10.1107/S0108768106020933","","","0.7107","MoKα","","0.1214","0.0519","","","0.104","0.1283","","","","","","1","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101192","7.325","0.001","14.781","0.001","15.535","0.001","90","","90","","90","","1682","0.3","","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","BR0027","Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.","Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate","Acta Crystallographica Section B","1994","50","5","597","600","10.1107/S0108768194002594","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101203","18.324","0.002","5.771","0.001","20.016","0.002","90","","90","","90","","2116.6","0.5","","","","","","","","","","","","5","P c a 21","P 2c -2ac","","","","","- C10 H8 Cl N3 O2 -","- C10 H8 Cl N3 O2 -","- C80 H64 Cl8 N24 O16 -","8","2","NA0053","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intramolecular N‒H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives","Acta Crystallographica Section B","1994","50","5","617","625","10.1107/S0108768194003034","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102116","9.8588","0.0005","4.8125","0.0003","25.0546","0.0013","90","","90","","90","","1188.73","0.11","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","DL-Allylglycine","DL-2-amino-4-pentenoic acid","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C40 H72 N8 O16 -","8","2","OS0044","Dalhus, Bjørn; Görbitz, Carl Henrik","Non-centrosymmetric racemates: space-group frequencies and conformational similarities between crystallographically independent molecules","Acta Crystallographica Section B","2000","56","4","715","719","10.1107/S0108768100002172","","","0.71073","MoKα","","0.0533","0.044","","","","0.1107","","","","","","1.054","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102786","13.3229","0.0003","7.0005","0.0001","9.3471","0.0002","90","","90","","90","","871.78","0.03","90","1","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H3 N5 O6 -","- C6 H3 N5 O6 -","- C24 H12 N20 O24 -","4","1","BS5038","Chen, Yu-Sheng; Stash, Adam I.; Pinkerton, A. Alan","Chemical bonding and intermolecular interactions in energetic materials: 1,3,4-trinitro-7,8-diazapentalene","Acta Crystallographica, Section B: Structural Science","2007","63","2","309","318","10.1107/S010876810700242X","","","0.56083","AgKα","","","0.0256","","","","0.0229","","","","","","1.4356","","","","has coordinates,has Fobs","208984","2020-10-21","18:00:00",""
"2102927","12.6516","0.0008","4.0373","0.0003","16.3456","0.0011","90","","90","","90","","834.9","0.16","","","200","","","","","","","","","3","P c a 21","P 2c -2ac","29","tetrabromothiophene","","","- C4 Br4 S -","- C4 Br4 S -","- C16 Br16 S4 -","4","1","AV5088","Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René","Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing","Acta Crystallographica Section B","2007","63","5","783","790","10.1107/S010876810703652X","","","1.25011","","","","","","","","","","","2.48","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102928","12.6511","0.0008","4.0371","0.0003","16.3449","0.0011","90","","90","","90","","834.79","0.16","","","200","","","","","","","","","3","P c a 21","P 2c -2ac","29","tetrabromothiophene","","","- C4 Br4 S -","- C4 Br4 S -","- C16 Br16 S4 -","4","1","AV5088","Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René","Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing","Acta Crystallographica Section B","2007","63","5","783","790","10.1107/S010876810703652X","","","1.25011","","","","","","","","","","","2.43","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102929","12.6482","0.0009","4.0362","0.0003","16.3411","0.0011","90","","90","","90","","834.22","0.17","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C4 Br4 S -","- C4 Br4 S -","- C16 Br16 S4 -","4","1","AV5088","Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René","Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing","Acta Crystallographica Section B","2007","63","5","783","790","10.1107/S010876810703652X","","","1.25011","","","","","","","","","","","2.51","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102932","12.643","0.01","4.034","0.003","16.35","0.012","90","","90","","90","","833.8","1.9","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C4 Br4 S -","- C4 Br4 S -","- C16 Br16 S4 -","4","1","AV5088","Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René","Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing","Acta Crystallographica Section B","2007","63","5","783","790","10.1107/S010876810703652X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102933","12.5599","0.0012","3.9973","0.0004","16.3267","0.0015","90","","90","","90","","819.69","0.14","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C4 Br4 S -","- C4 Br4 S -","- C16 Br16 S4 -","4","1","AV5088","Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René","Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing","Acta Crystallographica Section B","2007","63","5","783","790","10.1107/S010876810703652X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103047","14.9203","0.0016","11.6841","0.0013","5.8727","0.0007","90","","90","","90","","1023.8","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H8 Br F O -","- C12 H8 Br F O -","- C48 H32 Br4 F4 O4 -","4","1","BK5067","Klösener, J.; Swenson, D. C.; Robertson, L. W.; Luthe, G.","Effects of fluoro substitution on 4-bromodiphenyl ether (PBDE 3)","Acta Crystallographica Section B","2008","64","1","108","119","10.1107/S0108768107067079","","","0.71073","MoKα","","0.0316","0.0287","","","0.0748","0.0765","","","","","","1.122","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103674","18.873","0.002","6.5212","0.0009","4.998","0.0007","90","","90","","90","","615.13","0.14","110","2","110","2","","","","","","","","4","P c a 21","P 2c -2ac","29","meta-nitroaniline","3-nitro-phenylamine","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","NS0004","Wójcik, Grażyna; Holband, Jolanta","Variable-temperature crystal structure studies of <i>m</i>-nitroaniline","Acta Crystallographica Section B","2001","57","3","346","352","10.1107/S010876810100489X","","","0.71073","MoKα","","0.0413","0.0397","","","","0.108","","","","","","1.101","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103677","9.991","0.005","8.531","0.006","14.359","0.005","90","","90","","90","","1223.9","1.1","295","","295","","","","","","","","","5","P c a 21","P 2c -2ac","29","dinitratotripyrimidinecopper(II)","catena-dinitrato-[m-pyrimidine-N1:N3]-(pyrimidine-N1)-copper(II)","","- C8 H8 Cu N6 O6 -","- C8 H8 Cu N6 O6 -","- C32 H32 Cu4 N24 O24 -","4","1","OA0034","Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions","Acta Crystallographica Section B","2001","57","3","288","295","10.1107/S0108768101002737","","","0.71073","MoKα","","0.0303","0.0286","","","","0.0782","","","","","","1.038","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103678","10","0.002","8.4519","0.0002","14.187","0.002","90","","90","","90","","1199.1","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-dinitrato-[m-pyrimidine-N1:N3]-(pyrimidine-N1)-copper(II)","","- C8 H8 Cu N6 O6 -","- C8 H8 Cu N6 O6 -","- C32 H32 Cu4 N24 O24 -","4","1","OA0034","Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions","Acta Crystallographica Section B","2001","57","3","288","295","10.1107/S0108768101002737","","","0.71073","MoKα","","0.0835","0.0384","","","","0.0339","","","","","","1.236","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103708","9.879","0.002","8.41","0.002","8.25","0.002","90","","90","","90","","685.4","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","trans(1S*,2S*)-2-hydroxy-1-cyclopentanecarboxamide","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","DE0011","Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc","Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives","Acta Crystallographica Section B","2001","57","4","539","550","10.1107/S0108768101006723","","","1.54178","CuKα","","0.0479","0.034","","","","0.1133","","","","","","0.86","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103804","20.3011","0.0017","6.7692","0.0005","8.0158","0.0006","90","","90","","90","","1101.55","0.15","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,4-Diazabicyclo[2.2.2]octane‒phosphonoacetic acid (1/1)","","- C8 H17 N2 O5 P -","- C8 H17 N2 O5 P -","- C32 H68 N8 O20 P4 -","4","1","BM0057","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Zakaria, Choudhury M.; Glidewell, Christopher","Phosphonoacetic acid as a building block in supramolecular chemistry: salts with organic polyamines","Acta Crystallographica Section B","2003","59","1","87","99","10.1107/S010876810201858X","","","0.71073","MoKα","","0.0834","0.055","","","0.1239","0.1409","","","","","","1.024","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103842","23.9702","0.0006","3.7416","0.0001","14.8372","0.0004","90","","90","","90","","1330.7","0.06","150","1","150","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,2'-Bipyridyl‒fumaric acid (1/1)","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","NA0143","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Salts of maleic and fumaric acids with organic polyamines: comparison of isomeric acids as building blocks in supramolecular chemistry","Acta Crystallographica Section B","2003","59","1","100","117","10.1107/S0108768102020219","","","0.71073","MoKα","","0.0395","0.0322","","","0.0774","0.0823","","","","","","1.033","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103864","20.2229","0.0017","8.6162","0.0006","11.8812","0.0009","90","","90","","90","","2070.2","0.3","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,6-Dimethylpiperazine‒phosphonopropionic acid‒methanol (1/2/0.34)","","- C12.34 H28 N2 O10.34 P2 -","- C12.337 H29.348 N2 O10.337 P2 -","- C49.348 H117.392 N8 O41.348 P8 -","4","1","BM0061","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines","Acta Crystallographica Section B","2003","59","2","248","262","10.1107/S0108768102021237","","","0.71073","MoKα","","0.0892","0.0639","","","0.1535","0.1684","","","","","","1.027","","","","has coordinates,has Fobs","194546","2020-10-21","18:00:00",""
"2104100","23.3058","0.0011","5.577","0.0002","8.2847","0.0004","90","","90","","90","","1076.82","0.08","120","2","","","","","","","","","","4","P c a 21","P 2c -2ac","29","4-Chloro-4'-hydroxybenzophenone","","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","WS5060","Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla","Conformations of substituted benzophenones","Acta Crystallographica Section B","2008","64","2","206","216","10.1107/S0108768108000232","","","0.71073","MoKα","","","0.0381","","","","0.085","","","","","","1.04","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105079","11.302","0.0003","11.8371","0.0003","7.6218","0.0002","90","","90","","90","","1019.67","0.05","294","1","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Fmm","3-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.047","0.033","","","0.0799","0.0836","","","","","","1.024","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105310","26.2908","0.0011","7.1684","0.0003","7.7782","0.0003","90","","90","","90","","1465.9","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","(acetylacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) tetrafluoroborate","","- C13 H19 B F4 O2 Pd -","- C13 H19 B F4 O2 Pd -","- C52 H76 B4 F16 O8 Pd4 -","4","1","EB5019","Hill, Tania N.; Roodt, Andreas; Steyl, Gideon","Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters","Acta Crystallographica Section B","2013","69","1","36","42","10.1107/S0108768112046733","","","0.71073","MoKα","","0.0238","0.0221","","","0.0603","0.0618","","","","","","0.927","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105457","23.047","0.008","4.8246","0.0015","12.075","0.004","90","","90","","90","","1342.7","0.8","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-oxo-N-(3-bromophenyl)-4H-chromene-2-carboxamide","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C64 H40 Br4 N4 O12 -","4","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0234","0.0228","","","0.0622","0.0625","","","","","","1.046","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105632","30.565","0.009","5.993","0.002","22.032","0.005","90","","90","","90","","4036","2","297","","297","","","","","","","","","4","P c a 21","P 2c -2ac","29","PhO-Ph-TEMPO","4-(4-phenoxyphenylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C22 H27 N2 O2 -","- C22 H27 N2 O2 -","- C176 H216 N16 O16 -","8","2","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.155","0.0588","","","","0.1242","","","","","","0.966","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105774","17.4543","0.0019","7.8087","0.0006","14.9761","0.0018","90","","90","","90","","2041.2","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H11 Eu O8 -","- C7 H11 Eu O8 -","- C56 H88 Eu8 O64 -","8","2","BI5013","Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina","Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology","Acta Crystallographica Section B","2014","70","1","19","27","10.1107/S2052520613034550","","","0.7107","MoKα","","0.0664","0.0634","","","0.1621","0.1666","","","","","","1.139","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105948","13.5307","0.0003","7.0913","0.0007","49.11","0.002","90","","90","","90","","4712.1","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","3b","","","- C20 H22 Cd I2 N2 O4 -","- C20 H22 Cd I2 N2 O4 -","- C160 H176 Cd8 I16 N16 O32 -","8","2","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.0491","0.0377","","","0.0708","0.0756","","","","","","1.094","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106020","11.153","0.002","7.7691","0.0014","15.408","0.003","90","","90","","90","","1335.1","0.4","273","","293","","","","","","","","","7","P c a 21","P 2c -2ac","29","","MoZTS","","- C3 H12 Mo0.2 N6 O4 S4 Zn0.75 -","- C3 H12 Mo0.2 N6 O4 S4 Zn0.75 -","- C12 H48 Mo0.8 N24 O16 S16 Zn3 -","4","1","AO5002","Rajasekar, M.; Muthu, K.; Aditya Prasad, A.; Agilandeshwari, R.; Meenakshisundaram, SP","Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals","Acta Crystallographica Section B","2015","71","3","","","10.1107/S2052520615005922","","","0.71073","MoKα","","0.035","0.0321","","","0.0777","0.0803","","","","","","1.041","","","","has coordinates,has Fobs","209313","2020-10-21","18:00:00",""
"2106472","5.487","","16.226","","5.506","","90","","90","","90","","490.211","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Bi2 (Mo O6)","","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi8 Mo4 O24 -","4","1","","van den Elzen, A.F.; Rieck, G.D.","Redetermination of the structure of Bi2 Mo O6, koechlinite","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2436","2438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106818","10.239","","7.018","","7.933","","90","","90","","90","","570.044","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Te2 H P O7","","- H O7 P Te2 -","- O7 P Te2 -","- O28 P4 Te8 -","4","1","","Alcock, N.W.; Harrison, W.D.","Refinement of the Structure of Tellurium Phosphate Te2 O3 H P O4","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1809","1811","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106920","6.015","","6.072","","5.992","","90","","90","","90","","218.846","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Pt Ge Se","","- Ge Pt Se -","- Ge Pt Se -","- Ge4 Pt4 Se4 -","4","1","","Entner, P.; Parthe, E.","Pt Ge Se with cobaltite structure, a ternary variant of the pyrite structure","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1557","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107029","19.471","","7.631","","8.609","","90","","90","","90","","1279.15","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Ba (Fe (C N)5 (N O)) (H2 O)2","","- C5 H4 Ba Fe N6 O3 -","- C5 Ba Fe N6 O3 -","- C20 Ba4 Fe4 N24 O12 -","4","1","","Lanfranconi, A.H.; Alvarez, A.G.; Castellano, E.E.","The crystal and molecular structure of barium nitroprusside dihydrate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1733","1734","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107400","15.1","","6.594","","8.611","","90","","90","","90","","857.392","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","K2 H (I O3)2 Cl","","- Cl H I2 K2 O6 -","- Cl I2 K2 O6 -","- Cl4 I8 K8 O24 -","4","1","","Lanfredi, A.M.M.; Pellinghelli, M.A.; Tiripicchio, A.","The crystal structure of dipotassium hydrogen diiodate(V) chloride","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1822","1826","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107426","11.032","","7.083","","11.166","","90","","90","","90","","872.507","","","","","","","","","","","","","7","P c a 21","P 2c -2ac","29","","(N H2 C S N H2) Cl3 Re O (H2 O)","","- C H6 Cl3 N2 O2 Re S -","- C Cl3 N2 O2 Re S -","- C4 Cl12 N8 O8 Re4 S4 -","4","1","","Lis, T.","trans-(Oxoaqua)trichlorothiourearhenium(V), Re O (H2 O) Cl3 Tu","Acta Crystallographica B (24,1968-38,1982)","1977","33","","944","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108252","5.4345","0.0012","16.4324","0.0012","5.4558","0.0012","90","","90","","90","","487.21","0.16","296","","296","","","","","","","","Synthetic","3","P c a 21","P 2c -2ac","29","Bismuth tungstate","","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","1","","Okudera, Hiroki; Sakai, Yuka; Yamagata, Kentaro; Takeda, Hiroaki","Structure of russellite (Bi~2~WO~6~): origin of ferroelectricity and the effect of the stereoactive lone electron pair on the structure","Acta Crystallographica Section B","2018","74","3","295","303","10.1107/S2052520618006133","powder diffraction","","0.71069","Mo-Kα","","","0.0168","","","","0.0204","","","","","","0.5164","","","","has coordinates,has Fobs","208047","2020-10-21","18:00:00",""
"2108304","7.7658","0.0006","19.1333","0.0013","8.8369","0.0005","90","","90","","90","","1313.03","0.15","104","2","104","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0557","0.042","","","0.091","0.0962","","","","","","1.038","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108312","7.8062","0.0003","19.3","0.0007","8.8433","0.0003","90","","90","","90","","1332.33","0.08","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0231","0.0221","","","0.056","0.0566","","","","","","1.044","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108319","7.9499","0.0004","19.6384","0.001","8.8397","0.0004","90","","90","","90","","1380.08","0.12","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0195","0.0172","","","0.0367","0.0372","","","","","","1.087","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108364","7.394","0.009","10.953","0.013","29.06","0.03","90","","90","","90","","2353","5","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C136 H80 N16 -","8","2","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.1344","0.0975","","","0.2419","0.2756","","","","","","1.034","","","","has coordinates,has Fobs","213457","2020-10-21","18:00:00",""
"2108420","14.8764","0.0009","8.9742","0.0004","26.8271","0.0009","90","","90","","90","","3581.5","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H16 Cl2 Co N4 -","- C18 H16 Cl2 Co N4 -","- C144 H128 Cl16 Co8 N32 -","8","2","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.0291","0.0272","","","0.066","0.0677","","","","","","1.051","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108632","16.559","0.002","17.595","0.002","6.1048","0.0009","90","","90","","90","","1778.7","0.4","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0496","0.0438","","","","0.1058","","","","","","1.073","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2108721","54.285","0.005","5.5843","0.0003","14.8411","0.001","90","","90","","90","","4499","0.6","90","1","90","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H34 O2 S -","- C25 H34 O2 S -","- C200 H272 O16 S8 -","8","2","DK5101","Deptuch, Aleksandra; Jaworska-Gołab, Teresa; Kusz, Joachim; Ksiażek, Maria; Nagao, Keigo; Matsumoto, Takashi; Yamano, Akihito; Ossowska-Chruściel, Mirosława D.; Chruściel, Janusz; Marzec, Monika","Single crystal X-ray structure determination and temperature-dependent structural studies of the smectogenic compound 7OS5","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620014481","","","1.54178","CuKα","","0.1542","0.115","","","0.2656","0.2987","","","","","","1.052","","","","has coordinates,has Fobs","259227","2020-11-24","05:12:01",""
"2108893","13.6648","0.0004","11.9321","0.0003","12.9678","0.0004","90","","90","","90","","2114.4","0.1","100","2","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","2","","Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis","Acta Crystallographica Section B","2021","77","6","1035","1047","10.1107/S2052520621009124","","","0.71073","MoKα","","0.0461","0.0461","","","0.0791","0.064","","","","","","1.08","","","","has coordinates,has Fobs","271662","2022-01-01","04:12:14",""
"2108894","13.6648","0.0004","11.9321","0.0003","12.9678","0.0004","90","","90","","90","","2114.4","0.1","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","2","","Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis","Acta Crystallographica Section B","2021","77","6","1035","1047","10.1107/S2052520621009124","","","0.71073","MoKα","","0.0344","0.0344","","","0.0383","0.046","","","","","","1.009","","","","has coordinates","271662","2022-01-01","04:12:15",""
"2108895","13.6648","0.0004","11.9321","0.0003","12.9678","0.0004","90","","90","","90","","2114.4","0.1","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","2","","Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis","Acta Crystallographica Section B","2021","77","6","1035","1047","10.1107/S2052520621009124","","","0.71073","MoKα","","0.0624","0.0409","","","0.0968","0.108","","","","","","1.038","","","","has coordinates","271662","2022-01-01","04:12:15",""
"2108896","13.6648","0.0004","11.9321","0.0003","12.9678","0.0004","90","","90","","90","","2114.4","0.1","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","2","","Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis","Acta Crystallographica Section B","2021","77","6","1035","1047","10.1107/S2052520621009124","","","0.71073","MoKα","","0.0045","0.0045","","","0.0045","0.0046","","","","","","0.088","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:45",""
"2108936","35.0174","0.0017","7.3265","0.0003","12.927","0.0005","90","","90","","90","","3316.5","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H15 F N O3 P -","- C18 H15 F N O3 P -","- C144 H120 F8 N8 O24 P8 -","8","2","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.1147","0.0638","","","0.1316","0.1569","","","","","","0.972","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:16",""
"2200045","16.397","0.003","10.819","0.002","7.6737","0.0015","90","","90","","90","","1361.3","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","8-(Isoindol-1,3-dione-2-yl)aminoquinoline","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","1","NA6002","Lynch, Daniel E.; McClenaghan, Ian","<i>N</i>-(8-Quinolylamino)phthalimide","Acta Crystallographica Section E","2001","57","1","o16","o17","10.1107/S1600536800018109","","","0.71073","MoKα","","0.066","0.048","","","","0.099","","","","","","1.184","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200096","19.141","0.004","3.8417","0.0004","11.564","0.002","90","","90","","90","","850.3","0.2","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","4,7-phenanthroline","4,7-phenanthroline","","- C12 H8 N2 -","- C12 H8 N2 -","- C48 H32 N8 -","4","1","BT6004","Bond, Andrew D.; Shan, Ning; Jones, William","4,7-Phenanthroline","Acta Crystallographica Section E","2001","57","2","o145","o146","10.1107/S1600536801000812","","","0.71073","MoKα","","0.093","0.063","","","","0.161","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200237","27.307","0.002","4.6228","0.0004","12.5888","0.0011","90","","90","","90","","1589.1","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-methylethyl 2-bromo-4-(N-phthalimido)butanoate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C60 H64 Br4 N4 O16 -","4","1","WN6007","Skakle, Janet M. S.; Smyth, Gregory; Wardell, Solange M. S. V.","Isopropyl 2-bromo-4-(<i>N</i>-phthalimido)butanoate","Acta Crystallographica Section E","2001","57","4","o300","o302","10.1107/S1600536801003816","","","0.71073","MoKα","","0.1485","0.0735","","","","0.196","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200418","7.0265","0.0004","18.9749","0.001","7.1157","0.0004","90","","90","","90","","948.72","0.09","100","1","100","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","Potassium (E)-2-Phenyl-1-ethenyltrifluoroborate","","- C8 H7 B F3 K -","- C8 H7 B F3 K -","- C32 H28 B4 F12 K4 -","4","1","CF6083","Thadani, Avinash N.; Batey, Robert A.; Smil, David V.; Lough, Alan J.","Potassium trifluoro[(<i>E</i>)-2-phenyl-1-ethenyl]borate","Acta Crystallographica Section E","2001","57","8","m333","m334","10.1107/S1600536801010169","","","0.71073","MoKα","","0.0291","0.0259","","","","0.0667","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200664","22.9292","0.0006","9.5033","0.0003","7.5152","0.0002","90","","90","","90","","1637.59","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","p-Methoxybenzaldehyde-9-fluorenylidenehydrazone","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","CV6063","Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman; Wen Ma; Yu Peng Tian; Sheng Yi Zhang; Wu Jie Ying; Fu Xin Xie","<i>p</i>-Methoxybenzaldehyde 9-fluorenylidenehydrazone","Acta Crystallographica Section E","2001","57","11","o1043","o1044","10.1107/S1600536801016555","","","0.71073","MoKα","","0.116","0.0524","","","","0.1245","","","","","","0.94","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200736","16.1497","0.0014","8.6805","0.0007","35.047","0.003","90","","90","","90","","4913.2","0.7","203","2","203","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(acenaphtylenide)2Ca.2THF","rac-[bis(3,3'-biacenaphthylenido)]bis(tetrahydrofuran-O)calcium","","- C32 H32 Ca O2 -","- C32 H32 Ca O2 -","- C256 H256 Ca8 O16 -","8","2","OM6048","Sinnema, Piet-Jan; Twamley, Brendan; Shapiro, Pamela J.","ansa-Calcocenes: <i>rac</i>-[bis(3,3'-biacenaphthylenido)]bis(tetrahydrofuran)calcium","Acta Crystallographica Section E","2001","57","10","m438","m440","10.1107/S1600536801014751","","","0.71073","MoKα","","0.091","0.054","","","","0.128","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200962","13.3725","0.0004","9.7045","0.0003","8.92","0.0002","90","","90","","90","","1157.58","0.06","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","(E)-2-Styryl-[1,3,6,2]dioxazaborolane","","- C12 H16 B N O2 -","- C12 H16 B N O2 -","- C48 H64 B4 N4 O8 -","4","1","OM6074","Thadani, Avinash N.; Batey, Robert A.; Lough, Alan J.; Smil, David V.","(<i>E</i>)-2-Styryl-[1,3,6,2]dioxazaborolane","Acta Crystallographica Section E","2002","58","3","o238","o239","10.1107/S1600536802001691","","","0.71073","MoKα","","0.034","0.0302","","","0.0777","0.0798","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201177","9.6912","0.0016","13.389","0.002","7.1699","0.0012","90","","90","","90","","930.3","0.3","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(3-Methyl-1,2-butadienyl)-2-oxo-1,3,2-oxazaphosphorinane","","- C8 H14 N O2 P -","- C8 H14 N O2 P -","- C32 H56 N4 O8 P4 -","4","1","OM6083","Angelov, Christo M.; Mazzuca, Dean A.; van den Heever, Johan P.; McDonald, Robert; McEwen, Alexander J. B.; Mercer, John R.; 2-(3-Methyl-1,2-butadienyl)-2-oxo-1,3,2-oxazaphosphorinane","2-(3-Methyl-1,2-butadienyl)-2-oxo-1,3,2-oxazaphosphorinane","Acta Crystallographica Section E","2002","58","4","o399","o401","10.1107/S1600536802004105","","","0.71073","MoKα","","0.0534","0.0412","","","0.0874","0.0919","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201399","12.3964","0.0017","4.961","0.004","21.33","0.004","90","","90","","90","","1311.8","1.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(1H-indol-3-ylmethylene)indane-1-one","","- C18 H13 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","1","CI6162","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Mohane Coumar, S.; Jindal, D. P.","2-(1<i>H</i>-Indol-3-ylmethylene)indane-1-one","Acta Crystallographica Section E","2002","58","11","o1222","o1223","10.1107/S1600536802017774","","","0.71073","MoKα","","0.0913","0.0431","","","0.0738","0.0987","","","","","","1.185","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201445","9.224","0.0008","15.2406","0.0009","9.2898","0.0008","90","","90","","90","","1305.95","0.18","213","2","213","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","10-Acetonyl-10-hydroxyphenanthren-9(10H)-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","CV6132","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","10-Acetonyl-10-hydroxyphenanthren-9(10<i>H</i>)-one","Acta Crystallographica Section E","2002","58","8","o956","o958","10.1107/S160053680201351X","","","0.71073","MoKα","","0.07","0.0551","","","0.1108","0.1168","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201804","22.5838","0.0005","3.7273","0.0001","13.2912","0.0005","90","","90","","90","","1118.81","0.06","140","2","140","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Quinolinium Fumarate","Quinolinium Fumarate","","- C13 H11 N O4 -","- C13 H11 N O4 -","- C52 H44 N4 O16 -","4","1","BT6244","Shan, Ning; Batchelor, Elaine; Jones, William","Quinolinium fumarate","Acta Crystallographica Section E","2003","59","4","o397","o398","10.1107/S1600536803004446","","","0.71073","MoKα","","0.0392","0.0341","","","0.0822","0.0851","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201832","21.208","0.004","11.678","0.002","13.974","0.003","90","","90","","90","","3460.9","1.2","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Dicyclohexylammonium benzenethiolate","","- C18 H29 N S -","- C18 H29 N S -","- C144 H232 N8 S8 -","8","2","BT6273","Katarzyna Baranowska; Jaroslaw Chojnacki; Barbara Becker; Wieslaw Wojnowski","Dicyclohexylammonium benzenethiolate","Acta Crystallographica Section E","2003","59","6","o765","o766","10.1107/S1600536803009255","","","0.71073","MoKα","","0.1319","0.039","","","0.0976","0.1439","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201982","22.775","0.004","5.381","0.001","10.587","0.002","90","","90","","90","","1297.5","0.4","293","2","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C64 H56 N8 S4 -","4","1","FL6017","Luck, Rudy L.; Li, Kexue; Bates, Dallas K.","6-Methyl-11<i>a</i>,12-dihydro-6<i>H</i>-quino[3,2-<i>b</i>][1,4]benzothiazine: an amidine formed under unusual conditions","Acta Crystallographica Section E","2003","59","3","o302","o303","10.1107/S1600536803002988","","","0.71073","MoKα","","","0.041","","","","0.099","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202126","12.8014","0.0009","10.4027","0.0008","28.503","0.0019","90","","90","","90","","3795.7","0.5","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","3-(Anthracen-9-ylmethylene)-2,4-dimethyl-3H-benzo[1,5]diazepine","","- C26 H20 N2 -","- C26 H20 N2 -","- C208 H160 N16 -","8","2","OB6229","Megzari, Ahmed; El Bali, Brahim; Janati, Tajdine; Kerbal, Abdelali; Benlarbi, Najib; Benhadda, Taibi; Mimouni, Mustapha; Bolte, Michael","3-(Anthracen-9-ylmethylene)-2,4-dimethyl-3<i>H</i>-benzo[1,5]diazepine","Acta Crystallographica Section E","2003","59","5","o606","o607","10.1107/S1600536803007207","","","0.71073","MoKα","","0.067","0.0505","","","0.1185","0.1232","","","","","","0.941","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202253","7.6712","0.0015","5.6251","0.0011","32.773","0.007","90","","90","","90","","1414.2","0.5","105","2","105","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-phenyl-5-(3-indolyl)-pent-4-ene-1,3-dione","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","YA6151","Arrieta, Antonio F.; Mostad, Arvid","5-(1<i>H</i>-Indol-3-yl)-1-phenylpent-4-ene-1,3-dione","Acta Crystallographica Section E","2003","59","4","o524","o526","10.1107/S1600536803003192","","","0.71073","MoKα","","0.052","0.037","","","0.081","0.097","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202402","11.749","0.001","7.498","0.002","21.028","0.003","90","","90","","90","","1852.4","0.6","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N,N'-bis(2-pyridylmethyl)pyromellitic diimide","","- C22 H14 N4 O4 -","- C22 H14 N4 O4 -","- C88 H56 N16 O16 -","4","1","BT6373","Lü, Xingqiang; Zhang, Li; Chen, Chunlong; Su, Chengyong; Kang, Beisheng; Ng, Seik Weng","<i>N,N</i>'-Bis(2-pyridylmethyl)pyromellitic diimide","Acta Crystallographica Section E","2003","59","12","o1891","o1893","10.1107/S1600536803024930","","","0.71073","MoKα","","0.05","0.033","","","0.08","0.091","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202496","27.73","0.002","4.7374","0.0003","10.78","0.0008","90","","90","","90","","1416.15","0.17","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2,4-dinitrophenyl m-nitrobenzenesulfonate","2,4-Dinitrophenyl 3-nitrobenzenesulfonate","","- C12 H7 N3 O9 S -","- C12 H7 N3 O9 S -","- C48 H28 N12 O36 S4 -","4","1","CI6264","Vembu, Nagarajan; Nallu, Maruthai; Spencer, Elinor C.; Howard, Judith A. K.","2,4-Dinitrophenyl 3-nitrobenzenesulfonate","Acta Crystallographica Section E","2003","59","9","o1387","o1389","10.1107/S160053680301818X","","","0.71073","MoKα","","0.036","0.03","","","0.058","0.059","","","","","","0.967","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202532","16.082","0.003","6.745","0.001","8.467","0.002","90","","90","","90","","918.4","0.3","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[triaquacobalt(II)]-μ-2,3-pyridinedicarboxylato-κ^2^O^2^:O^3^]","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","CI6305","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","<i>catena</i>-Poly[[triaquacobalt(II)]-μ-2,3-pyridinedicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^]","Acta Crystallographica Section E","2003","59","12","m1143","m1145","10.1107/S1600536803026023","","","0.71073","MoKα","","0.035","0.035","","","0.067","0.068","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202612","14.08","0.002","15.158","0.003","20.233","0.004","90","","90","","90","","4318.2","1.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3,3,6,6-tetramethyl-9-(3,4-methylenedioxylphenyl)- 1,2,3,4,5,6,7,8,9,10-decahydroacridines-1,8-dione","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C192 H216 N8 O32 -","8","2","DN6087","Yuling Li; Xiangshan Wang; Daqing Shi; Baixiang Du; Shujiang Tu","3,3,6,6-Tetramethyl-9-(3,4-methylenedioxylphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2003","59","10","o1446","o1448","10.1107/S1600536803019378","","","0.71073","MoKα","","0.1345","0.0399","","","0.0739","0.0895","","","","","","0.748","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202837","16.969","0.002","8.0436","0.0011","16.552","0.002","90","","90","","90","","2259.2","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","fac-tris(4,6-dimethylpyrimidine-2-thiolato-N,S)cobalt(III) monohydrate","","- C18 H23 Co N6 O S3 -","- C18 H23 Co N6 O S3 -","- C72 H92 Co4 N24 O4 S12 -","4","1","OM6145","Burrow, Robert Alan; Schulz Lang, Ernesto; Fernandes Jr, Ramão Marceli; Vázquez-López, Ezequiel M.","A new polymorph of <i>fac</i>-tris(4,6-dimethylpyrimidine-2-thiolato-κ^2^<i>N,S</i>)cobalt(III) monohydrate","Acta Crystallographica Section E","2003","59","7","m396","m398","10.1107/S1600536803011486","","","0.71073","MoKα","","0.1503","0.0611","","","0.1147","0.1388","","","","","","0.845","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203032","15.5111","0.0014","11.0313","0.0009","12.7192","0.0012","90","","90","","90","","2176.4","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetra-μ-chloro-chloro(N,N,N',N'-tetramethylethane-1,2-diamine)(1,1,3- trimethyl-2-imidazolium)dicopper(I)copper(II)","","- C12 H29 Cl5 Cu3 N4 -","- C12 H29 Cl5 Cu3 N4 -","- C48 H116 Cl20 Cu12 N16 -","4","1","AC6072","Butcher, Ray J.; George, C.; Purdy, Andrew P.","Tetra-μ-chloro-chloro(<i>N,N,N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)(1,1,3-trimethyl-2-imidazolium)dicopper(I)copper(II)","Acta Crystallographica Section E","2004","60","1","m102","m104","10.1107/S1600536803027752","","","0.71073","MoKα","","0.0434","0.0342","","","0.0726","0.0766","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203266","10.7227","0.0013","11.0789","0.0013","10.1268","0.0012","90","","90","","90","","1203","0.2","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","N-(8-Quinolyl)-o-phenylenediamine","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","BT6408","Seshadri, Tarimala; Flörke, Ulrich; Henkel, Gerald","<i>N</i>-(8-Quinolyl)-<i>o</i>-phenylenediamine","Acta Crystallographica Section E","2004","60","3","o399","o400","10.1107/S1600536804003472","","","0.71073","MoKα","","0.0496","0.0427","","","0.1033","0.1073","","","","","","1.105","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203313","14.3555","0.0004","4.4969","0.0001","31.4473","0.001","90","","90","","90","","2030.09","0.1","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Phenylbenzaldehydeoxime","","- C13 H11 N O -","- C13 H11 N O -","- C104 H88 N8 O8 -","8","2","LH6171","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(<i>E</i>)-2-Phenylbenzaldehyde oxime forms hydrogen-bonded <i>C</i>~2~^2^(6) chains","Acta Crystallographica Section E","2004","60","3","o422","o424","10.1107/S1600536804003575","","","0.71073","MoKα","","0.0711","0.0452","","","0.0991","0.111","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203423","9.9819","0.0002","22.3639","0.0004","8.415","0.0001","90","","90","","90","","1878.52","0.06","296","1","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","DN6129","Weiming Xu; Xiu-Rong Hu; Jian-Ming Gu; Xian Huang","5-{2-[3-(4-Methoxyphenyl)-4,5-dihydroisoxazol-5-yl]vinyl}-3-<i>p</i>-tolylisoxazole","Acta Crystallographica Section E","2004","60","4","o676","o677","10.1107/S1600536804006269","","","0.7107","MoKα","","","0.048","","","","0.113","","","","","","1.006","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203758","18.0843","0.0005","8.198","0.0014","21.469","0.0012","90","","90","","90","","3182.9","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-n-Butyl-2-(4'-fluorophenyl)-1H-benzimidazole-6-carbonitrile","","- C18 H16 F N3 -","- C18 H16 F N3 -","- C144 H128 F8 N24 -","8","2","HB6041","Kazak, Canan; Yilmaz, Veysel T.; Goker, Hakan; Kus, Canan","1-<i>n</i>-Butyl-2-(4'-fluorophenyl)-1<i>H</i>-benzimidazole-6-carbonitrile","Acta Crystallographica Section E","2004","60","6","m819","m821","10.1107/S1600536804011468","","","0.71073","MoKα","","0.0678","0.036","","","0.0761","0.083","","","","","","0.8","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203811","9.442","0.001","5.063","0.001","27.926","0.004","90","","90","","90","","1335","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","trans-[Cu(gly)~2~].4-BrPhOHl","trans-bis(glycinato-N,O)copper(II) 4-bromophenol solvate","","- C10 H13 Br Cu N2 O5 -","- C10 H13 Br Cu N2 O5 -","- C40 H52 Br4 Cu4 N8 O20 -","4","1","SU6106","Bakir, Mohammed; Clarke, Suzanne A.; Hassan, Ishmael; Lancashire, Robert J.; Singh-Wilmot, Marvadeen","<i>trans</i>-Bis(glycinato-κ^2^<i>N,O</i>)copper(II) 4-bromophenol solvate","Acta Crystallographica Section E","2004","60","6","m868","m870","10.1107/S1600536804012541","","","0.71073","MoKα","","0.0611","0.0425","","","0.0946","0.1039","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203885","14.693","0.004","9.221","0.003","16.515","0.005","90","","90","","90","","2237.5","1.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(cis-Cyclohexano-18-crown-6)potassium chlorochromate","(cis-hexadecahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin)potassium chlorochromate","","- C16 H30 Cl Cr K O9 -","- C16 H30 Cl Cr K O9 -","- C64 H120 Cl4 Cr4 K4 O36 -","4","1","CV6334","Kotlyar, Sergey A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.","(<i>cis</i>-Cyclohexano-18-crown-6)potassium chlorochromate(VI)","Acta Crystallographica Section E","2004","60","7","m1015","m1016","10.1107/S1600536804015132","","","0.71073","MoKα","","0.0789","0.035","","","0.0771","0.0839","","","","","","0.935","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204105","9.613","0.004","11.759","0.005","16.571","0.007","90","","90","","90","","1873.1","1.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-[7-Fluoro-3,4-dihydro-4-(3-iodoprop-2-ynyl)-3-oxo-2H-1,4-benzoxazin-6-yl]- 4,5,6,7-tetrahydro-2H-isoindole-1,3-dione","","- C19 H14 F I N2 O4 -","- C19 H14 F I N2 O4 -","- C76 H56 F4 I4 N8 O16 -","4","1","WW6219","Hou, Zhong-Ke; Ren, Ye-Guo; Huang, Ming-Zhi; Song, Jian; Chen, Li-Gong","2-[7-Fluoro-3,4-dihydro-4-(3-iodoprop-2-ynyl)-3-oxo-2H-1,4-benzoxazin-6-yl]- 4,5,6,7-tetrahydro-2H-isoindole-1,3-dione","Acta Crystallographica, Section E","2004","60","8","o1335","o1336","10.1107/S160053680401637X","","","0.71073","MoKα","","0.0534","0.0299","","","","0.06","","","","","","0.989","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204109","14.535","0.003","5.34","0.001","9.731","0.002","90","","90","","90","","755.3","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[diaquamanganese(II)]-μ-iminodiacetato-κ^4^O,N,O':O'']","","- C4 H9 Mn N O6 -","- C4 H7 Mn N O6 -","- C16 H28 Mn4 N4 O24 -","4","1","WW6246","Zhang, Quan-Zheng; Lu, Can-Zhong","<i>catena</i>-Poly[[diaquamanganese(II)]-μ-iminodiacetato-κ^4^<i>O,N,O</i>':<i>O</i>'']","Acta Crystallographica Section E","2004","60","08","m1189","m1190","10.1107/S1600536804017908","","","0.71073","MoKα","","0.0179","0.0176","","","0.0465","0.0466","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204145","30.983","0.006","4.92","0.001","9.981","0.002","90","","90","","90","","1521.5","0.5","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Carboxymethyl-3-hydroxypyridinium chloride‒3-hydroxypyridinium-1-acetate (1/1)","","- C14 H15 Cl N2 O6 -","- C14 H15 Cl N2 O6 -","- C56 H60 Cl4 N8 O24 -","4","1","CI6421","Zhao, Hui; Huo, Li-Hua; Gao, Shan; Zhang, Zhu-Yan; Zhao, Jing-Gui; Ng, Seik Weng","1-Carboxymethyl-3-hydroxypyridinium chloride‒3-hydroxypyridinium-1-acetate (1/1)","Acta Crystallographica Section E","2004","60","9","o1501","o1503","10.1107/S1600536804018938","","","0.71073","MoKα","","0.035","0.033","","","0.087","0.09","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204187","17.5842","0.0017","7.6235","0.0008","17.8892","0.0013","90","","90","","90","","2398.1","0.4","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Dichlorobis[1-(2-ethoxyethyl)-1H-benzimidazole-κN^3^]cobalt(II)","","- C22 H28 Cl2 Co N4 O2 -","- C22 H28 Cl2 Co N4 O2 -","- C88 H112 Cl8 Co4 N16 O8 -","4","1","HG6082","Türktekin, Sevim; Akkurt, Mehmet; Orhan, Ersin; Küçükbay, F. Zehra; Küçükbay, Hasan; Büyükgüngör, Orhan","Dichlorobis[1-(2-ethoxyethyl)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]cobalt(II)","Acta Crystallographica Section E","2004","60","9","m1220","m1222","10.1107/S1600536804018835","","","0.71073","MoKα","","0.0351","0.0303","","","0.0714","0.0729","","","","","","0.98","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204200","18.1809","0.0004","10.6493","0.0003","6.847","0.0008","90","","90","","90","","1325.67","0.16","90","0.2","90","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(Benzo[b]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C60 H64 N8 S4 -","4","1","LH6258","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","4-(Benzo[<i>b</i>]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile","Acta Crystallographica Section E","2004","60","9","o1533","o1534","10.1107/S1600536804019543","","","0.71073","MoKα","","0.0698","0.044","","","0.0883","0.0977","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204230","19.1402","0.0009","5.4608","0.0002","16.8888","0.0007","90","","90","","90","","1765.23","0.13","105","","105","","","","","","","","","5","P c a 21","P 2c -2ac","29","","tris(3-nitrophenyl)phosphine oxide","","- C18 H12 N3 O7 P -","- C18 H12 N3 O7 P -","- C72 H48 N12 O28 P4 -","4","1","SU6134","Jean-Noël, Gregory; Fronczek, Frank R.; Isovitsch, Ralph","Tris(3-nitrophenyl)phosphine oxide","Acta Crystallographica Section E","2004","60","9","o1646","o1647","10.1107/S1600536804020732","","","0.71073","MoKα","","0.072","0.044","","","0.079","0.087","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204477","10.659","0.005","12.768","0.006","6.556","0.003","90","","90","","90","","892.2","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Cesium(I) hydrogen phthalate","","- C8 H5 Cs O4 -","- C8 H5 Cs O4 -","- C32 H20 Cs4 O16 -","4","1","CV6390","Mancheng Hu; Chunyu Geng; Shuni Li; Zhihong Liu; Yucheng Jiang; Guofang Zhang","Caesium(I) hydrogen phthalate","Acta Crystallographica Section E","2004","60","11","m1713","m1715","10.1107/S1600536804026479","","","0.71073","MoKα","","0.0287","0.0268","","","0.0719","0.0734","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204505","14.5818","0.0015","5.3508","0.0006","9.7958","0.0011","90","","90","","90","","764.31","0.14","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-poly[[diaquamanganese(II)]-μ-iminodiacetato-κ^3^N,O,O']","","- C4 H9 Mn N O6 -","- C4 H9 Mn N O6 -","- C16 H36 Mn4 N4 O24 -","4","1","HB6100","Bing-Xin Liu; Duan-Jun Xu","Redetermination of <i>catena</i>-poly[[diaquamanganese(II)]-μ-iminodiacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2004","60","11","m1570","m1572","10.1107/S1600536804024262","","","0.71073","MoKα","","0.022","0.021","","","0.05","0.051","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204523","10.165","0.005","14.205","0.007","13.262","0.006","90","","90","","90","","1915","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(1-Ferrocenyl-1-methoxy-3-phenylpropan-2-yl)-1H-1,2,4-triazole","","- C22 H23 Fe N3 O -","- C22 H23 Fe N3 O -","- C88 H92 Fe4 N12 O4 -","4","1","KP6004","Jin, Zhong; Song, Hai-bing; Liu, Wei; Hu, Yan; Liu, Jian-bin; Shao, Ling; Fang, Jian-xin","1-(1-Ferrocenyl-1-methoxy-3-phenyl-2-propyl)-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","11","m1692","m1694","10.1107/S1600536804025620","","","0.71073","MoKα","","0.0752","0.0416","","","0.083","0.1081","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2204747","8.776","0.003","11.78","0.005","10.645","0.004","90","","90","","90","","1100.5","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Acetamiprid","(E)-N^1^-[(6-Chloropyridin-3-yl)methyl]-N^2^-cyano-N^1^-methylacetamidine","","- C10 H11 Cl N4 -","- C10 H11 Cl N4 -","- C40 H44 Cl4 N16 -","4","1","LH6316","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","(<i>E</i>)-<i>N</i>^1^-[(6-Chloropyridin-3-yl)methyl]-<i>N</i>^2^-cyano-<i>N</i>^1^-methylacetamidine","Acta Crystallographica Section E","2004","60","12","o2374","o2375","10.1107/S1600536804029411","","","0.71073","MoKα","","0.0606","0.0484","","","0.108","0.1139","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204878","12.535","0.003","7.856","0.002","16.253","0.003","90","","90","","90","","1600.5","0.6","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","5-(N,N-Diethylamino)-4,6-diphenyl-1,2,3-triazine","","- C19 H20 N4 -","- C19 H20 N4 -","- C76 H80 N16 -","4","1","DN6169","Rozycka-Sokolowska, Ewa; Girek, Tomasz; Marciniak, Bernard; Pavlyuk, Volodymyr; Drabowicz, Jozef; Matsumoto, Kyoshi","5-(<i>N</i>,<i>N</i>-Diethylamino)-4,6-diphenyl-1,2,3-triazine","Acta Crystallographica Section E","2005","61","1","o93","o95","10.1107/S1600536804032003","","","0.71069","MoKα","","0.0435","0.0346","","","0.0861","0.0875","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204893","17.416","0.005","7.624","0.005","17.667","0.005","90","","90","","90","","2345.8","1.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Dichlorobis[1-(2-ethoxyethyl)-1H-benzimidazole-κN^3^]nickel(II)","","- C22 H28 Cl2 N4 Ni O2 -","- C22 H28 Cl2 N4 Ni O2 -","- C88 H112 Cl8 N16 Ni4 O8 -","4","1","HB6130","Mehmet Akkurt; Selvi Karaca; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","Dichlorobis[1-(2-ethoxyethyl)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]nickel(II)","Acta Crystallographica Section E","2005","61","1","m41","m43","10.1107/S1600536804031356","","","0.71073","MoKα","","0.0279","0.0267","","","0.0686","0.0691","","","","","","1.067","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205109","27.612","0.0002","7.947","0.0003","5.977","0.001","90","","90","","90","","1311.5","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","p-methylphenyl p-toluenesulfonate","4-methylphenyl 4-toluenesulfonate","","- C14 H14 O3 S -","- C14 H14 O3 S -","- C56 H56 O12 S4 -","4","1","LH6339","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Fronczek, Frank R.","4-Methylphenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O and C—H···π interactions","Acta Crystallographica Section E","2005","61","2","o242","o244","10.1107/S1600536804033343","","","0.71073","MoKα","","0.0744","0.0389","","","0.0779","0.0833","","","","","","0.852","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205111","24.321","0.003","5.0468","0.0005","8.6066","0.0008","90","","90","","90","","1056.4","0.19","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-(p-Nitrobenzyl)-1,3-thiazolidine-2,4-dione","","- C10 H8 N2 O4 S -","- C10 H8 N2 O4 S -","- C40 H32 N8 O16 S4 -","4","1","LH6342","Yathirajan, Hemmige S.; Rai, Kuriya M. Lokanatha; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Prabhuswamy, Basappa; Bolte, Michael","3-(<i>p</i>-Nitrobenzyl)-1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2005","61","2","o245","o246","10.1107/S1600536804033951","","","0.71073","MoKα","","0.0514","0.0483","","","0.1212","0.1235","","","","","","1.018","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205140","17.032","0.002","3.9694","0.0005","35.819","0.005","90","","90","","90","","2421.6","0.5","95","2","95","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ethyl 1,3-dibromoazulene-6-carboxylate","","- C13 H10 Br2 O2 -","- C13 H10 Br2 O2 -","- C104 H80 Br16 O16 -","8","2","OB6470","Hussain, Zakir; Oeser, Thomas; Hopf, Henning","Ethyl 1,3-dibromoazulene-6-carboxylate","Acta Crystallographica Section E","2005","61","2","o478","o479","10.1107/S1600536805001972","","","0.71073","MoKα","","0.044","0.042","","","0.091","0.092","","","","","","1.111","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205141","12.2243","0.0006","19.1241","0.001","8.5207","0.0019","90","","90","","90","","1992","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","12,13-Dihydro-12-oxo-13-phenylbenzo[b]naphth[f][1,4]oxazepine-2,3-dicarbonitrile","","- C25 H13 N3 O2 -","- C25 H13 N3 O2 -","- C100 H52 N12 O8 -","4","1","RN6033","Is̨ik, S̨amil; Yavuz, Metin; Akdemir, Nesuhi; Ağar, Erbil; Özil, Musa","12,13-Dihydro-12-oxo-13-phenylbenzo[<i>b</i>]naphth[<i>f</i>][1,4]oxazepine-2,3-dicarbonitrile","Acta Crystallographica Section E","2005","61","2","o427","o428","10.1107/S1600536805000991","","","0.71073","MoKα","","0.0599","0.0331","","","0.0694","0.0759","","","","","","0.879","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205254","25.149","0.004","7.976","0.005","5.916","0.004","90","","90","","90","","1186.7","1.1","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Phenyl p-toluenesulfonate","Phenyl 4-toluenesulfonate","","- C13 H12 O3 S -","- C13 H12 O3 S -","- C52 H48 O12 S4 -","4","1","ER6006","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Anthony Linden","Phenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O and C—H···π interactions","Acta Crystallographica Section E","2005","61","3","o690","o692","10.1107/S1600536805001029","","","0.71069","MoKα","","0.0786","0.0669","","","0.1622","0.1767","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205503","11.3496","0.0019","18.016","0.003","10.9165","0.0018","90","","90","","90","","2232.1","0.6","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","3-(2,4-Dichlorophenyl)-4-[(1E)-(2,4-dichlorophenyl)methyleneamino]- 4,5-dihydro-1H-1,2,4-triazole-5-thione dimethylformamide solvate","","- C18 H15 Cl4 N5 O S -","- C18 H15 Cl4 N5 O S -","- C72 H60 Cl16 N20 O4 S4 -","4","1","HG6143","Fang, Xiao-Niu; Zhong, Fan; Dai, Mei-Zhen; Hu, Rong-Hua","3-(2,4-Dichlorophenyl)-4-[(1<i>E</i>)-(2,4-dichlorophenyl)methyleneamino]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione dimethylformamide solvate","Acta Crystallographica Section E","2005","61","4","o863","o865","10.1107/S1600536805006240","","","0.71073","MoKα","","0.0581","0.0311","","","0.0371","0.0388","","","","","","0.821","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205603","11.75","0.002","7.41","0.002","33.842","0.007","90","","90","","90","","2946.5","1.1","298","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","catena-Poly[[[4-bromo-2-(2-dimethylaminoethyliminomethyl)phenolato]zinc(II)]- μ-thiocyanato]","","- C12 H14 Br N3 O S Zn -","- C12 H14 Br N3 O S Zn -","- C96 H112 Br8 N24 O8 S8 Zn8 -","8","2","SU6182","Yue, Guo-Ren; Lei, Xin-You; Xu, Xin-Jian; Xue, Guo-Qing","<i>catena</i>-Poly[[[4-bromo-2-(2-dimethylaminoethyliminomethyl)phenolato]zinc(II)]-μ-thiocyanato]","Acta Crystallographica Section E","2005","61","4","m722","m724","10.1107/S1600536805008305","","","0.71073","MoKα","","0.0539","0.0405","","","0.0869","0.0933","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205612","16.292","0.001","7.2154","0.0006","13.68","0.001","90","","90","","90","","1608.1","0.2","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","caesium thorium phyllosilicate","cesium thorium(IV) silicate","","- Cs2 O15 Si6 Th -","- Cs2 O15 Si6 Th -","- Cs8 O60 Si24 Th4 -","4","1","WM6055","Woodward, Jonathan D.; Almond, Philip M.; Albrecht-Schmitt, Thomas E.","Caesium thorium silicate, Cs~2~ThSi~6~O~15~","Acta Crystallographica, Section E","2005","61","4","i58","i60","10.1107/S1600536805008421","","","0.71073","MoKα","","0.0405","0.0353","","","0.0744","0.0759","","","","","","1.066","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2205661","19.386","0.006","5.584","0.0015","17.928","0.005","90","","90","","90","","1940.7","1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","9-oxo-10-diphenylphosphinoylanthracene","","- C26 H19 O2 P -","- C26 H19 O2 P -","- C104 H76 O8 P4 -","4","1","CF6410","Qing-Xiang Liu; Hai-bin Song","9-Oxo-10-diphenylphosphinoylanthracene","Acta Crystallographica Section E","2005","61","5","o1489","o1490","10.1107/S1600536805006598","","","0.71073","MoKα","","0.0725","0.0402","","","0.074","0.0828","","","","","","0.948","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205883","15.194","0.0015","15.908","0.003","13.227","0.002","90","","90","","90","","3197","0.8","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","calcium nitrate(15-crown-5)","Bis(nitrato-κ^2^O,O')(1,4,7,10,13-pentaoxacyclopentadecane)calcium(II)","","- C10 H20 Ca N2 O11 -","- C10 H20 Ca N2 O11 -","- C80 H160 Ca8 N16 O88 -","8","2","CF6421","Brown, Michael D.; Levason, William; Webster, Michael","Bis(nitrato-κ^2^<i>O,O</i>')(1,4,7,10,13-pentaoxacyclopentadecane)calcium(II)","Acta Crystallographica Section E","2005","61","6","m1015","m1017","10.1107/S1600536805012973","","","0.71073","MoKα","","0.0516","0.0402","","","0.0832","0.0887","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205928","15.096","0.003","6.1108","0.0012","32.164","0.006","90","","90","","90","","2967.1","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[aquacadmium(II)]bis(μ-4,5-diphenyl-1H-imidazole-1-acetate- κ^3^N:O,O')]","","- C34 H28 Cd N4 O5 -","- C34 H28 Cd N4 O5 -","- C136 H112 Cd4 N16 O20 -","4","1","ER6011","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua","<i>catena</i>-Poly[[aquacadmium(II)]bis(μ-4,5-diphenyl-1<i>H</i>-imidazole-1-acetate)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>]","Acta Crystallographica Section E","2005","61","6","m1012","m1014","10.1107/S160053680501295X","","","0.71073","MoKα","","0.039","0.0342","","","0.0889","0.0914","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206069","9.8596","0.001","23.584","0.002","8.4499","0.0008","90","","90","","90","","1964.8","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(Benzoylmethyl)-4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-3-(2-thienylmethyl)- 1H-1,2,4-triazol-5(4H)-one","","- C19 H18 N6 O2 S -","- C19 H18 N6 O2 S -","- C76 H72 N24 O8 S4 -","4","1","SJ6084","Sancak, Kemal; Çoruh, Ufuk; Ünver, Yasemin; Vázquez-López, Ezequiel M.","1-(Benzoylmethyl)-4-(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-yl)-3-(2-thienylmethyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2005","61","6","o1785","o1787","10.1107/S1600536805015084","","","0.71073","MoKα","","0.1332","0.0851","","","0.2296","0.249","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206177","26.334","0.008","4.5962","0.0013","9.57","0.003","90","","90","","90","","1158.3","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(3-Nitrophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","1","DN6226","Jun Wan; Chun-Li Li; Xue-Mei Li; Ying Li; Shu-Sheng Zhang; Hong Xu; Ping-Kai Ouyang","1-(3-Nitrophenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2005","61","7","o1997","o1998","10.1107/S1600536805017198","","","0.71073","MoKα","","0.044","0.0384","","","0.0885","0.092","","","","","","1.139","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206199","19.6572","0.0016","8.0741","0.0007","17.6413","0.0015","90","","90","","90","","2799.9","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocuprate(II)","","- C8 H18 Cl4 Cu N2 -","- C8 H18 Cl4 Cu N2 -","- C64 H144 Cl32 Cu8 N16 -","8","2","HG6186","Sun, Xian-Ming; Qu, Yang","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocuprate(II)","Acta Crystallographica Section E","2005","61","7","m1360","m1362","10.1107/S160053680501860X","","","0.71073","MoKα","","0.0342","0.0305","","","0.0733","0.0754","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206258","11.9675","0.0015","11.066","0.002","32.7891","0.0014","90","","90","","90","","4342.3","1","290","2","290","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(3RS,4RS)-3-(2-Furyl)-2-phenetyl-4-(pyrrolidin-1-ylcarbonyl)-3,4- dihydroisoquinolin-1(2H)-one","(3RS,4RS)-3-(2-Furyl)-2-phenetyl-4-(pyrrolidin-1-ylcarbonyl)-3,4- dihydroisoquinolin-1(2H)-one","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C208 H208 N16 O24 -","8","2","OB6537","Rosica Petrova; Boris Shivachev; Krasimir Kosev; Malinka Stoyanova; Silvia Angelova","(3<i>RS</i>,4<i>RS</i>)-3-(2-Furyl)-2-phenethyl-4-(pyrrolidin-1-ylcarbonyl)-3,4-dihydroisoquinolin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","7","o2248","o2250","10.1107/S1600536805019239","","","0.71073","MoKα","","0.1428","0.0551","","","0.1026","0.1287","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206280","21.883","0.002","8.7246","0.0006","7.2407","0.0006","90","","90","","90","","1382.4","0.2","273","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","7-Amino-3-(3-aminophenyl)-1H-quinazoline-2,4-dithione","","- C14 H12 N4 S2 -","- C14 H12 N4 S2 -","- C56 H48 N16 S8 -","4","1","SG6012","Yu, Yun; Yang, Kai-Bin; Lin, Li-Rong; Huang, Rong-Bin; Zheng, Lan-Sun","7-Amino-3-(3-aminophenyl)-1<i>H</i>-quinazoline-2,4-dithione","Acta Crystallographica Section E","2005","61","7","o2310","o2311","10.1107/S1600536805019926","","","0.71073","MoKα","","0.0925","0.0662","","","0.1501","0.1644","","","","","","0.991","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206281","20.6025","0.0004","12.4769","0.0002","29.709","0.0006","90","","90","","90","","7636.9","0.2","173","2","173","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C37 H41 Cl Fe N2 Ni O2 P2 S3 -","- C37 H41 Cl Fe N2 Ni O2 P2 S3 -","- C296 H328 Cl8 Fe8 N16 Ni8 O16 P16 S24 -","8","2","SG6013","Duff, S. E.; Hitchcock, P. B.; Davies, S. C.; Barclay, J. E.; Evans, D. J.","1,3-Bis(diphenylphosphino)propane-2κ^2^<i>P</i>,<i>P</i>'-dicarbonyl-1κ^2^<i>C</i>-chloro-2κ<i>Cl</i>-{μ-2,2',2''-nitrilotriethanethiolato(3‒)-1κ^4^<i>N</i>,<i>S</i>,<i>S</i>',<i>S</i>'':2κ^2^<i>S</i>,<i>S</i>'}iron(II)nickel(II) acetonitrile solvate","Acta Crystallographica Section E","2005","61","7","m1316","m1319","10.1107/S1600536805018088","","","0.71073","MoKα","","0.066","0.0522","","","0.1006","0.1069","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","194481","2020-10-21","18:00:00",""
"2206394","10.943","0.004","13.777","0.005","7.514","0.003","90","","90","","90","","1132.8","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(4-Methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","CV6538","Jun Wan; Chun-Li Li; Xue-Mei Li; Shi-Ying Wang; Shu-Sheng Zhang","1-(4-Methylphenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2005","61","8","o2391","o2392","10.1107/S1600536805020568","","","0.71073","MoKα","","0.0581","0.0368","","","0.1041","0.1075","","","","","","1.139","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206487","21.6122","0.0008","5.0393","0.0002","12.7868","0.0005","90","","90","","90","","1392.61","0.09","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Nitrobenzaldehyde 2-iodobenzoylhydrazone","","- C14 H10 I N3 O3 -","- C14 H10 I N3 O3 -","- C56 H40 I4 N12 O12 -","4","1","LH6467","Glidewell, Christopher; Low, John N.; Wardell, James L.","2-Nitrobenzaldehyde 2-iodobenzoylhydrazone","Acta Crystallographica Section E","2005","61","8","o2438","o2440","10.1107/S1600536805021355","","","0.71073","MoKα","","0.0306","0.0257","","","0.0514","0.0535","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206497","18.363","0.004","5.2852","0.0014","12.509","0.002","90","","90","","90","","1214","0.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(2-Chloroanilino)acetophenone","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","NC6038","Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Nagaraja, Padmarajaiah; Bolte, Michael","(2-Chloroanilino)acetophenone","Acta Crystallographica Section E","2005","61","8","o2551","o2552","10.1107/S1600536805022051","","","0.71073","MoKα","","0.0615","0.05","","","0.1341","0.1457","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206617","21.9799","0.0015","6.9727","0.0004","20.77","0.0013","90","","90","","90","","3183.2","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Triethylaminium picrate","","- C12 H18 N4 O7 -","- C12 H18 N4 O7 -","- C96 H144 N32 O56 -","8","2","AT6023","Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar","Triethylaminium picrate","Acta Crystallographica Section E","2005","61","9","o2987","o2989","10.1107/S1600536805025870","","","1.54178","CuKα","","0.073","0.052","","","0.144","0.165","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206648","13.413","0.002","13.115","0.002","7.104","0.001","90","","90","","90","","1249.7","0.3","291","2","291","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-3-nitrobenzylidene-p-toluidine N-p-toluidene-3-nitrobenzeneamine","N-[(3-nitrophenyl)methylene]-4-methylbenzenamine N-(4-methylphenyl)-3-nitrobenzylideneamine","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","BV6026","Wen Yang; Yan Zhang; De-Chun Zhang","<i>N</i>-(3-Nitrobenzylidene)-<i>p</i>-toluidine","Acta Crystallographica Section E","2005","61","9","o2964","o2966","10.1107/S160053680502581X","","","0.71073","MoKα","","0.0606","0.0362","","","0.0762","0.0838","","","","","","0.927","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206722","24.727","0.003","10.2755","0.0013","8.2037","0.0011","90","","90","","90","","2084.4","0.5","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","N-(2-Chlorophenyl)-2-{[(1E)-(4-methoxyphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O2 S -","- C23 H21 Cl N2 O2 S -","- C92 H84 Cl4 N8 O8 S4 -","4","1","HK6036","Anilkumar, G. N.; Kokila, M. K.; Puttaraja; Mohan, S.; Manjunath Shetty, K. S.","<i>N</i>-(2-Chlorophenyl)-2-{[(1<i>E</i>)-(4-methoxyphenyl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","Acta Crystallographica Section E","2005","61","9","o3038","o3040","10.1107/S1600536805026413","","","0.71073","MoKα","","0.0851","0.066","","","0.1436","0.1521","","","","","","1.106","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206810","13.1554","0.001","7.452","0.0004","17.9508","0.001","90","","90","","90","","1759.79","0.19","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","tetrapotassium niobium tantalum undecasulfide","","- K4 Nb1.04 S11 Ta0.96 -","- K4 Nb1.042 S11 Ta0.958 -","- K16 Nb4.168 S44 Ta3.832 -","4","1","WM6087","Yuandong Wu; Christian Näther; Wolfgang Bensch","K~4~Nb~0.96~Ta~1.04~S~11~","Acta Crystallographica Section E","2005","61","9","i208","i210","10.1107/S1600536805026930","","","0.71073","MoKα","","0.0215","0.0212","","","0.0562","0.0565","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207013","30.224","0.002","4.8017","0.0003","8.7257","0.0006","90","","90","","90","","1266.33","0.14","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Nitrosalicylaldehyde benzoylhydrazone","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","LH6505","Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng","5-Nitrosalicylaldehyde benzoylhydrazone","Acta Crystallographica Section E","2005","61","10","o3464","o3465","10.1107/S1600536805030497","","","0.71073","MoKα","","0.053","0.035","","","0.088","0.113","","","","","","1.17","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207032","14.873","0.0014","7.9521","0.0008","23.763","0.002","90","","90","","90","","2810.5","0.5","292","2","292","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2RS,3SR)-Diethyl 2,3-bis(3,4,5-trimethoxybenzoyl)succinate","","- C28 H34 O12 -","- C28 H34 O12 -","- C112 H136 O48 -","4","1","OB6575","Meng, Xiang-Gao; Wu, An-Xin","(2<i>RS</i>,3<i>SR</i>)-Diethyl 2,3-bis(3,4,5-trimethoxybenzoyl)succinate","Acta Crystallographica Section E","2005","61","10","o3117","o3118","10.1107/S1600536805027285","","","0.71073","MoKα","","0.0679","0.0481","","","0.1142","0.1248","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207096","8.3002","0.0006","20.6868","0.0014","8.5584","0.0006","90","","90","","90","","1469.52","0.18","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-(nitroso)-8,9-benzo-1-aza-4,7,10,13-tetraoxacyclopentadeca-8-ene","11-Nitroso-6,7,10,11,12,13,15,16-octahydro-9H-5,8,14,17- tetraoxa-11-azabenzocyclopentadecene","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","WW6393","Simonov, Yurii A.; Gonta, Maria V.; Yavolovskii, Arkadii A.","11-Nitroso-6,7,10,11,12,13,15,16-octahydro-9<i>H</i>-5,8,14,17-tetraoxa-11-azabenzocyclopentadecene","Acta Crystallographica Section E","2005","61","10","o3136","o3139","10.1107/S1600536805027315","","","0.71073","MoKα","","0.0304","0.029","","","0.0703","0.0712","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207156","19.428","0.001","7.0016","0.0005","11.5352","0.0008","90","","90","","90","","1569.1","0.18","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Dichloro(methanol-κO)[2-(2-pyridylmethyliminomethyl)phenolato- κ^3^N,N',O]iron(III)","","- C14 H15 Cl2 Fe N2 O2 -","- C14 H15 Cl2 Fe N2 O2 -","- C56 H60 Cl8 Fe4 N8 O8 -","4","1","BT6761","Jin-Hua Zhang; Jun Li; Feng-Xing Zhang; Ng, Seik Weng","Dichloro(methanol-κ<i>O</i>)[2-(2-pyridylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]iron(III)","Acta Crystallographica Section E","2005","61","11","m2338","m2339","10.1107/S1600536805033143","","","0.71073","MoKα","","0.031","0.025","","","0.06","0.062","","","","","","0.96","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207172","9.6232","0.0005","10.8138","0.0006","27.219","0.002","90","","90","","90","","2832.5","0.3","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Aqua(pyridine-κN)(N-salicylideneglycinato-κ^3^N,O,O')copper(II)","","- C14 H14 Cu N2 O4 -","- C14 H14 Cu N2 O4 -","- C112 H112 Cu8 N16 O32 -","8","2","CF6465","Li, Yu-Guang; Zhu, Hai-Liang; Chen, Xin-Zhi; Ng, Seik Weng","Aqua(pyridine-κ<i>N</i>)(<i>N</i>-salicylideneglycinato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2005","61","11","m2385","m2387","10.1107/S1600536805033647","","","0.71073","MoKα","","0.058","0.041","","","0.108","0.137","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207215","12.94","0.002","8.143","0.001","20.114","0.002","90","","90","","90","","2119.4","0.5","300","2","300","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Diethyl 2,6-dimethyl-4-[5-(4-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5- dicarboxylate","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C92 H96 N8 O28 -","4","1","ER6024","Vrábel, Viktor; Fronc, Marek; Svoboda, Ingrid; Marchalín, Štefan; Baumlová, Barbora","Diethyl 2,6-dimethyl-4-[5-(4-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2005","61","11","o3592","o3594","10.1107/S1600536805031430","","","0.71073","MoKα","","0.0831","0.0636","","","0.1697","0.1862","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207316","17.492","0.003","9.805","0.002","9.634","0.002","90","","90","","90","","1652.3","0.6","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(4-Chlorophenyl)-1,7,7-trimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione","","- C18 H20 Cl N O2 -","- C18 H20 Cl N O2 -","- C72 H80 Cl4 N4 O8 -","4","1","OB6488","Shujiang Tu; Xiaotong Zhu; Jinpeng Zhang; Jianing Xu; Qian Wang","4-(4-Chlorophenyl)-1,7,7-trimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione","Acta Crystallographica Section E","2005","61","11","o3536","o3537","10.1107/S1600536805008573","","","0.71073","MoKα","","0.0992","0.0591","","","0.1491","0.1785","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207324","30.821","0.006","14.136","0.003","15.571","0.003","90","","90","","90","","6784","2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(2,2'-Bipyridyl)dicarbonylbis(triethoxyphosphine-κP)rhenium(I) hexafluorophosphate","","- C24 H38 F6 N2 O8 P3 Re -","- C24 H38 F6 N2 O8 P3 Re -","- C192 H304 F48 N16 O64 P24 Re8 -","8","2","OM6264","Blake, Alexander J.; George, Michael W.; Kuimova, Marina K.; Williams, Colleen A.; Wilson, Claire","(2,2'-Bipyridyl)dicarbonylbis(triethoxyphosphine-κ<i>P</i>)rhenium(I) hexafluorophosphate","Acta Crystallographica Section E","2005","61","11","m2196","m2197","10.1107/S1600536805030643","","","0.71073","MoKα","","0.0387","0.0329","","","0.0711","0.0735","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207334","16.654","0.003","10.646","0.002","7.2599","0.0014","90","","90","","90","","1287.2","0.4","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","An analogue of Iminostilbene or Carbamazepine","5-Chlorocarbonyl-10,11-dihydro-5H-dibenz[b,f]azepine","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C60 H48 Cl4 N4 O4 -","4","1","SG6033","Vijay, T.; Anilkumar, H. G.; Yathirajan, H. S.; Narasimhamurthy, T.; Rathore, R. S.","5-Chlorocarbonyl-10,11-dihydro-5<i>H</i>-dibenz[<i>b</i>,<i>f</i>]azepine","Acta Crystallographica Section E","2005","61","11","o3718","o3720","10.1107/S1600536805030746","","","0.71073","MoKα","","0.0887","0.0629","","","0.1105","0.1191","","","","","","1.125","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207590","20.337","0.003","4.571","0.0006","18.456","0.003","90","","90","","90","","1715.7","0.4","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3,6-Dibromo-9-hexyl-9H-carbazole","","- C18 H19 Br2 N -","- C18 H19 Br2 N -","- C72 H76 Br8 N4 -","4","1","LH6533","Duan, Xue-Min; Huang, Peng-Mian; Li, Jiang-sheng; Zheng, Peng-Wu; Zeng, Tao","3,6-Dibromo-9-hexyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","12","o3977","o3978","10.1107/S1600536805035282","","","0.71073","MoKα","","0.0937","0.0465","","","0.1014","0.1174","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207654","14.928","0.005","8.326","0.003","8.83","0.003","90","","90","","90","","1097.5","0.7","295","3","295","3","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-Poly[[aqua(1H-imidazole-κN)cadmium(II)]- μ-thiodiacetato-κ^4^O,S,O':O'']","","- C7 H10 Cd N2 O5 S -","- C7 H10 Cd N2 O5 S -","- C28 H40 Cd4 N8 O20 S4 -","4","1","SJ6162","Tian-Tian Pan; Duan-Jun Xu","<i>catena</i>-Poly[[aqua(1<i>H</i>-imidazole-κ<i>N</i>)cadmium(II)]-μ-thiodiacetato-κ^4^<i>O</i>,<i>S</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2005","61","12","m2674","m2676","10.1107/S1600536805037608","","","0.71073","MoKα","","0.019","0.019","","","0.045","0.046","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207738","10.8782","0.0005","5.8899","0.0003","53.307","0.003","90","","90","","90","","3415.5","0.3","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(3-Methyl-3-phenylcyclobutyl)-2-(piperidin-1-yl)ethanone oxime","","- C18 H26 N2 O -","- C18 H26 N2 O -","- C144 H208 N16 O8 -","8","2","CI6691","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan","1-(3-Methyl-3-phenylcyclobutyl)-2-(piperidin-1-yl)ethanone oxime","Acta Crystallographica Section E","2006","62","1","o336","o338","10.1107/S160053680504208X","","","0.71073","MoKα","","0.0524","0.0461","","","0.1178","0.1222","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207807","6.5559","0.0004","13.7147","0.0007","14.52","0.0008","90","","90","","90","","1305.53","0.13","100","2","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Methoxy-N-[2-(methylsulfanyl)phenyl]salicylaldimine","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","IS6164","Hamaker, Christopher G.; Corgliano, Danielle M.","3-Methoxy-<i>N</i>-[2-(methylsulfanyl)phenyl]salicylaldimine","Acta Crystallographica Section E","2006","62","1","o68","o69","10.1107/S1600536805040031","","","0.71073","MoKα","","","0.0296","","","","0.0785","","","","","","1.131","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207908","14.166","0.002","12.9093","0.0014","27.669","0.005","90","","90","","90","","5059.9","1.3","161","2","161","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-[2-(Hydroxymethyl)phenyl]-N,N-dimethylpent-4-ynamide","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C224 H272 N16 O32 -","16","4","SU6255","Bats, Jan W.; Schäfer, Sascha; Hashmi, A. Stephen K.","5-[2-(Hydroxymethyl)phenyl]-<i>N</i>,<i>N</i>-dimethylpent-4-ynamide","Acta Crystallographica Section E","2006","62","1","o179","o181","10.1107/S1600536805040833","","","0.71073","MoKα","","0.0726","0.0426","","","0.0815","0.0884","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208138","13.3357","0.0003","9.1867","0.0002","22.798","0.0005","90","","90","","90","","2793.01","0.11","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","[Cu~2~(TCT)~2~(NCMe)~2~](BF~4~)~2~","Bis(μ-thiophene-2-carboxaldehyde thiosemicarbazonato)bis[acetonitrilecopper(I)] bis(tetrafluoroborate)","","- C16 H20 B2 Cu2 F8 N8 S4 -","- C16 H20 B2 Cu2 F8 N8 S4 -","- C64 H80 B8 Cu8 F32 N32 S16 -","4","1","OM6281","Pike, Robert D.; Wiles, Austin B.; Tronic, Tristan A.","Bis(μ-thiophene-2-carbaldehyde thiosemicarbazonato)bis[acetonitrilecopper(I)] bis(tetrafluoroborate)","Acta Crystallographica Section E","2006","62","2","m347","m349","10.1107/S1600536806001887","","","1.54178","CuKα","","0.0574","0.0447","","","0.1051","0.1108","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208145","24.379","0.006","9.601","0.002","7.991","0.003","90","","90","","90","","1870.4","0.9","173","1","173","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-Methyl-4-phenylbuta-2,3-dien-1-ol","","- C11 H12 O -","- C11 H12 O -","- C88 H96 O8 -","8","2","RZ2001","Lee, Ja-Young; Schürmann, Markus; Preut, Hans; Krause, Norbert","2-Methyl-4-phenylbuta-2,3-dien-1-ol","Acta Crystallographica Section E","2006","62","2","o550","o551","10.1107/S1600536805042960","","","0.71073","MoKα","","0.1766","0.0392","","","0.063","0.0841","","","","","","1.002","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208266","15.9489","0.0015","7.4448","0.0007","11.1716","0.0011","90","","90","","90","","1326.5","0.2","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","metanilic acid: polymorph 2","3-ammoniobenzenesulfonate","","- C6 H7 N O3 S -","- C6 H7 N O3 S -","- C48 H56 N8 O24 S8 -","8","2","BT6811","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","The second orthorhombic polymorph of zwitterionic metanilic acid at 130 K","Acta Crystallographica Section E","2006","62","3","o948","o950","10.1107/S1600536806003953","","","0.71073","MoKα","","0.0426","0.0406","","","0.0646","0.0657","","","","","","0.935","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208370","22.784","0.001","4.3504","0.0002","9.2672","0.0006","90","","90","","90","","918.56","0.08","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","6-Acetyl-2-(N-methylamido)pyridine","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","LH2004","Su, Bi-Yun; Zhao, Jian-She; Ng, Seik Weng","6-Acetyl-2-(<i>N</i>-methylamido)pyridine","Acta Crystallographica Section E","2006","62","3","o1151","o1152","10.1107/S1600536806006015","","","0.71073","MoKα","","0.081","0.046","","","0.131","0.165","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209296","18.82","0.002","5.3367","0.0006","19.027","0.002","90","","90","","90","","1911","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1-(4-chlorobenzoyl)ethyl nicotinate","","- C21 H15 Cl N4 O3 -","- C21 H15 Cl N4 O3 -","- C84 H60 Cl4 N16 O12 -","4","1","RZ2032","Jun Wan; Zheng-Zhong Peng; Xue-Mei Li; Ping-Kai Ouyang; Shu-Sheng Zhang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-ylmethyl)-1-(4-chlorobenzoyl)ethyl nicotinate","Acta Crystallographica Section E","2006","62","6","o2302","o2303","10.1107/S1600536806017065","","","0.71073","MoKα","","0.0617","0.0434","","","0.0812","0.0891","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209464","16.655","0.0015","10.6438","0.001","7.2559","0.0007","90","","90","","90","","1286.3","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","10,11-Dihydro-dibenzo[b,f]azepine-5-carbothioic S-acid","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","CV2067","Wei-Hua Jin; Can Jin; Zhi Hong; Ping Wang","10,11-Dihydrodibenzo[<i>b</i>,<i>f</i>]azepine-5-carbothioic <i>S</i>-acid","Acta Crystallographica Section E","2006","62","7","o2844","o2845","10.1107/S1600536806022094","","","0.71073","MoKα","","0.0527","0.0504","","","0.1211","0.1225","","","","","","1.182","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209478","19.855","0.0013","4.7939","0.0003","13.6612","0.0013","90","","90","","90","","1300.31","0.17","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","7,7a-dihydroisoindolo[2,1-a]pyrimidin-12-one","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","DN2047","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","7,7a-Dihydroisoindolo[2,1-<i>a</i>]pyrimidin-12-one","Acta Crystallographica Section E","2006","62","7","o2929","o2931","10.1107/S1600536806022525","","","0.71073","MoKα","","0.0376","0.0323","","","0.0764","0.0789","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209482","11.623","0.006","9.354","0.005","9.114","0.005","90","","90","","90","","990.9","0.9","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-Poly[imidazolium [[diaquadichloromanganese(II)]-μ-chloro]]","","- C3 H9 Cl3 Mn N2 O2 -","- C3 H9 Cl3 Mn N2 O2 -","- C12 H36 Cl12 Mn4 N8 O8 -","4","1","ER2003","Zhang, Hui; Wu, Yan-Mei; Fang, Liang","<i>catena</i>-Poly[imidazolium [[diaquadichloromanganese(II)]-μ-chloro]]","Acta Crystallographica Section E","2006","62","7","m1459","m1461","10.1107/S1600536806019519","","","0.71073","MoKα","","0.0209","0.0192","","","0.0455","0.0459","","","","","","1.006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209579","11.631","0.001","24.686","0.001","8.198","0.001","90","","90","","90","","2353.8","0.4","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,3-Benzodioxol-5-ylmethaneammonium 2-methoxy-5-[(1<i>E</i>)-3-oxo-3-phenylprop-1-en-1-yl] bezenesulfonate monohydrate","","- C24 H25 N O8 S -","- C24 H25 N O8 S -","- C96 H100 N4 O32 S4 -","4","1","KP2022","da Silva, Luiz Everson; Andrighetti-Fröhner, Carla Regina; Nunes, Ricardo José; Simões, Cláudia Maria Oliveira; Foro, Sabine","(1,3-Benzodioxol-5-ylmethyl)ammonium 2-methoxy-5-[(1<i>E</i>)-3-oxo-3-phenylprop-1-en-1-yl]bezenesulfonate monohydrate","Acta Crystallographica Section E","2006","62","7","o2785","o2787","10.1107/S1600536806021076","","","1.5418","CuKα","","0.0543","0.0454","","","0.1216","0.1276","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209771","17.432","0.001","3.8123","0.0003","16.734","0.001","90","","90","","90","","1112.07","0.13","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[(di-2-pyridylamine-κ^2^N,N')copper(I)]-μ-isothiocyanato- κ^2^S:S]","","- C11 H9 Cu N4 S -","- C11 H9 Cu N4 S -","- C44 H36 Cu4 N16 S4 -","4","1","BT2142","Zhou, Rui; Ng, Seik Weng","<i>catena</i>-Poly[[(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-isothiocyanato-κ^2^<i>S</i>:<i>S</i>]","Acta Crystallographica Section E","2006","62","8","m1873","m1874","10.1107/S1600536806027309","","","0.71073","MoKα","","0.0431","0.0399","","","0.1026","0.105","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209914","20.905","0.002","10.222","0.001","12.516","0.006","90","","90","","90","","2674.6","1.3","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-[(Cyclohexylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C104 H152 N8 O32 -","8","2","KP2031","Vencato, Ivo; Cunha, Silvio; Ferrari, Jailton; Lariucci, Carlito; Xavier, Leandro C.","5-[(Cyclohexylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2006","62","8","o3581","o3583","10.1107/S1600536806026717","","","1.5418","CuKα","","0.0682","0.0574","","","0.1467","0.2037","","","","","","1.196","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210024","17.355","0.004","18.225","0.004","7.4532","0.0018","90","","90","","90","","2357.4","0.9","296","2","296","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","2',7'-Di-1-naphthylspiro[cyclopropane-1,9'-fluorene]","","- C35 H24 -","- C35 H24 -","- C140 H96 -","4","1","XU2065","Tang, Lei; Ye, Jian-Chuan; Wang, Zi-Xing; Lu, Ping","2',7'-Di-1-naphthylspiro[cyclopropane-1,9'-fluorene]","Acta Crystallographica Section E","2006","62","8","o3187","o3188","10.1107/S1600536806024652","","","0.71073","MoKα","","0.047","0.036","","","0.088","0.094","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210186","8.9808","0.0005","12.1341","0.0007","17.873","0.001","90","","90","","90","","1947.69","0.19","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[diaqua[(Z)-3-(1H-benzimidazol-2-yl)prop-2-enoato- κ^2^N,O]cobalt(II)]-μ-(Z)-3-(1H-benzimidazol-2-yl)prop-2-enoato-κ^2^O:O']","","- C20 H18 Co N4 O6 -","- C20 H18 Co N4 O6 -","- C80 H72 Co4 N16 O24 -","4","1","CV2086","Zeng, Ming-Hua; Zhou, Yan-Ling; Ng, Seik Weng","<i>catena</i>-Poly[[diaqua[(<i>Z</i>)-3-(1<i>H</i>-benzimidazol-2-yl)prop-2-enoato-κ^2^<i>N</i>,<i>O</i>]cobalt(II)]-μ-(<i>Z</i>)-3-(1<i>H</i>-benzimidazol-2-yl)prop-2-enoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","9","m2099","m2100","10.1107/S1600536806030340","","","0.71073","MoKα","","0.037","0.028","","","0.064","0.068","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210212","15.49","0.003","11.021","0.002","6.8124","0.0014","90","","90","","90","","1163","0.4","295","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[(2-methylimidazole)copper(II)]-μ-pyridine-2,6-dicarboxylato]","","- C11 H9 Cu N3 O4 -","- C11 H9 Cu N3 O4 -","- C44 H36 Cu4 N12 O16 -","4","1","EZ2022","Xiang, Jing; Mei, Ping; Li, Qing","<i>catena</i>-Poly[[(2-methylimidazole)copper(II)]-μ-pyridine-2,6-dicarboxylato]","Acta Crystallographica Section E","2006","62","9","m2380","m2382","10.1107/S1600536806034222","","","0.71073","MoKα","","0.061","0.056","","","0.133","0.136","","","","","","1.15","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210273","10.5859","0.0001","12.6355","0.0001","9.6041","0.0001","90","","90","","90","","1284.63","0.02","85","2","85","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(4-Pyridylaminocarbonyl)ferrocene","","- C16 H14 Fe N2 O -","- C16 H14 Fe N2 O -","- C64 H56 Fe4 N8 O4 -","4","1","HG2092","Boyd, Peter D.W.; Paauwe, John D.","(4-Pyridylaminocarbonyl)ferrocene","Acta Crystallographica Section E","2006","62","9","m2153","m2155","10.1107/S1600536806031084","","","0.71073","MoKα","","0.0208","0.0188","","","0.0465","0.0473","","","","","","1.07","","","","has coordinates,has Fobs","209313","2020-10-21","18:00:00",""
"2210290","8.04","0.003","12.475","0.004","15.331","0.005","90","","90","","90","","1537.7","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Tetrabromo Tröger's base","2,4,8,10-tetrabromo-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine","","- C15 H10 Br4 N2 -","- C15 H10 Br4 N2 -","- C60 H40 Br16 N8 -","4","1","HK2104","Faroughi, Masoud; Try, Andrew C.; Turner, Peter","2,4,8,10-Tetrabromo-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","Acta Crystallographica Section E","2006","62","9","o3893","o3894","10.1107/S1600536806031734","","","0.71073","MoKα","","0.0286","0.024","","","0.0512","0.0527","","","","","","1.127","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210485","16.4873","0.0016","4.053","0.0004","12.7746","0.0013","90","","90","","90","","853.64","0.15","190","2","190","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2,3,6-Trichloroiodobenzene","2,3,6-Trichloro-1-iodobenzene","","- C6 H2 Cl3 I -","- C6 H2 Cl3 I -","- C24 H8 Cl12 I4 -","4","1","AT2119","Shaikh, Nadim S.; Swenson, Dale C.; Lehmler, Hans-J.","2,3,6-Trichloroiodobenzene","Acta Crystallographica Section E","2006","62","10","o4672","o4673","10.1107/S1600536806038426","","","0.71069","MoKα","","0.0421","0.0337","","","0.084","0.0892","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210493","23.4483","0.0001","8.5304","0.0004","22.5347","0.0005","90","","90","","90","","4507.5","0.2","295","","","","","","","","","","","5","P c a 21","P 2c -2ac","","","trans-diamminetetranitrocobalt(III)","","- C12 H34 Co N7 O8 -","- C12 H34 Co N7 O8 -","- C96 H272 Co8 N56 O64 -","8","2","BH2033","Vermani, Bal Krishan; Sharma, Raj Pal; Gill, Dip Singh; Pretto, Loretta; Ferretti, Valeria","Tetrapropylammonium <i>trans</i>-diamminetetranitrocobaltate(III)","Acta Crystallographica Section E","2006","62","10","m2412","m2414","10.1107/S1600536806034313","","","0.71073","MoKα","","","0.0507","","","","0.1365","","","","","","1.032","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210559","25.62","0.016","4.179","0.003","20.043","0.013","90","","90","","90","","2146","2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,3,5-Tris(2-acetylthienyl)benzene","","- C24 H18 O3 S3 -","- C24 H18 O3 S3 -","- C96 H72 O12 S12 -","4","1","CV2109","Zhu, Chen-Hao; Pu, Ji-Qin; Huang, Jian-Yan; Wu, Jie-Ying","1,3,5-Tris(2-acetylthienyl)benzene","Acta Crystallographica Section E","2006","62","10","o4312","o4314","10.1107/S1600536806034817","","","0.71073","MoKα","","0.0946","0.0537","","","0.1339","0.1708","","","","","","0.972","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210867","24.359","0.002","9.2553","0.0008","10.9579","0.0012","90","","90","","90","","2470.5","0.4","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5- dicarboxylic acid 3-benzyl ester 5-tert-butyl ester","3-Benzyl 5-tert-butyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","1","BG2009","Sun, Feng-Xia; Yu, Yi-Feng","3-Benzyl 5-<i>tert</i>-butyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o5125","o5126","10.1107/S1600536806043078","","","0.7107","MoKα","","0.0387","0.0341","","","0.0741","0.076","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210973","16.2809","0.0014","10.4277","0.0007","7.5585","0.0005","90","","90","","90","","1283.22","0.16","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-(2-Methoxybenzyl)phthalimide","2-(2-methoxybenzyl)isoindoline-1,3-dione","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","DN2082","Warzecha, Klaus-Dieter; Lex, Johann; Griesbeck, Axel G.","<i>N</i>-(2-Methoxybenzyl)phthalimide: a two-dimensional network of <i>C</i>(7) and <i>C</i>(9) chain motifs","Acta Crystallographica Section E","2006","62","11","o5271","o5273","10.1107/S1600536806044060","","","0.71073","MoKα","","0.0553","0.0353","","","0.0616","0.0663","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211011","18.9396","0.001","14.497","0.0008","6.6729","0.0004","90","","90","","90","","1832.16","0.18","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","{2-[(E)-(2-Chlorophenoxyacetyl)hydrazonomethyl]phenolato}(imidazolyl)nickel(II)","","- C18 H15 Cl N4 Ni O3 -","- C18 H15 Cl N4 Ni O3 -","- C72 H60 Cl4 N16 Ni4 O12 -","4","1","GK2027","Zhang, Hong-Hai","{2-[(<i>E</i>)-(2-Chlorophenoxyacetyl)hydrazonomethyl]phenolato}(imidazolyl)nickel(II)","Acta Crystallographica Section E","2006","62","11","m3110","m3111","10.1107/S1600536806044308","","","0.71073","MoKα","","0.0379","0.0334","","","0.0825","0.085","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211219","12.243","0.004","9.924","0.003","10.002","0.003","90","","90","","90","","1215.2","0.7","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-Acetyl-N',N'-(butane-1,4-diyl)thiourea","","- C10 H18 N2 O S -","- C10 H18 N2 O S -","- C40 H72 N8 O4 S4 -","4","1","TK2088","Dillen, Jan; Woldu, Mengistu Ghebreysus; Koch, Klaus R.","<i>N</i>-Acetyl-<i>N</i>',<i>N</i>'-(butane-1,4-diyl)thiourea","Acta Crystallographica Section E","2006","62","11","o5228","o5229","10.1107/S1600536806043066","","","0.71073","MoKα","","0.044","0.04","","","0.09","0.091","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211366","13.519","0.01","9.902","0.009","13.319","0.017","90","","90","","90","","1783","3","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","[5-Fluoro-2-(4-methylbenzoyloxy)phenyl](4-methylphenyl)methanone","","- C22 H17 F O3 -","- C22 H17 F O3 -","- C88 H68 F4 O12 -","4","1","DN2090","Naveen, S.; Venu, T. D.; Shashikanth, S.; Sridhar, M. A.; Shashidhara Prasad, J.","[5-Fluoro-2-(4-methylbenzoyloxy)phenyl](4-methylphenyl)methanone","Acta Crystallographica Section E","2006","62","12","o5896","o5898","10.1107/S1600536806049737","","","0.71073","MoKα","","0.0459","0.0384","","","0.1013","0.1196","","","","","","1.11","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211446","10.464","0.002","11.191","0.002","9.1463","0.0018","90","","90","","90","","1071.1","0.4","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(Z)-benzyl 2-(hydroxyimino)acetoacetate","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","HG2130","Forsyth, Craig M.; Langford, Steven J.; Lee, Katrina A.","(<i>Z</i>)-Benzyl 2-(hydroxyimino)acetoacetate","Acta Crystallographica Section E","2006","62","12","o5654","o5655","10.1107/S1600536806047738","","","0.71073","MoKα","","0.04","0.0358","","","0.0784","0.0822","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211481","17.7","0.001","5.2952","0.0003","15.8343","0.0009","90","","90","","90","","1484.07","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","7-Bromo-1-methylsulfanyl-2-phenylnaphtho[2,1-b]furan","","- C19 H13 Br O S -","- C19 H13 Br O S -","- C76 H52 Br4 O4 S4 -","4","1","IS2115","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","7-Bromo-1-methylsulfanyl-2-phenylnaphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2006","62","12","o5876","o5877","10.1107/S1600536806050501","","","0.71073","MoKα","","0.0216","0.0199","","","0.0479","0.0483","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211518","25.181","0.0013","8.304","0.005","8.878","0.008","90","","90","","90","","1856","2","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","5,5a-Diallyl-5,5a,13,14-tetrahydro-12H-di-1,3- benzimidazolo[1,2-a;1',2'-c][1,4]diazepine","","- C23 H24 N4 -","- C23 H24 N4 -","- C92 H96 N16 -","4","1","LH2246","Sema Öztürk Yıldırım; Mehmet Akkurt; Ülkü Yılmaz; Hasan Küçükbay; Vickie McKee","5,5a-Diallyl-5,5a,13,14-tetrahydro-12<i>H</i>-di-1,3-benzimidazolo[1,2-<i>a</i>;1',2'-<i>c</i>][1,4]diazepine","Acta Crystallographica Section E","2006","62","12","o5697","o5698","10.1107/S1600536806048690","","","0.71069","MoKα","","0.0369","0.0331","","","0.0853","0.0885","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211584","19.076","0.003","7.6881","0.001","32.241","0.004","90","","90","","90","","4728.4","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Isopropylamino-1-phenyl-1H-imidazol-5(4H)-one","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C192 H240 N48 O16 -","16","4","RZ2090","Li, Hong-Xia; Gao, Hai-Tao; Ding, Ming-Wu; Zeng, Xiao-Hua","2-Isopropylamino-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5704","o5706","10.1107/S1600536806048392","","","0.71073","MoKα","","0.0769","0.058","","","0.1297","0.1393","","","","","","1.104","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211801","12.5265","0.0015","10.7003","0.0013","13.9454","0.0013","90","","90","","90","","1869.2","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(1R,2S,3R,6S,7R,8S)-Tricyclo[6.2.1.0^2,7^]undeca-4,9-diene-3,6-diol","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","2","ER2024","Banister, Samuel D.; Clegg, Jack K.; Coster, Mark J.; Jolliffe, Katrina A.; Kassiou, Michael","(1<i>R</i>,2<i>S</i>,3<i>R</i>,6<i>S</i>,7<i>R</i>,8<i>S</i>)-Tricyclo[6.2.1.0^2,7^]undeca-4,9-diene-3,6-diol","Acta Crystallographica Section E","2007","63","1","o92","o93","10.1107/S1600536806051002","","","0.71073","MoKα","","0.0736","0.0516","","","0.1089","0.1182","","","","","","1.027","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211826","13.177","0.003","16.289","0.003","8.428","0.0017","90","","90","","90","","1809","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(2H-1,2,3-Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol","","- C20 H25 N3 O -","- C20 H25 N3 O -","- C80 H100 N12 O4 -","4","1","HB2219","Xing, Zhi-Tao; Ding, Wei-Lin; Wang, Pin-Liang; Han, Feng; Wang, Hai-Bo","2-(2<i>H</i>-1,2,3-Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol","Acta Crystallographica Section E","2007","63","1","o49","o50","10.1107/S1600536806051191","","","0.71073","MoKα","","0.1268","0.0631","","","0.1149","0.137","","","","","","0.951","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212330","13.6756","0.0008","7.371","0.0005","7.42","0.0005","90","","90","","90","","747.96","0.08","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[dichlorozinc(II)]-μ-cyanoguanidine]","","- C2 H4 Cl2 N4 Zn -","- C2 H4 Cl2 N4 Zn -","- C8 H16 Cl8 N16 Zn4 -","4","1","PK2001","Ritche, Lyndsey K.; Harrison, William T. A.","<i>catena</i>-Poly[[dichlorozinc(II)]-μ-cyanoguanidine]","Acta Crystallographica Section E","2007","63","2","m617","m618","10.1107/S1600536807003807","","","0.71073","MoKα","","0.0281","0.0264","","","0.0701","0.0711","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212331","14.5275","0.0017","17.093","0.0015","5.995","0.0005","90","","90","","90","","1488.7","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2E)-3-(6-Methoxy-2-naphthyl)-1-phenylprop-2-en-1-one","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","PV2001","Yathirajan, H. S.; Mayekar, Anil N.; Sarojini, B.K.; Narayana, B.; Bolte, Michael","(2<i>E</i>)-3-(6-Methoxy-2-naphthyl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o1012","o1013","10.1107/S1600536807004254","","","0.71073","MoKα","","0.0454","0.0398","","","0.0935","0.0965","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212888","15.9617","0.0003","9.5265","0.0002","9.3697","0.0002","90","","90","","90","","1424.75","0.05","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2'-(1<i>H</i>-Indol-3-ylmethylene)benzenesulfonohydrazide","","- C15 H13 N3 O2 S -","- C15 H13 N3 O2 S -","- C60 H52 N12 O8 S4 -","4","1","HB2309","Ali, Hapipah M.; Yusnita, Juahir; Wan Jefrey, Basirun; Ng, Seik Weng","2'-(1<i>H</i>-Indol-3-ylmethylene)benzenesulfonohydrazide","Acta Crystallographica Section E","2007","63","4","o1621","o1622","10.1107/S1600536807009518","","","0.71073","MoKα","","0.0254","0.0247","","","0.073","0.0737","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212912","9.1421","0.0006","11.5978","0.0007","17.1379","0.0015","90","","90","","90","","1817.1","0.2","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Diethyl 2-[morpholin-4-yl(phenyl)methyl]malonate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","HG2187","Mehmet Akkurt; Sema Öztürk Yıldırım; Oumaima T. Benjelloun; Najib Ben Larbi; Taibi Ben Hadda; Orhan Büyükgüngör","Diethyl 2-[(morpholin-4-yl)(phenyl)methyl]malonate","Acta Crystallographica Section E","2007","63","4","o1656","o1657","10.1107/S1600536807010380","","","0.71073","MoKα","","0.0526","0.0408","","","0.1058","0.1118","","","","","","0.997","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213273","10.753","0.001","10.8059","0.001","10.0883","0.0011","90","","90","","90","","1172.2","0.2","299","2","299","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(3-methylphenyl)-2,2,2-trimethylacetamide","","- C12 H17 N O -","- C12 H17 N O -","- C48 H68 N4 O4 -","4","1","DN2148","Gowda, B. Thimme; Kozisek, Jozef; Tokarčík, Miroslav; Fuess, Hartmut","2,2,2-Trimethyl-<i>N</i>-(3-methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","5","o2073","o2074","10.1107/S1600536807013992","","","0.71073","MoKα","","0.0749","0.041","","","0.0936","0.1025","","","","","","0.882","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213280","10.778","0.001","10.623","0.001","10.117","0.002","90","","90","","90","","1158.3","0.3","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","N-(3-chlorophenyl)-2,2,2-trimethylacetamide","<i>N</i>-(3-Chlorophenyl)-2,2,2-trimethylacetamide","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C44 H56 Cl4 N4 O4 -","4","1","DN2158","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(3-Chlorophenyl)-2,2,2-trimethylacetamide","Acta Crystallographica Section E","2007","63","5","o2331","o2332","10.1107/S1600536807015462","","","1.5418","CuKα","","0.1883","0.0708","","","0.1111","0.1529","","","","","","0.986","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213332","15.602","0.003","7.7795","0.0014","9.9721","0.0018","90","","90","","90","","1210.4","0.4","291","2","291","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2'-hydroxyacetophenone furan-2-carbohydrazide","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","HB2340","Xi-Shi Tai; Jie Yin; Yi-Min Feng","2'-Hydroxyacetophenone furan-2-carbohydrazide","Acta Crystallographica Section E","2007","63","5","o2267","o2268","10.1107/S160053680701358X","","","0.71073","MoKα","","0.0727","0.0603","","","0.1279","0.1327","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213353","7.6838","0.001","7.4659","0.0009","33.322","0.004","90","","90","","90","","1911.6","0.4","292","2","292","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4a,5-Dihydro-2H-chromeno[4,3-c]pyridazin-3(4H)-one","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","2","HB2364","Zhong-Zhen Zhou; Hong-Bin Zhou","4a,5-Dihydro-2<i>H</i>-chromeno[4,3-<i>c</i>]pyridazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2007","63","5","o2512","o2512","10.1107/S1600536807017837","","","0.71073","MoKα","","0.0977","0.0569","","","0.1462","0.1786","","","","","","1.003","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213366","13.9016","0.0001","5.8655","0.0001","8.5928","0.0001","90","","90","","90","","700.655","0.015","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1H-indole-3-carbaldehyde","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","HB2388","Ng, Seik Weng","Low-temperature redetermination of 1<i>H</i>-indole-3-carbaldehyde","Acta Crystallographica Section E","2007","63","5","o2732","o2732","10.1107/S1600536807019915","","","0.71073","MoKα","","0.044","0.036","","","0.091","0.096","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213391","11.8655","0.001","10.9961","0.0009","22.5449","0.0018","90","","90","","90","","2941.5","0.4","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-poly[[[hexa-μ~2~-hydroxido-hexa-μ~3~-oxido-decaoxido- chromium(III)hexamolybdenum(IV)]-μ~2~-oxido-[heptaaquaneodymium(III)]- μ~2~-oxido] tetrahydrate]","","- Cr H22 Mo6 Nd O35 -","- Cr H22 Mo6 Nd O35 -","- Cr4 H88 Mo24 Nd4 O140 -","4","1","HK2201","Da-Peng Zhou; Dong Yang","A new chain-like polyoxometallate based on B-Anderson-type building blocks and rare earth metal ion linkers","Acta Crystallographica Section E","2007","63","5","i113","i115","10.1107/S1600536807007787","","","0.71073","MoKα","","0.0233","0.0223","","","0.0583","0.0588","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213533","14.801","0.006","4.8325","0.0019","18.624","0.008","90","","90","","90","","1332.1","0.9","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-[3-(3-Methoxybenzoyl)thioureido]propionic acid","","- C12 H14 N2 O4 S -","- C12 H14 N2 O4 S -","- C48 H56 N8 O16 S4 -","4","1","SA2048","Othman, Eliyanti A.; Arif, M. Asyikin M.; Yamin, Bohari M.","3-[3-(3-Methoxybenzoyl)thioureido]propionic acid","Acta Crystallographica Section E","2007","63","5","o2436","o2437","10.1107/S1600536807017667","","","0.71073","MoKα","","0.04","0.035","","","0.083","0.085","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213647","11.654","0.006","11.335","0.006","9.711","0.005","90","","90","","90","","1282.8","1.2","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-Methyl-N-phenylpiperidine-1-thioamide","","- C13 H18 N2 S -","- C13 H18 N2 S -","- C52 H72 N8 S4 -","4","1","AT2285","Li-You Zhou","4-Methyl-<i>N</i>-phenylpiperidine-1-thioamide","Acta Crystallographica Section E","2007","63","6","o2848","o2848","10.1107/S1600536807021691","","","0.71073","MoKα","","0.0642","0.0383","","","0.0833","0.0964","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213826","14.122","0.003","8.088","0.0016","25.343","0.005","90","","90","","90","","2894.6","1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,10,12-Trimethyl-12H-5,7-dioxa-6-thiadibenzo[a,d]cyclooctene 6-oxide","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C128 H128 O24 S8 -","8","2","HK2239","Dong, Su-Lan; Xu, Bing; Feng, Zhi-Qiang; Wang, Jin-Tang","2,10,12-Trimethyl-12<i>H</i>-5,7-dioxa-6-thiadibenzo[<i>a</i>,<i>d</i>]cyclooctene 6-oxide","Acta Crystallographica Section E","2007","63","6","o2992","","10.1107/S1600536807023859","","","0.71073","MoKα","","0.1121","0.054","","","0.098","0.1156","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213973","9.0609","0.0009","8.6714","0.0012","27.0214","0.0019","90","","90","","90","","2123.1","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(2-Ammonioethylaminocarbonyl)benzoate hemihydrate","","- C10 H13 N2 O3.5 -","- C10 H13 N2 O3.5 -","- C80 H104 N16 O28 -","8","2","SJ2313","D. Chellappa; S. Chitralekha; D. Sakthilatha; S. Athimoolam; S. Natarajan","2-[(2-Ammonioethyl)aminocarbonyl]benzoate hemihydrate","Acta Crystallographica Section E","2007","63","6","o2875","o2876","10.1107/S1600536807021599","","","0.71073","MoKα","","0.0788","0.0503","","","0.1347","0.1525","","","","","","1.154","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214012","19.7872","0.0013","10.8571","0.001","13.5055","0.0008","90","","90","","90","","2901.4","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,2',2''-Nitrilotris(ethylammonium) tetrathioantimonate","","- C6 H21 N4 S4 Sb -","- C6 H21 N4 S4 Sb -","- C48 H168 N32 S32 Sb8 -","8","2","ZL2025","Poisot, Martha; Näther, Christian; Bensch, Wolfgang","2,2',2''-Nitrilotris(ethylammonium) tetrathioantimonate","Acta Crystallographica Section E","2007","63","6","m1751","m1752","10.1107/S160053680702394X","","","0.71073","MoKα","","0.0399","0.0248","","","0.0611","0.065","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214252","10.824","0.002","15.204","0.003","8.93","0.0018","90","","90","","90","","1469.6","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 3-carboxy-7-(tert-butoxycarbonyl)-4,7-diazaheptanoate","","- C12 H22 N2 O6 -","- C12 H22 N2 O6 -","- C48 H88 N8 O24 -","4","1","HK2260","Xu, Jia-Ying; Wu, Zhen-Yi; Wu, Wen-Yuan; Tian, Wen-Wen; Wang, Jin-Tang","Methyl 3-carboxy-7-(<i>tert</i>-butoxycarbonyl)-4,7-diazaheptanoate","Acta Crystallographica Section E","2007","63","7","o3079","o3079","10.1107/S1600536807025871","","","0.71073","MoKα","","0.0981","0.0574","","","0.1029","0.1293","","","","","","0.898","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214386","14.957","0.011","8.268","0.005","7.795","0.005","90","","90","","90","","964","1.1","298","1","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Methyl-4-methylsulfonyl-2-nitrobenzene","","- C8 H9 N O4 S -","- C8 H9 N O4 S -","- C32 H36 N4 O16 S4 -","4","1","SG2167","Qing-An Wu; Wei-Ming Fang; Da-Wei Luo; Zhen-Yuan Xu","1-Methyl-4-methylsulfonyl-2-nitrobenzene","Acta Crystallographica Section E","2007","63","7","o3320","o3320","10.1107/S1600536807027845","","","0.71075","MoKα","","","0.0325","","","","0.077","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214426","13.7911","0.0014","12.7032","0.0013","9.9329","0.001","90","","90","","90","","1740.2","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[N,N'-Bis(6-methoxysalicylidene)-1,3-diaminopropane]copper(II)","{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II)","","- C19 H20 Cu N2 O4 -","- C19 H20 Cu N2 O4 -","- C76 H80 Cu4 N8 O16 -","4","1","WM2129","Habibi, Mohammad Hossein; Mokhtari, Reza; Harrington, Ross W.; Clegg, William","[<i>N</i>,<i>N</i>'-Bis(6-methoxysalicylidene)-1,3-diaminopropane]copper(II)","Acta Crystallographica Section E","2007","63","7","m1998","m1998","10.1107/S1600536807030723","","","0.71073","MoKα","","0.0296","0.0235","","","0.0594","0.0632","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214448","13.131","0.004","5.7841","0.0015","30.046","0.008","90","","90","","90","","2282","1.1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","4-(1-Phenylethyl)benzene-1,3-diol","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","2","XU2265","Zhi-Yun Du; Xue-Tao Xu; Kun Zhang; Bao-Hua Huang; Yan-Xiong Fang","4-(1-Phenylethyl)benzene-1,3-diol","Acta Crystallographica Section E","2007","63","7","o3217","o3217","10.1107/S1600536807026517","","","0.71073","MoKα","","0.07","0.039","","","0.09","0.103","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214528","9.9885","0.0002","9.0509","0.0001","19.0182","0.0003","90","","90","","90","","1719.34","0.05","297","","297","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Benzimidazolium perchlorate","","- C7 H7 Cl N2 O4 -","- C7 H7 Cl N2 O4 -","- C56 H56 Cl8 N16 O32 -","8","2","BQ2032","Sieroń, Lesław","Benzimidazolium perchlorate","Acta Crystallographica Section E","2007","63","8","o3585","o3585","10.1107/S1600536807035428","","","0.71073","MoKα","","0.0438","0.0405","","","0.1083","0.1121","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214573","30.4738","0.0014","8.8963","0.0004","6.915","0.0003","90","","90","","90","","1874.68","0.15","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","CETTM-TTF","2,3-Bis(2-cyanoethylsulfanyl)-6,7-tetramethylenetetrathiafulvalene","","- C16 H16 N2 S6 -","- C16 H16 N2 S6 -","- C64 H64 N8 S24 -","4","1","CF2117","Legros, Jean-Pierre; Fabre, Jean-Marc; Kaboub, Lakhemici","2,3-Bis(2-cyanoethylsulfanyl)-6,7-tetramethylenetetrathiafulvalene","Acta Crystallographica Section E","2007","63","8","o3572","o3572","10.1107/S1600536807034873","","","0.71073","MoKα","","0.0317","0.0259","","","0.0498","0.0511","","","","","","0.963","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214663","9.5632","0.0019","9.3715","0.0019","16.089","0.003","90","","90","","90","","1441.9","0.5","295","2","295","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","5,11,11-Trimethyl-11<i>H</i>-benzo[<i>a</i>]fluorene","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","GK2079","Li, Shu-Hong; Xu, Cai-Hong","5,11,11-Trimethyl-11<i>H</i>-benzo[<i>a</i>]fluorene","Acta Crystallographica Section E","2007","63","8","o3658","o3658","10.1107/S1600536807034320","","","0.71073","MoKα","","0.0557","0.0381","","","0.0638","0.0672","","","","","","1.066","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214667","9.498","0.0009","15.6393","0.0011","7.8578","0.0007","90","","90","","90","","1167.21","0.17","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Chloro-1-(3-methyl-3-phenylcyclobutyl)ethanone","","- C13 H15 Cl O -","- C13 H15 Cl O -","- C52 H60 Cl4 O4 -","4","1","GW2017","Dinçer, Muharrem; Özdemir, Namık; Yılmaz, İbrahim; Büyükgüngör, Orhan","2-Chloro-1-(3-methyl-3-phenylcyclobutyl)ethanone","Acta Crystallographica Section E","2007","63","8","o3489","o3489","10.1107/S160053680703317X","","","0.71073","MoKα","","0.0352","0.0299","","","0.0696","0.0713","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214826","19.301","0.004","14.725","0.003","18.583","0.004","90","","90","","90","","5281.4","1.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(Benzylideneacetyl)-2-phenyl-1,2,3,5,10,10a-hexahydro- 1<i>H</i>-pyrrolo[1,2-<i>b</i>]isoquinoline-3-spiro-3'(2'<i>H</i>)-1<i>H</i>- indol-3'-one","","- C34 H28 N2 O2 -","- C34 H28 N2 O2 -","- C272 H224 N16 O16 -","8","2","PR2006","D. Gayathri; R. M. Sethukkarasi; D. Velmurugan; K. Ravikumar; G. Periyasami","1-(Benzylideneacetyl)-2-phenyl-1,2,3,5,10,10a-hexahydro-1<i>H</i>-pyrrolo[1,2-<i>b</i>]isoquinoline-3-spiro-3'(2'<i>H</i>)-1<i>H</i>-indol-3'-one","Acta Crystallographica Section E","2007","63","8","o3490","o3490","10.1107/S160053680703348X","","","0.71073","MoKα","","0.0624","0.0501","","","0.1153","0.1221","","","","","","1.12","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2214986","13.677","0.002","12.7319","0.0018","9.8561","0.0014","90","","90","","90","","1716.3","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[<i>N</i>,<i>N</i>'-Bis(6-methoxysalicylidene)-1,3-diaminopropane]nickel(II)","{3,3'-dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","","- C19 H20 N2 Ni O4 -","- C19 H20 N2 Ni O4 -","- C76 H80 N8 Ni4 O16 -","4","1","BI2225","Habibi, Mohammad Hossein; Mokhtari, Reza; Harrington, Ross W.; Clegg, William","[<i>N</i>,<i>N</i>'-Bis(6-methoxysalicylidene)-1,3-diaminopropane]nickel(II)","Acta Crystallographica Section E","2007","63","9","m2304","m2304","10.1107/S1600536807038482","","","0.71073","MoKα","","0.0538","0.0374","","","0.0894","0.101","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215004","17.321","0.004","5.4295","0.0012","24.6","0.005","90","","90","","90","","2313.5","0.9","123","","123","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(2E)-1-(3-Bromothien-2-yl)-3-phenylprop-2-en-1-one","","- C13 H9 Br O S -","- C13 H9 Br O S -","- C104 H72 Br8 O8 S8 -","8","2","BT2454","Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Ashalatha, B. V.; Narayana, B.","(2<i>E</i>)-1-(3-Bromothien-2-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","9","o3705","o3706","10.1107/S1600536807037841","","","0.71073","MoKα","","0.0941","0.0689","","","0.1648","0.1783","","","","","","0.992","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2215064","10.115","0.0015","4.7969","0.0007","20.033","0.003","90","","90","","90","","972","0.2","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-<i>N</i>'-(3-Thienylmethylene)furan-2-carbohydrazide","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","1","CI2444","Jing, Zuo-Liang; Yu, Ming; Chen, Xin","(<i>E</i>)-<i>N</i>'-(3-Thienylmethylene)furan-2-carbohydrazide","Acta Crystallographica Section E","2007","63","9","o3899","o3899","10.1107/S1600536807041293","","","0.71073","MoKα","","0.0251","0.023","","","0.0624","0.0646","","","","","","1.113","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215159","7.9571","0.0006","17.7596","0.0013","7.7258","0.0006","90","","90","","90","","1091.77","0.14","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","potassium salt of salicylidene-β-hydroxyalanine","poly[[μ-3-hydroxy-2-(2-hydroxybenzylideneamino)propionato]potassium]","","- C10 H10 K N O4 -","- C10 H10 K N O4 -","- C40 H40 K4 N4 O16 -","4","1","HK2286","Xu-Sheng Gao; Yong-Min Wan; Zhi-Fang Lv; Yuan-Xiang Shi; Jin-Tang Wang","Potassium salt of salicylidene-β-hydroxyalanine","Acta Crystallographica Section E","2007","63","9","m2370","m2370","10.1107/S1600536807040329","","","0.71073","MoKα","","0.0262","0.0244","","","0.0646","0.0677","","","","","","1.064","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215230","12.4401","0.0003","5.748","0.0002","11.042","0.0003","90","","90","","90","","789.57","0.04","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Morpholinium tetraoxidorhenate(VII)","","- C4 H10 N O5 Re -","- C4 H10 N O5 Re -","- C16 H40 N4 O20 Re4 -","4","1","NG2306","Grigoriev, Mikhail S.; German, Konstantin E.; Maruk, Alesia Ya.","Morpholinium tetraoxidorhenate(VII)","Acta Crystallographica Section E","2007","63","9","m2355","m2355","10.1107/S1600536807039608","","","0.71073","MoKα","","0.0107","0.0096","","","0.0197","0.0199","","","","","","0.944","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215467","27.3272","0.0015","4.8389","0.0003","21.6639","0.0012","90","","90","","90","","2864.7","0.3","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-methoxy-N-[(1E)-(2-nitrophenyl)methylene]benzhydrazide","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C120 H104 N24 O32 -","8","2","FI2043","Jian-Guo Chang; Guo-Fang He; Yan-Fei Li","4-Methoxy-<i>N</i>-[(1<i>E</i>)-(2-nitrophenyl)methylene]benzhydrazide","Acta Crystallographica Section E","2007","63","10","o3997","o3997","10.1107/S1600536807043085","","","0.71073","MoKα","","0.0519","0.0366","","","0.0858","0.0939","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215493","20.928","0.003","4.898","0.002","22.869","0.002","90","","90","","90","","2344.2","1","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","Trimethoprim 3,5-dinitrosalicylate","2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium 2-hydroxy-3,5-dinitrobenzoate","","- C21 H22 N6 O10 -","- C21 H22 N6 O10 -","- C84 H88 N24 O40 -","4","1","HB2509","Annamalai Subashini; Ebenezer Samuel; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni","Trimethoprimium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2007","63","10","o4049","o4049","10.1107/S160053680704189X","","","1.54178","CuKα","","0.1901","0.0635","","","0.1082","0.1518","","","","","","0.923","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215521","6.151","0.0008","7.2726","0.0009","27.914","0.004","90","","90","","90","","1248.7","0.3","292","2","292","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(4-Bromobenzylidene)-4-methoxyaniline","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","HB2554","Ma, Rui; Hou, Yubang; Yong, Xuejian; Cen, Yunbin","<i>N</i>-(4-Bromobenzylidene)-4-methoxyaniline","Acta Crystallographica Section E","2007","63","10","o4188","o4188","10.1107/S1600536807046855","","","0.71073","MoKα","","0.1097","0.0635","","","0.1066","0.1213","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215736","14.4986","0.0013","13.9962","0.0014","5.9375","0.0008","90","","90","","90","","1204.9","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Chloro-N-(3,4-methylenedioxybenzyl)aniline","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","AT2429","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao","4-Chloro-<i>N</i>-(3,4-methylenedioxybenzyl)aniline","Acta Crystallographica Section E","2007","63","11","o4403","o4403","10.1107/S1600536807051732","","","0.71073","MoKα","","0.0944","0.0562","","","0.1169","0.1301","","","","","","0.914","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215737","14.6264","0.0013","14.265","0.0012","5.9752","0.0008","90","","90","","90","","1246.7","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Bromo-N-(3,4-methylenedioxybenzyl)aniline","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","AT2430","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao","4-Bromo-<i>N</i>-(3,4-methylenedioxybenzyl)aniline","Acta Crystallographica Section E","2007","63","11","o4404","o4404","10.1107/S1600536807051744","","","0.71073","MoKα","","0.0648","0.0447","","","0.0992","0.1062","","","","","","1.056","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215749","25.4158","0.0015","3.9662","0.0003","12.6046","0.001","90","","90","","90","","1270.6","0.16","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2E)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","AT2447","Sarojini, B. K.; Yathirajan, H. S.; Mustafa, K.; Sarfraz, H.; Bolte, Michael","(2<i>E</i>)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","11","o4477","o4477","10.1107/S1600536807052737","","","0.71073","MoKα","","0.0384","0.0356","","","0.0898","0.0915","","","","","","1.066","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215758","8.6095","0.0017","12.322","0.003","14.342","0.003","90","","90","","90","","1521.5","0.6","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-Poly[silver(I)-μ-4-aminobenzenesulfonato-μ-2,3-diethylpyrazine]","","- C14 H18 Ag N3 O3 S -","- C14 H18 Ag N3 O3 S -","- C56 H72 Ag4 N12 O12 S4 -","4","1","BG2112","Hai-Yan Liu; Ji-Cheng Ma; Jin Yang","<i>catena</i>-Poly[silver(I)-μ-4-aminobenzenesulfonato-μ-2,3-diethylpyrazine]","Acta Crystallographica Section E","2007","63","11","m2707","m2707","10.1107/S160053680704901X","","","0.71073","MoKα","","0.0458","0.0336","","","0.0736","0.0792","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215854","25.273","0.004","9.5496","0.0018","11.115","0.002","90","","90","","90","","2682.6","0.8","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-tert-Butyl-2-{[(E)-2,6-diisopropylphenylimino]methyl}-6-(1-phenylethyl)phenol","","- C31 H39 N O -","- C31 H39 N O -","- C124 H156 N4 O4 -","4","1","CS2047","Jin Cui; Mingjie Zhang; Jie Zhu; Naijing Cui; Bo Liu","4-<i>tert</i>-Butyl-2-{[(<i>E</i>)-2,6-diisopropylphenylimino]methyl}-6-(1-phenylethyl)phenol","Acta Crystallographica Section E","2007","63","11","o4400","o4400","10.1107/S1600536807051306","","","0.71073","MoKα","","0.0585","0.0375","","","0.0894","0.1049","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215934","28.903","0.006","8.6828","0.0018","6.79","0.0014","90","","90","","90","","1704","0.6","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Aminopyridinium 2-hydroxy-2,2-diphenylacetate monohydrate","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","HB2562","Li, Jie","3-Aminopyridinium 2-hydroxy-2,2-diphenylacetate monohydrate","Acta Crystallographica Section E","2007","63","11","o4238","o4238","10.1107/S160053680704785X","","","0.71073","MoKα","","0.0442","0.0376","","","0.0834","0.0855","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215981","11.8025","0.0004","14.9842","0.0004","8.7569","0.0003","90","","90","","90","","1548.67","0.09","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","{3-Hydroxymethyl-1-[2-(3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]hept-5-en-2- yl}methanol","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","HG2310","Ya-Wen Wang; Yu Peng","{3-Hydroxymethyl-1-[2-(3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl}methanol","Acta Crystallographica Section E","2007","63","11","o4352","o4352","10.1107/S1600536807050234","","","0.71073","MoKα","","0.0375","0.0324","","","0.0806","0.0835","","","","","","1.077","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216022","12.3567","0.0006","11.2675","0.0005","20.4103","0.0012","90","","90","","90","","2841.7","0.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-Benzylidene-2,3-dihydro-1H-benzo[f]chromen-1-one","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","2","IS2219","A. Marx; V. Manivannan; R. Suresh; Charles Christopher Kanagam; Büyükgüngör, Orhan","2-Benzylidene-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","Acta Crystallographica Section E","2007","63","11","o4383","o4383","10.1107/S1600536807050258","","","0.71073","MoKα","","0.05","0.0321","","","0.0584","0.0612","","","","","","0.943","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216173","23.719","0.003","4.9052","0.0018","12.353","0.002","90","","90","","90","","1437.2","0.6","291","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-1,3-Benzodioxole-5-carbaldehyde 4-nitrophenylhydrazone","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","XU2338","Yin, Zhi-Gang; Qian, Heng-Yu; Hu Jie; Feng Yu-Li","(<i>E</i>)-1,3-Benzodioxole-5-carbaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section E","2007","63","11","o4406","o4406","10.1107/S1600536807051719","","","0.71073","MoKα","","0.0801","0.0508","","","0.0824","0.0884","","","","","","1.071","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216296","19.0061","0.0007","5.0646","0.0003","12.6534","0.0004","90","","90","","90","","1217.99","0.09","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(2E)-3-(2-Chlorophenyl)-1-phenylprop-2-en-1-one","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","BT2586","Jasinski, Jerry P.; Butcher, Ray J.; Lakshmana, K.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-3-(2-Chlorophenyl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","12","o4715","o4715","10.1107/S1600536807058011","","","0.71073","MoKα","","0.0644","0.036","","","0.0798","0.0865","","","","","","0.956","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216445","11.1738","0.0002","7.8011","0.0001","15.5424","0.0002","90","","90","","90","","1354.8","0.03","292","","292","","","","","","","","","6","P c a 21","P 2c -2ac","29","","sulfatotris(thiourea)zinc(II)","","- C3 H12 N6 O4 S4 Zn -","- C3 H12 N6 O4 S4 Zn -","- C12 H48 N24 O16 S16 Zn4 -","4","1","FJ2074","Krupková, Radmila; Fábry, Jan; Císařová, Ivana; Vaněk, Přemysl","Redetermination of sulfatotris(thiourea)zinc(II)","Acta Crystallographica Section E","2007","63","12","m3177","m3178","10.1107/S1600536807060497","","","0.71073","MoKα","","0.0214","0.0204","","","0.0531","0.0534","","","","","","1.77","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2216521","10.209","0.002","13.87","0.003","13.583","0.003","90","","90","","90","","1923.3","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[bis(1-ethylimidazole-κN^3^)zinc(II)]-μ-phthalato-κ^2^O^1^:O^2^]","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C72 H72 N16 O16 Zn4 -","4","1","HG2326","Rong-Xun Li; Shao-Xiang Li; Qi-Ye Wu; Guang-Ye Liu; Fa-Qian Liu","<i>catena</i>-Poly[[bis(1-ethylimidazole-κ<i>N</i>^3^)zinc(II)]-μ-phthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^]","Acta Crystallographica Section E","2007","63","12","m2875","m2875","10.1107/S1600536807053159","","","0.71073","MoKα","","0.0858","0.0597","","","0.1622","0.1825","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216662","13.065","0.008","9.861","0.004","22.731","0.009","90","","90","","90","","2929","2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Bis(glycine) calcium(II) diiodide trihydrate","catena-Poly[[[triaquacalcium(II)]-di-μ-glycine-κ^4^O:O'] diiodide]","","- C4 H16 Ca I2 N2 O7 -","- C4 H16 Ca I2 N2 O7 -","- C32 H128 Ca8 I16 N16 O56 -","8","2","NC2061","S. Natarajan; G. Shanmugam; S. A. Martin Britto Dhas; S. Athimoolam","<i>catena</i>-Poly[[[triaquacalcium(II)]-di-μ-glycine-κ^4^<i>O</i>:<i>O</i>'] diiodide]","Acta Crystallographica Section E","2007","63","12","m2897","m2898","10.1107/S1600536807051884","","","0.71073","MoKα","","0.0283","0.0202","","","0.0544","0.0569","","","","","","1.11","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216778","11.062","0.0013","10.2689","0.0013","8.0586","0.0008","90","","90","","90","","915.41","0.18","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","N-(2-fluorophenyl)succinimide","1-(2-fluorophenyl)pyrrolidine-2,5-dione","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C40 H32 F4 N4 O8 -","4","1","SJ2405","Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","A redetermination of 1-(2-fluorophenyl)pyrrolidine-2,5-dione","Acta Crystallographica Section E","2007","63","12","o4669","o4670","10.1107/S1600536807056140","","","0.71073","MoKα","","0.0376","0.0324","","","0.0925","0.0952","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216787","17.6356","0.0014","8.4593","0.0006","9.3809","0.0006","90","","90","","90","","1399.49","0.17","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Methyl-N-(3-oxo-1,3-dihydroisobenzofuran-1-yl)benzenesulfonamide","","- C15 H13 N O4 S -","- C15 H13 N O4 S -","- C60 H52 N4 O16 S4 -","4","1","SJ2415","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","4-Methyl-<i>N</i>-(3-oxo-1,3-dihydroisobenzofuran-1-yl)benzenesulfonamide","Acta Crystallographica Section E","2007","63","12","o4730","o4730","10.1107/S1600536807057595","","","0.71073","MoKα","","0.0504","0.0414","","","0.1056","0.1102","","","","","","0.976","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216862","10.27","0.001","5.1994","0.0005","26.241","0.004","90","","90","","90","","1401.2","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,2-Bis(phenylphosphoryl)ethane","","- C14 H16 O2 P2 -","- C14 H16 O2 P2 -","- C56 H64 O8 P8 -","4","1","AT2477","Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael","1,2-Bis(phenylphosphoryl)ethane","Acta Crystallographica Section E","2008","64","1","o325","o325","10.1107/S160053680705739X","","","0.71073","MoKα","","0.0468","0.0383","","","0.0893","0.0927","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217424","11.2045","0.0002","7.8824","0.0001","15.796","0.0002","90","","90","","90","","1395.08","0.04","292","","292","","","","","","","","","7","P c a 21","P 2c -2ac","29","","(Tetraoxidoselenato-κO)tris(thiourea-κS)zinc(II)","","- C3 H12 N6 O4 S3 Se Zn -","- C3 H12 N6 O4 S3 Se Zn -","- C12 H48 N24 O16 S12 Se4 Zn4 -","4","1","BQ2062","Krupková, Radmila; Fábry, Jan; Císařová, Ivana; Vaněk, Přemysl","(Tetraoxidoselenato-κ<i>O</i>)tris(thiourea-κ<i>S</i>)zinc(II)","Acta Crystallographica Section E","2008","64","2","m342","m343","10.1107/S1600536808000743","","","0.71069","MoKα","","0.0234","0.0216","","","0.0493","0.0501","","","","","","1.52","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2217566","15.9132","0.0013","5.2298","0.0004","24.878","0.002","90","","90","","90","","2070.4","0.3","292","2","292","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ethyl 4-nitrophenylacetate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C80 H88 N8 O32 -","8","2","IS2259","Li, Ji; Liu, Jun; Peng, Hui-Qing","Ethyl 4-nitrophenylacetate","Acta Crystallographica Section E","2008","64","2","o443","o443","10.1107/S1600536807066184","","","0.71073","MoKα","","0.0954","0.0503","","","0.1063","0.1217","","","","","","1.006","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217573","22.277","0.01","6.892","0.003","7.58","0.003","90","","90","","90","","1163.8","0.9","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","5-(1<i>H</i>-Inden-2-yl)-1,3-benzodioxole","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","KP2152","Rui-Xue Deng; Wei-Yi Zhou; Xiao-Juan Deng; Liang-Dong Sun","5-(1<i>H</i>-Inden-2-yl)-1,3-benzodioxole","Acta Crystallographica Section E","2008","64","2","o492","o492","10.1107/S1600536808001578","","","0.71073","MoKα","","0.0437","0.032","","","0.0842","0.0913","","","","","","1.081","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217660","39.264","0.005","4.168","0.001","7.097","0.001","90","","90","","90","","1161.4","0.4","300","2","300","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","poly[aqua[μ-4-(4-chlorophenyl)-2-thioxo-2,3-dihydrothiazol-\ 3-olato]sodium(I)]","","- C9 H7 Cl N Na O2 S2 -","- C9 H7 Cl N Na O2 S2 -","- C36 H28 Cl4 N4 Na4 O8 S8 -","4","1","SJ2452","Hartung, Jens; Bachmann, Janina; Svoboda, Ingrid; Fuess, Hartmut","Poly[aqua[μ-4-(4-chlorophenyl)-2-thioxo-2,3-dihydrothiazol-3-olato]sodium(I)]","Acta Crystallographica Section E","2008","64","2","m299","m299","10.1107/S1600536807067736","","","0.71073","MoKα","","0.0954","0.0805","","","0.1679","0.1729","","","","","","1.2","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217663","16.82","0.003","6.8076","0.0014","8.6658","0.0017","90","","90","","90","","992.3","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[triaquacadmium(II)]-μ-pyridine-2,3-dicarboxylato- κ^3^N,O^2^:O^3^]","","- C7 H9 Cd N O7 -","- C7 H9 Cd N O7 -","- C28 H36 Cd4 N4 O28 -","4","1","SU2028","Aghabozorg, Hossein; Motyeian, Elham; Khadivi, Ramona; Ghadermazi, Mohammad; Manteghi, Faranak","<i>catena</i>-Poly[[triaquacadmium(II)]-μ-pyridine-2,3-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^]","Acta Crystallographica Section E","2008","64","2","m320","m321","10.1107/S160053680706850X","","","0.71073","MoKα","","0.0429","0.0286","","","0.0524","0.0561","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217707","10.4175","0.0007","18.5954","0.001","9.969","0.0006","90","","90","","90","","1931.2","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","succinylferrocene","1,4-Diferrocenylbutane-1,4-dione","","- C24 H22 Fe2 O2 -","- C24 H22 Fe2 O2 -","- C96 H88 Fe8 O8 -","4","1","AT2537","Tombul, Mustafa; Bulut, Adnan; Güven, Kutalmış; Büyükgüngör, Orhan","1,4-Diferrocenylbutane-1,4-dione","Acta Crystallographica Section E","2008","64","3","m444","m445","10.1107/S1600536808003218","","","0.71073","MoKα","","0.0483","0.0357","","","0.0719","0.0752","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217746","26.397","0.005","3.9211","0.0008","10.773","0.002","90","","90","","90","","1115.1","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(2-Hydroxybenzylideneamino)benzonitrile","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","CV2384","Xu, Hai-Jun; Gong, Xing-Xuan; Wang, Han","3-(2-Hydroxybenzylideneamino)benzonitrile","Acta Crystallographica Section E","2008","64","3","o638","","10.1107/S1600536808005242","","","0.71073","MoKα","","0.0912","0.0557","","","0.108","0.1212","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217831","11.9862","0.0006","11.6251","0.0006","7.1539","0.0004","90","","90","","90","","996.83","0.09","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-hydroxy-5-(4-methoxyphenyl)pyrrolidin-2-one","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","SJ2463","Mohammat, M. Fazli; Shaameri, Zurina; Hamzah, A. Sazali; Fun, Hoong-Kun; Chantrapromma, Suchada","4-Hydroxy-5-(4-methoxyphenyl)pyrrolidin-2-one","Acta Crystallographica Section E","2008","64","3","o578","o579","10.1107/S1600536808003899","","","0.71073","MoKα","","0.0661","0.0473","","","0.0981","0.1094","","","","","","1.091","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217939","24.822","0.002","3.8884","0.0002","10.8505","0.0007","90","","90","","90","","1047.27","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","7-Nitro-5H-thiochromeno[2,3-b]pyridin-5-one","7-Nitro-5H-1-benzothiopyrano[2,3-b]pyridin-5-one","","- C12 H6 N2 O3 S -","- C12 H6 N2 O3 S -","- C48 H24 N8 O12 S4 -","4","1","HK2433","Khan, Muhammad Naeem; Tahir, M. Nawaz; Khan, Misbahul Ain; Khan, Islam Ullah; Arshad, Muhammad Nadeem","7-Nitro-5<i>H</i>-1-benzothiopyrano[2,3-<i>b</i>]pyridin-5-one","Acta Crystallographica Section E","2008","64","4","o730","","10.1107/S1600536808007150","","","0.71073","MoKα","","0.0498","0.0363","","","0.0769","0.0827","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217941","7.3278","0.0006","8.1823","0.0008","15.4108","0.0019","90","","90","","90","","924","0.16","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(2-hydroxyethyl)phthalazin-1(2<i>H</i>)-one","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","HK2435","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa","2-(2-Hydroxyethyl)phthalazin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2008","64","4","o756","","10.1107/S1600536808007691","","","0.71073","MoKα","","0.109","0.0891","","","0.2296","0.2402","","","","","","1.902","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217974","8.254","0.0003","10.1578","0.0003","46.087","0.002","90","","90","","90","","3864","0.2","220","2","220","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Diethyl 2,5-bis[(E)-2-furylmethyleneamino]thiophene-3,4-dicarboxylate","","- C20 H18 N2 O6 S -","- C20 H18 N2 O6 S -","- C160 H144 N16 O48 S8 -","8","2","NG2429","Dufresne, Stéphane; Skene, W. G.","Diethyl 2,5-bis[(<i>E</i>)-2-furylmethyleneamino]thiophene-3,4-dicarboxylate","Acta Crystallographica Section E","2008","64","4","o710","","10.1107/S1600536808006612","","","1.54178","CuKα","","0.0324","0.0317","","","0.0864","0.0871","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217984","7.748","0.001","5.5946","0.0007","26.814","0.005","90","","90","","90","","1162.3","0.3","299","2","299","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-Bromophenyl benzoate","","- C13 H9 Br O2 -","- C13 H9 Br O2 -","- C52 H36 Br4 O8 -","4","1","OM2221","Gowda, B. Thimme; Foro, Sabine; Babitha, K. S.; Fuess, Hartmut","4-Bromophenyl benzoate","Acta Crystallographica Section E","2008","64","4","o771","","10.1107/S1600536808008167","","","1.5418","CuKα","","0.0673","0.0586","","","0.1605","0.1894","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218380","14.429","0.003","5.1258","0.001","30.679","0.006","90","","90","","90","","2269","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-[2-(1,3-Benzodioxol-5-yl)ethyl]-2-chloroacetamide","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C88 H96 Cl8 N8 O24 -","8","2","CV2412","Dong, Hui-Chao","<i>N</i>-[2-(1,3-Benzodioxol-5-yl)ethyl]-2-chloroacetamide","Acta Crystallographica Section E","2008","64","6","o1118","","10.1107/S1600536808014232","","","0.71073","MoKα","","0.0566","0.0348","","","0.0857","0.1099","","","","","","1.127","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218428","15.445","0.003","9.753","0.002","11.411","0.002","90","","90","","90","","1718.9","0.6","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-(1,3-Dibenzylimidazolidin-2-ylidene)malononitrile","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","HG2400","Feng, Xiao-Zhong; Yan, Fu-Feng; Li, Zhen-Ping","2-(1,3-Dibenzylimidazolidin-2-ylidene)malononitrile","Acta Crystallographica Section E","2008","64","6","o1120","","10.1107/S1600536808014025","","","0.71073","MoKα","","0.0547","0.0411","","","0.0933","0.1144","","","","","","1.127","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218460","16.7593","0.0018","18.12","0.0019","4.7834","0.0005","90","","90","","90","","1452.6","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,3-Diaminophenazine tetrahydrate","","- C12 H18 N4 O4 -","- C12 H18 N4 O4 -","- C48 H72 N16 O16 -","4","1","LH2601","Li, Xiao-Feng; An, Yan; Yin, Yan-Sheng","2,3-Diaminophenazine tetrahydrate","Acta Crystallographica Section E","2008","64","6","o1000","","10.1107/S1600536808009598","","","0.71073","MoKα","","0.0537","0.0478","","","0.126","0.1397","","","","","","1.139","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218624","18.494","0.004","12.4367","0.001","7.5255","0.0005","90","","90","","90","","1730.9","0.4","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Methyl 4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1<i>H</i>-imidazol-2-ylsulfanyl]butanoate","","- C19 H18 F N3 O2 S -","- C19 H18 F N3 O2 S -","- C76 H72 F4 N12 O8 S4 -","4","1","BX2140","Koch, Pierre; Bäuerlein, Christiane; Schollmeyer, Dieter; Laufer, Stefan","Methyl 4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1<i>H</i>-imidazol-2-ylsulfanyl]butanoate","Acta Crystallographica Section E","2008","64","7","o1183","o1184","10.1107/S1600536808016000","","","1.54178","CuKα","","0.0804","0.0758","","","0.1832","0.1882","","","","","","1.139","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218745","9.132","0.004","5.834","0.003","34.365","0.016","90","","90","","90","","1830.8","1.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","<i>N</i>,<i>N</i>'-bis(5-methylsalicylidene)-1,5-diamino-3-azapentane","4,4'-Dimethyl-2,2'-[(3-azapentane-1,5-diyl)bis(nitrilomethylidyne)]diphenol","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","IS2306","Dang, Fang-Fang; Wang, Xin-Wei; Yang, Qing-Cui; Han, Guo-Ping","4,4'-Dimethyl-2,2'-[(3-azapentane-1,5-diyl)bis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2008","64","7","o1352","","10.1107/S1600536808018837","","","0.71073","MoKα","","0.0434","0.0372","","","0.1032","0.1081","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218834","11.43","0.001","12.209","0.002","8.878","0.001","90","","90","","90","","1238.9","0.3","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Chloro-<i>N</i>-(3-chlorophenyl)benzamide","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","TK2274","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","2-Chloro-<i>N</i>-(3-chlorophenyl)benzamide","Acta Crystallographica Section E","2008","64","7","o1300","","10.1107/S1600536808018102","","","0.71073","MoKα","","0.064","0.038","","","0.099","0.139","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218899","12.8811","0.0005","3.8933","0.0003","13.3202","0.0009","90","","90","","90","","668.01","0.07","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","terephthalaldehyde","","- C8 H6 O2 -","- C8 H6 O2 -","- C32 H24 O8 -","4","1","BQ2093","Teng, Lei; Wang, Zhiguo","A polymorph of terephthalaldehyde","Acta Crystallographica Section E","2008","64","8","o1562","","10.1107/S1600536808022381","","","0.71073","MoKα","","0.0498","0.0424","","","0.1076","0.112","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218905","11.7982","0.0003","8.7206","0.0002","13.2474","0.0004","90","","90","","90","","1362.99","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl 2-acetonyl-4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","","- C13 H13 N O6 S -","- C13 H13 N O6 S -","- C52 H52 N4 O24 S4 -","4","1","BT2729","Ahmad, Matloob; Latif Siddiqui, Hamid; Zia-ur-Rehman, Muhammad; Tizzard, Graham John; Ahmad, Saeed","Methyl 2-acetonyl-4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","Acta Crystallographica Section E","2008","64","8","o1392","","10.1107/S1600536808019156","","","0.71073","MoKα","","0.0449","0.0398","","","0.0977","0.1004","","","","","","1.133","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218923","19.7694","0.0012","11.3986","0.0006","8.9751","0.0005","90","","90","","90","","2022.5","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,4-Diazoniabicyclo[2.2.2]octane bis(2-chlorobenzoate)","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","BX2155","Skovsgaard, Signe; Bond, Andrew D.","1,4-Diazoniabicyclo[2.2.2]octane bis(2-chlorobenzoate)","Acta Crystallographica Section E","2008","64","8","o1416","","10.1107/S1600536808020096","","","0.71073","MoKα","","0.0364","0.0326","","","0.0875","0.09","","","","","","1.065","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218924","21.3949","0.0004","4.8159","0.0001","12.5036","0.0003","90","","90","","90","","1288.32","0.05","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Chloro-<i>N</i>-(2,6-dichlorophenyl)benzamide","","- C13 H8 Cl3 N O -","- C13 H8 Cl3 N O -","- C52 H32 Cl12 N4 O4 -","4","1","BX2156","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Sowmya, B. P.; Fuess, Hartmut","2-Chloro-<i>N</i>-(2,6-dichlorophenyl)benzamide","Acta Crystallographica Section E","2008","64","8","o1493","","10.1107/S1600536808021223","","","0.71073","MoKα","","0.0301","0.0274","","","0.0723","0.0732","","","","","","1.079","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219014","6.6733","0.0005","19.894","0.0014","7.7254","0.0005","90","","90","","90","","1025.61","0.12","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl <i>N</i>'-[(<i>E</i>)-1-phenylethylidene]hydrazinecarboxylate","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","HB2751","Cheng, Xiang-Wei","Methyl <i>N</i>'-[(<i>E</i>)-1-phenylethylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2008","64","8","o1384","","10.1107/S1600536808019259","","","0.71073","MoKα","","0.0287","0.0276","","","0.0752","0.0764","","","","","","1.142","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2219042","17.1336","0.0015","9.8967","0.0009","12.191","0.001","90","","90","","90","","2067.2","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-(2-Benzamidophenyl)-4-(4-hydroxyphenyl)-5-methyl-4<i>H</i>-1,2,4- triazol-1-ium chloride","","- C22 H19 Cl N4 O2 -","- C22 H19 Cl N4 O2 -","- C88 H76 Cl4 N16 O8 -","4","1","HK2490","Arfan, Mohammad; Tahir, M. Nawaz; Khan, Rasool; Iqbal, Mohammad S.","3-(2-Benzamidophenyl)-4-(4-hydroxyphenyl)-5-methyl-4<i>H</i>-1,2,4-triazol-1-ium chloride","Acta Crystallographica Section E","2008","64","8","o1505","","10.1107/S160053680802148X","","","0.71073","MoKα","","0.0413","0.0343","","","0.0918","0.0973","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219185","19.33","0.004","11.44","0.002","16.39","0.003","90","","90","","90","","3624.4","1.2","298","2","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[diphenylpropyltin(IV)]-μ-chloroacetato-κ^2^O:O']","","- C17 H19 Cl O2 Sn -","- C17 H19 Cl O2 Sn -","- C136 H152 Cl8 O16 Sn8 -","8","2","WM2181","Amini, Mostafa M.; Hajiashrafi, Taraneh; Khavasi, Hamid Reza; Nematin Kharat, Ali","<i>catena</i>-Poly[[diphenylpropyltin(IV)]-μ-chloroacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2008","64","8","m1007","","10.1107/S160053680802028X","","","0.71073","MoKα","","","0.0446","","","","0.1233","","","","","","1.115","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219396","23.4451","0.0003","18.7712","0.0003","12.9657","0.0002","90","","90","","90","","5706.11","0.15","293","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-<i>n</i>-butylammonium 2-(3,5-di-<i>tert</i>-butyl-4-hydroxybenzylsulfanyl)nicotinate","","- C29 H46 N2 O3 S -","- C29 H46 N2 O3 S -","- C232 H368 N16 O24 S8 -","8","2","LH2682","Mansor, Shahirah; Yehye, Wagee A.; Ariffin, Azhar; Rahman, Noorsaadah Abdul; Ng, Seik Weng","Di-<i>n</i>-butylammonium 2-(3,5-di-<i>tert</i>-butyl-4-hydroxybenzylsulfanyl)nicotinate","Acta Crystallographica Section E","2008","64","9","o1799","","10.1107/S1600536808026202","","","0.71073","MoKα","","0.0658","0.0461","","","0.0965","0.1099","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219444","7.91","0.002","12.601","0.003","15.23","0.004","90","","90","","90","","1518","0.7","294","","","","","","","","","","","5","P c a 21","P 2c -2ac","","2,8-dibromo-4,10-dichloro Tröger's base","2,8-Dibromo-4,10-dichloro-6<i>H</i>,12<i>H</i>-5,11- methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","","- C15 H10 Br2 Cl2 N2 -","- C15 H10 Br2 Cl2 N2 -","- C60 H40 Br8 Cl8 N8 -","4","1","TK2290","Zhu, Kai-Xian; Craig, Donald C.; Try, Andrew C.","2,8-Dibromo-4,10-dichloro-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","Acta Crystallographica Section E","2008","64","9","o1797","","10.1107/S1600536808026226","","","0.71073","MoKα","","","0.056","","","","0.061","","","","","","1.61","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219663","13.092","0.007","6.102","0.003","27.719","0.015","90","","90","","90","","2214","2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(2',4'-Difluorobiphenyl-4-yl)ethanone","","- C14 H10 F2 O -","- C14 H10 F2 O -","- C112 H80 F16 O8 -","8","2","NC2113","Guo, Meng-Ping; Deng, Ji-Hua; Zhang, Qiao-Chu; Guo, Hui-Rui; Yuan, Lin","1-(2',4'-Difluorobiphenyl-4-yl)ethanone","Acta Crystallographica Section E","2008","64","10","o1923","","10.1107/S1600536808028596","","","0.71073","MoKα","","0.0727","0.0655","","","0.2","0.2074","","","","","","1.129","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219710","8.2237","0.0006","5.5938","0.0004","52.839","0.004","90","","90","","90","","2430.7","0.3","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","N'-[(E)-1-phenylethylidene]benzohydrazide","N'-[(E)-1-phenylethylidene]benzohydrazide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","2","SI2108","Fun, Hoong-Kun; Sujith, K. V.; Patil, P. S.; Kalluraya, B.; Chantrapromma, Suchada","<i>N</i>'-[(<i>E</i>)-1-Phenylethylidene]benzohydrazide","Acta Crystallographica Section E","2008","64","10","o1961","o1962","10.1107/S1600536808029218","","","0.71073","MoKα","","0.078","0.064","","","0.1507","0.1586","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219746","11.756","0.003","5.5832","0.0013","42.728","0.009","90","","90","","90","","2804.5","1.1","273","2","273","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","3,9-Di-2-furyl-2,4,8,10-tetraoxaspiro[5.5]undecane","","- C15 H16 O6 -","- C15 H16 O6 -","- C120 H128 O48 -","8","2","AT2637","Lin, Jun; Jian, Fang-Fang","3,9-Di-2-furyl-2,4,8,10-tetraoxaspiro[5.5]undecane","Acta Crystallographica Section E","2008","64","11","o2130","","10.1107/S1600536808032996","","","0.71073","MoKα","","0.1263","0.0498","","","0.0991","0.1245","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2220147","9.6305","0.0019","30.273","0.006","11.33","0.002","90","","90","","90","","3303.2","1.1","90","0.2","90","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4'-Chlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate","","- C14 H10 Cl4 O4 S -","- C14 H10 Cl4 O4 S -","- C112 H80 Cl32 O32 S8 -","8","2","DN2403","Li, Xueshu; Parkin, Sean; Robertson, Larry W.; Lehmler, Hans-Joachim","4'-Chlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate","Acta Crystallographica Section E","2008","64","12","o2464","","10.1107/S1600536808038865","","","0.71073","MoKα","","0.0744","0.0438","","","0.0958","0.109","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220221","14.173","0.003","7.748","0.0015","13.272","0.003","90","","90","","90","","1457.4","0.5","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>N</i>,<i>N</i>-Dimethylacetamide‒4-iodobenzenesulfonic acid‒water (1/1/1)","","- C10 H16 I N O5 S -","- C10 H16 I N O5 S -","- C40 H64 I4 N4 O20 S4 -","4","1","HK2535","Liu, Rui; Li, Yu-Feng; Luo, Wei; Chang, Jin; Zhu, Hong-Jun","<i>N</i>,<i>N</i>-Dimethylacetamide‒4-iodobenzenesulfonic acid‒water (1/1/1)","Acta Crystallographica Section E","2008","64","12","o2376","","10.1107/S160053680803701X","","","0.71073","MoKα","","0.0844","0.0627","","","0.1462","0.1622","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220307","28.068","0.0006","5.6508","0.0001","15.3741","0.0003","90","","90","","90","","2438.43","0.08","100","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Bromo-1,3-diphenylpropan-1,3-dione","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C120 H88 Br8 O16 -","8","2","PK2135","Arifin, Zainudin; Ng, Seik Weng","2-Bromo-1,3-diphenylpropan-1,3-dione","Acta Crystallographica Section E","2008","64","12","o2439","","10.1107/S1600536808038646","","","0.71073","MoKα","","0.0499","0.0366","","","0.0806","0.0865","","","","","","0.99","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220594","8.521","0.0007","17.056","0.001","8.6318","0.0007","90","","90","","90","","1254.5","0.16","291","2","290","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Potassium trifluoro[(<i>Z</i>)-3-(oxan-2-yloxy)prop-1-en-1-yl]borate monohydrate","","- C8 H15 B F3 K O3 -","- C8 H15 B F3 K O3 -","- C32 H60 B4 F12 K4 O12 -","4","1","NG2525","Zukerman-Schpector, Julio; Guadagnin, Rafael C.; Stefani, Hélio A.; Visentin, Lorenzo do Canto","Potassium trifluoro[(<i>Z</i>)-3-(oxan-2-yloxy)prop-1-en-1-yl]borate monohydrate","Acta Crystallographica Section E","2009","65","1","o192","","10.1107/S1600536808042931","","","0.71073","MoKα","","0.0762","0.0414","","","0.0858","0.0964","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220598","13.819","0.003","9.894","0.002","17.864","0.004","90","","90","","90","","2442.5","0.9","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)[<i>N</i>,<i>N</i>'-<i>o</i>- phenylenebis(pyridine-2-carboxamidato)-κ^4^<i>N</i>]manganese(II)","","- C26 H24 Mn N8 O2 -","- C26 H24 Mn N8 O2 -","- C104 H96 Mn4 N32 O8 -","4","1","PK2130","Zahran, Zaki N.; Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.","Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)[<i>N</i>,<i>N</i>'-<i>o</i>-phenylenebis(pyridine-2-carboxamido)-κ^4^<i>N</i>]manganese(II)","Acta Crystallographica Section E","2009","65","1","m75","","10.1107/S1600536808041640","","","0.71073","MoKα","","0.0272","0.025","","","0.0614","0.0623","","","","","","1.016","","","","has coordinates,has Fobs","194623","2020-10-21","18:00:00",""
"2221035","10.428","0.003","12.067","0.004","12.53","0.005","90","","90","","90","","1576.7","0.9","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Chlorido{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)","","- C17 H16 Cl Mn N2 O2 -","- C17 H16 Cl Mn N2 O2 -","- C68 H64 Cl4 Mn4 N8 O8 -","4","1","CV2500","Li, Ming-Jie; Yan, Peng-Fei; Li, Guang-Ming; Li, Hong-Feng","Chlorido{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)","Acta Crystallographica Section E","2009","65","3","m306","","10.1107/S1600536809005352","","","0.71073","MoKα","","0.0376","0.035","","","0.0923","0.0944","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221041","12.1795","0.0005","11.0809","0.0004","9.9026","0.0004","90","","90","","90","","1336.45","0.09","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-(2,6-Dimethoxyphenoxy)-2-methylsulfanylmethyl-2<i>H</i>-tetrazole","","- C11 H14 N4 O3 S -","- C11 H14 N4 O3 S -","- C44 H56 N16 O12 S4 -","4","1","CV2515","Noroozi Pesyan, Nader; Omidkhah, Negar; Maghsoodi, Mina; Patrick, Brian O","5-(2,6-Dimethoxyphenoxy)-2-methylsulfanylmethyl-2<i>H</i>-tetrazole","Acta Crystallographica Section E","2009","65","3","o655","","10.1107/S1600536809006138","","","0.71073","MoKα","","0.0294","0.0263","","","0.0653","0.067","","","","","","1.079","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221053","24.462","0.01","5.102","0.002","18.21","0.007","90","","90","","90","","2272.7","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,2'-(Heptane-1,7-diyl)dibenzimidazolium chloride nitrate monohydrate","","- C21 H28 Cl N5 O4 -","- C21 H28 Cl N5 O4 -","- C84 H112 Cl4 N20 O16 -","4","1","EZ2159","Zeng, Jin-Ping; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","2,2'-(Heptane-1,7-diyl)dibenzimidazolium chloride nitrate monohydrate","Acta Crystallographica Section E","2009","65","3","o620","","10.1107/S1600536809006370","","","0.71073","MoKα","","0.0593","0.0377","","","0.076","0.0835","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221081","14.148","0.006","6.587","0.003","10.76","0.004","90","","90","","90","","1002.8","0.7","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-[(2-Hydroxyethyl)iminiomethyl]-6-methoxyphenolate","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C40 H52 N4 O12 -","4","1","HB2911","Tan, Guo-Xia; Liu, Xi-Cheng","(<i>E</i>)-2-[(2-Hydroxyethyl)iminiomethyl]-6-methoxyphenolate","Acta Crystallographica Section E","2009","65","3","o559","","10.1107/S1600536809005297","","","0.71073","MoKα","","0.04","0.0343","","","0.0808","0.0836","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221125","19.113","0.003","8.929","0.0008","15.781","0.001","90","","90","","90","","2693.2","0.5","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,4-Dimethyl-<i>N</i>-phenylbenzenesulfonamide","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C112 H120 N8 O16 S8 -","8","2","KJ2115","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Babitha, K. S.; Fuess, Hartmut","2,4-Dimethyl-<i>N</i>-phenylbenzenesulfonamide","Acta Crystallographica Section E","2009","65","3","o576","","10.1107/S160053680900573X","","","1.5418","CuKα","","0.0356","0.0341","","","0.0891","0.0904","","","","","","1.087","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221176","18.23","0.018","6.7854","0.0014","7.916","0.002","90","","90","","90","","979.2","1","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3,4-Dimethylanilinium chloride monohydrate","","- C8 H14 Cl N O -","- C8 H14 Cl N O -","- C32 H56 Cl4 N4 O4 -","4","1","RZ2296","Bouacida, Sofiane; Belhouas, Ratiba; Kechout, Habiba; Merazig, Hocine; Bénard-Rocherullé, Patricia","3,4-Dimethylanilinium chloride monohydrate","Acta Crystallographica Section E","2009","65","3","o628","o629","10.1107/S1600536809006072","","","0.71073","MoKα","","","0.0586","","","","0.1088","","","","","","1.148","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221189","14.1567","0.0002","7.6138","0.0001","36.1457","0.0006","90","","90","","90","","3896.01","0.1","115","2","115","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(4-Methoxyphenyl)-4-methyl-2,6-diphenyl-4<i>H</i>-thiopyran","","- C25 H22 O S -","- C25 H22 O S -","- C200 H176 O8 S8 -","8","2","SJ2580","Rahmani, Hossein; Pirelahi, Hooshang; Ng, Seik Weng","4-(4-Methoxyphenyl)-4-methyl-2,6-diphenyl-4<i>H</i>-thiopyran","Acta Crystallographica Section E","2009","65","3","o605","","10.1107/S1600536809005935","","","0.71073","MoKα","","0.0515","0.0396","","","0.0956","0.1062","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221190","23.3348","0.0008","5.9991","0.0002","13.6866","0.0005","90","","90","","90","","1915.96","0.12","115","2","115","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(4-Bromophenyl)-2-methyl-2,6-diphenyl-2<i>H</i>-thiopyran","","- C24 H19 Br S -","- C24 H19 Br S -","- C96 H76 Br4 S4 -","4","1","SJ2581","Rahmani, Hossein; Pirelahi, Hooshang; Ng, Seik Weng","4-(4-Bromophenyl)-2-methyl-2,6-diphenyl-2<i>H</i>-thiopyran","Acta Crystallographica Section E","2009","65","3","o606","","10.1107/S1600536809005959","","","0.71073","MoKα","","0.1217","0.0746","","","0.1673","0.1896","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221365","10.0299","0.0005","8.5391","0.0004","27","0.001","90","","90","","90","","2312.45","0.18","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1<i>H</i>-Benzimidazol-2-ylmethyl phenyl ether","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","2","HB2923","Hassan, Noor Doha; Tajuddin, Hairul Anuar; Abdullah, Zanariah; Ng, Seik Weng","1<i>H</i>-Benzimidazol-2-ylmethyl phenyl ether","Acta Crystallographica Section E","2009","65","4","o733","","10.1107/S1600536809007922","","","0.71073","MoKα","","0.0905","0.0463","","","0.0918","0.1111","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221372","13.0181","0.0009","10.8503","0.0008","14.7758","0.0011","90","","90","","90","","2087.1","0.3","298","2","298","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Dichlorido-2κ^2^<i>Cl</i>-{μ-6,6'-dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^: 2κ^2^<i>O</i>^1^,<i>O</i>^1'^}copper(II)zinc(II)","","- C19 H20 Cl2 Cu N2 O4 Zn -","- C19 H20 Cl2 Cu N2 O4 Zn -","- C76 H80 Cl8 Cu4 N8 O16 Zn4 -","4","1","HG2482","Liu, Qingyun; Ge, Shengsong; Cui, Guangwen","Dichlorido-2κ^2^<i>Cl</i>-{μ-6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato-1κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^:2κ^2^<i>O</i>^1^,<i>O</i>^1'^}copper(II)zinc(II)","Acta Crystallographica Section E","2009","65","4","m359","","10.1107/S1600536809006928","","","0.71073","MoKα","","0.0355","0.0287","","","0.0707","0.0741","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221384","21.634","0.002","3.8286","0.0009","26.66","0.002","90","","90","","90","","2208.2","0.6","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-<i>N</i>-[(5-Methyl-2-furyl)methylene]-3-nitroaniline","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C96 H80 N16 O24 -","8","2","HK2629","Guo, Ya-Ning","(<i>E</i>)-<i>N</i>-[(5-Methyl-2-furyl)methylene]-3-nitroaniline","Acta Crystallographica Section E","2009","65","4","o669","","10.1107/S1600536809007107","","","0.71073","MoKα","","0.086","0.0451","","","0.1011","0.1273","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221544","13.124","0.005","12.77","0.005","6.658","0.003","90","","90","","90","","1115.8","0.8","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[(<i>E</i>)-(2-Phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methyleneamino]ethanol","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","1","WN2313","Dang, Yan-Qiu; Tian, Lai-Jin","2-[(<i>E</i>)-(2-Phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methyleneamino]ethanol","Acta Crystallographica Section E","2009","65","4","o720","","10.1107/S1600536809007946","","","0.71073","MoKα","","0.1319","0.0566","","","0.1095","0.1352","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221573","26.494","0.005","4.6736","0.0009","11.931","0.002","90","","90","","90","","1477.3","0.5","113","2","113","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>N</i>-(2-Chlorophenyl)-2-(4,6-dimethylpyrimidin-2-ylsulfanyl)acetamide","","- C14 H14 Cl N3 O S -","- C14 H14 Cl N3 O S -","- C56 H56 Cl4 N12 O4 S4 -","4","1","AT2755","Li, Qiang; Wang, Wei; Wang, Hui; Gao, Yan; Qiu, Hong","<i>N</i>-(2-Chlorophenyl)-2-(4,6-dimethylpyrimidin-2-ylsulfanyl)acetamide","Acta Crystallographica Section E","2009","65","5","o959","","10.1107/S1600536809011520","","","0.71073","MoKα","","0.0253","0.0239","","","0.0606","0.0613","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221906","11.4164","0.0003","6.6372","0.0002","15.5118","0.0004","90","","90","","90","","1175.37","0.06","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(7<i>R</i>,8<i>S</i>,8a<i>S</i>)-8-Hydroxy-7-phenylperhydroindolizin-3-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","BG2260","Švorc, Ľubomír; Vrábel, Viktor; Marchalín, Štefan; Šafář, Peter; Kožíšek, Jozef","(7<i>R</i>,8<i>S</i>,8a<i>S</i>)-8-Hydroxy-7-phenylperhydroindolizin-3-one","Acta Crystallographica Section E","2009","65","6","o1368","o1369","10.1107/S1600536809018455","","","0.71073","MoKα","","0.071","0.0348","","","0.0892","0.1006","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222108","12.0951","0.0013","7.4097","0.0008","35.163","0.005","90","","90","","90","","3151.3","0.7","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-[2-(Benzylamino)-4-pyridyl]-2-(4-fluorophenyl)ethane-1,2-dione","","- C20 H15 F N2 O2 -","- C20 H15 F N2 O2 -","- C160 H120 F8 N16 O16 -","8","2","NC2145","Jahns, Hartmut; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","1-[2-(Benzylamino)-4-pyridyl]-2-(4-fluorophenyl)ethane-1,2-dione","Acta Crystallographica Section E","2009","65","6","o1451","","10.1107/S1600536809019801","","","1.54178","CuKα","","0.0603","0.0484","","","0.1224","0.1319","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222252","12.7961","0.0009","5.066","0.0004","13.1181","0.0009","90","","90","","90","","850.38","0.11","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","8-Chloro-2-methylquinoline","","- C10 H8 Cl N -","- C10 H8 Cl N -","- C40 H32 Cl4 N4 -","4","1","BT2969","Wu, Tian-Quan; Wang, Jian-Hua; Shen, Fang; Hu, Ai-Xi","8-Chloro-2-methylquinoline","Acta Crystallographica Section E","2009","65","7","o1463","","10.1107/S1600536809020194","","","0.71073","MoKα","","0.0322","0.0288","","","0.0731","0.0754","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222316","12.021","0.002","14.369","0.003","9.7517","0.0018","90","","90","","90","","1684.4","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ethyl (<i>E</i>)-1-(2-styryl-1<i>H</i>-benzimidazol-1-yl)acetate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","HB2982","Fu, Xue-qun; Xu, Guang-hai","Ethyl (<i>E</i>)-1-(2-styryl-1<i>H</i>-benzimidazol-1-yl)acetate","Acta Crystallographica Section E","2009","65","7","o1535","","10.1107/S1600536809019825","","","0.71073","MoKα","","0.0798","0.0578","","","0.139","0.1513","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222425","11.6914","0.0012","25.641","0.002","7.7625","0.0007","90","","90","","90","","2327","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4,4'-[4,4'-(Perfluoropropane-2,2-diyl)bis(4,1-phenyleneoxy)]dianiline","","- C27 H20 F6 N2 O2 -","- C27 H20 F6 N2 O2 -","- C108 H80 F24 N8 O8 -","4","1","PV2158","Nawaz, Haq; Akhter, Zareen; Bolte, Michael; Siddiqui, Humaira M.","4,4'-[4,4'-(Perfluoropropane-2,2-diyl)bis(4,1-phenyleneoxy)]dianiline","Acta Crystallographica Section E","2009","65","7","o1460","","10.1107/S1600536809020121","","","0.71073","MoKα","","0.0515","0.0367","","","0.082","0.0878","","","","","","0.924","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222590","7.5197","0.0002","12.7997","0.0003","20.3238","0.0004","90","","90","","90","","1956.16","0.08","153","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(<i>o</i>-Tolyloxy)pyrimidine","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","2","BT2995","Shah Bakhtiar, Nasir; Abdullah, Zanariah; Ng, Seik Weng","2-(<i>o</i>-Tolyloxy)pyrimidine","Acta Crystallographica Section E","2009","65","8","o1880","","10.1107/S1600536809026609","","","0.71073","MoKα","","0.0398","0.0328","","","0.0832","0.0882","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222671","21.45","0.005","6.867","0.002","12.219","0.004","90","","90","","90","","1799.8","0.9","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","[tris(hydroxymethyl)methyl]ammonium tetraoxidorhenate(VII)","","- C4 H12 N O7 Re -","- C4 H12 N O7 Re -","- C32 H96 N8 O56 Re8 -","8","2","EZ2176","Hołyńska, Małgorzata; Lis, Tadeusz","Extensive hydrogen-bonding network and an unusual cation conformation in [tris(hydroxymethyl)methyl]ammonium tetraoxidorhenate(VII)","Acta Crystallographica Section E","2009","65","8","m998","m999","10.1107/S1600536809028797","","","0.71073","MoKα","","0.025","0.0198","","","0.0335","0.0339","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222709","24.921","0.002","4.3735","0.0006","11.1723","0.0014","90","","90","","90","","1217.7","0.2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","3,6-Dichloro-<i>N</i>-(4-fluorophenyl)picolinamide","","- C12 H7 Cl2 F N2 O -","- C12 H7 Cl2 F N2 O -","- C48 H28 Cl8 F4 N8 O4 -","4","1","HG2522","Tan, Zhengde; Bing, Yi; Fang, Shen; Kai, Zhao; Yan, Yang","3,6-Dichloro-<i>N</i>-(4-fluorophenyl)picolinamide","Acta Crystallographica Section E","2009","65","8","o1758","","10.1107/S1600536809024799","","","0.71073","MoKα","","0.0643","0.0506","","","0.1303","0.1404","","","","","","1.079","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222737","25.609","0.008","3.9299","0.0012","12.368","0.004","90","","90","","90","","1244.7","0.7","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile","","- C14 H9 Br N2 O -","- C14 H9 Br N2 O -","- C56 H36 Br4 N8 O4 -","4","1","HK2739","Zhou, Jian-Cheng; Li, Nai-Xu; Zhang, Chuan-Ming; Zhang, Zheng-Yun","(<i>E</i>)-2-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2009","65","8","o1949","","10.1107/S1600536809027950","","","0.71073","MoKα","","0.0816","0.0386","","","0.0776","0.0902","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222804","12.7691","0.0007","9.4064","0.0005","18.6362","0.001","90","","90","","90","","2238.4","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(2<i>H</i>-Benzotriazol-2-yl)-4-methylphenyl diphenylphosphinate","","- C25 H20 N3 O2 P -","- C25 H20 N3 O2 P -","- C100 H80 N12 O8 P4 -","4","1","LH2871","Liu, Yi-Chang; Lin, Chia-Her; Ko, Bao-Tsan","2-(2<i>H</i>-Benzotriazol-2-yl)-4-methylphenyl diphenylphosphinate","Acta Crystallographica Section E","2009","65","8","o2058","","10.1107/S1600536809029870","","","0.71073","MoKα","","0.0359","0.0318","","","0.0833","0.0861","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222913","14.1443","0.0014","7.2931","0.0004","22.9916","0.0013","90","","90","","90","","2371.7","0.3","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Lanthanum molybdate oxide","Lanthanum molybdate oxide","","- La4 Mo7 O27 -","- La4 Mo7 O27 -","- La16 Mo28 O108 -","4","1","WM2242","van der Wolf, Benjamin; Held, Peter; Becker, Petra","The lanthanum(III) molybdate(VI) La~4~Mo~7~O~27~","Acta Crystallographica Section E","2009","65","8","i59","","10.1107/S1600536809026415","","","0.71073","MoKα","","0.0415","0.0282","","","0.0718","0.0764","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222916","7.409","0.002","22.522","0.006","9.681","0.003","90","","90","","90","","1615.4","0.8","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3,4,5-Trimethoxy-<i>N</i>-(2-methoxyphenyl)benzamide","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","WM2245","Saeed, Aamer; Flörke, Ulrich","3,4,5-Trimethoxy-<i>N</i>-(2-methoxyphenyl)benzamide","Acta Crystallographica Section E","2009","65","8","o1948","","10.1107/S1600536809027974","","","0.71073","MoKα","","0.0547","0.0509","","","0.1238","0.1255","","","","","","1.132","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223056","10.1863","0.0008","9.1483","0.0007","11.8856","0.0009","90","","90","","90","","1107.59","0.15","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,2,2-Tribromo-<i>N</i>-phenylacetamide","","- C8 H6 Br3 N O -","- C8 H6 Br3 N O -","- C32 H24 Br12 N4 O4 -","4","1","FL2260","Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut","2,2,2-Tribromo-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2009","65","9","o2226","","10.1107/S160053680903298X","","","1.5418","CuKα","","0.0818","0.0792","","","0.2325","0.2372","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223213","32.6678","0.0006","5.8515","0.0001","7.814","0.0002","90","","90","","90","","1493.69","0.05","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>,<i>N</i>-Bis(2,6-difluorobenzyl)-1,3,4-thiadiazol-2-amine","","- C16 H11 F4 N3 S -","- C16 H11 F4 N3 S -","- C64 H44 F16 N12 S4 -","4","1","TK2527","Fun, Hoong-Kun; Liew, Wei-Ching; Chandrakantha, B.; Isloor, Arun M.","<i>N</i>,<i>N</i>-Bis(2,6-difluorobenzyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2009","65","9","o2166","o2167","10.1107/S1600536809031675","","","0.71073","MoKα","","0.04","0.033","","","0.073","0.076","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223386","12.3194","0.0011","16.4796","0.0016","7.2596","0.0007","90","","90","","90","","1473.8","0.2","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2<i>Z</i>)-2-(4-Methylphenyl)-3-(2-naphthyl)prop-2-enenitrile","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","1","HB5070","Asiri, Abdullah Mohamed; Akkurt, Mehmet; Khan, Islam Ullah; Arshad, Muhammad N.; Khan, Salman A.","(2<i>Z</i>)-2-(4-Methylphenyl)-3-(2-naphthyl)prop-2-enenitrile","Acta Crystallographica Section E","2009","65","10","o2409","","10.1107/S1600536809034229","","","0.71073","MoKα","","0.1849","0.0583","","","0.1152","0.1743","","","","","","0.951","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223426","20.5119","0.0004","7.102","0.0004","9.6659","0.0003","90","","90","","90","","1408.08","0.09","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>trans</i>-4,5-Dihydroxy-1,3-diphenylimidazolidine-2-thione","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","HK2762","Zhang, Zhenfeng; Wei, Meilin; Wang, Jiange; Zhang, Guisheng","<i>trans</i>-4,5-Dihydroxy-1,3-diphenylimidazolidine-2-thione","Acta Crystallographica Section E","2009","65","10","o2389","","10.1107/S160053680903548X","","","0.71073","MoKα","","0.0439","0.0372","","","0.1055","0.1189","","","","","","1.085","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223450","15.016","0.002","10.2459","0.0014","18.74","0.003","90","","90","","90","","2883.2","0.7","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","7-Bromo-4-(7-bromo-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1<i>H</i>-xanthen- 9-yl)-3,3-dimethyl-2,3-dihydroxanthen-1(4<i>H</i>)-one ethanol solvate","","- C32 H32 Br2 O5 -","- C32 H32 Br2 O5 -","- C128 H128 Br8 O20 -","4","1","JH2097","Lian, Chaomei; Lu, Pingping; Zhu, Yulin","7-Bromo-4-(7-bromo-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-9-yl)-3,3-dimethyl-2,3-dihydroxanthen-1(4<i>H</i>)-one ethanol solvate","Acta Crystallographica Section E","2009","65","10","o2448","","10.1107/S1600536809035922","","","0.71073","MoKα","","0.0738","0.039","","","0.0682","0.0778","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223535","13.6471","0.0006","15.6315","0.0003","7.3514","0.0006","90","","90","","90","","1568.23","0.15","296","1","296","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","yl)methylene]aniline","","- C17 H13 Cl2 N3 -","- C17 H13 Cl2 N3 -","- C68 H52 Cl8 N12 -","4","1","RK2165","Zhuang, Yu-Guo","(<i>E</i>)-4-Chloro-<i>N</i>-[(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylene]aniline","Acta Crystallographica Section E","2009","65","10","o2424","","10.1107/S1600536809035727","","","0.71075","MoKα","","","0.032","","","","0.0986","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223817","7.681","0.0015","5.952","0.0012","24.75","0.005","90","","90","","90","","1131.5","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 3-[1-(4-bromophenyl)ethylidene]carbazate","","- C10 H11 Br N2 O2 -","- C10 H11 Br N2 O2 -","- C40 H44 Br4 N8 O8 -","4","1","HB5186","Li, Yu-Feng; Liu, Hai-Xing; Jian, Fang-Fang","Ethyl 3-[1-(4-bromophenyl)ethylidene]carbazate","Acta Crystallographica Section E","2009","65","11","o2938","","10.1107/S1600536809044614","","","0.71073","MoKα","","0.0784","0.0515","","","0.1211","0.1522","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223915","8.25","0.006","11.232","0.008","11.942","0.008","90","","90","","90","","1106.6","1.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(3-Chloro-2-pyridyl)-3-methyl-1<i>H</i>-pyrazole-5-carboxylic acid","","- C10 H8 Cl N3 O2 -","- C10 H8 Cl N3 O2 -","- C40 H32 Cl4 N12 O8 -","4","1","LH2933","Cai, Hua; Guo, Ying; Li, Jian-Gang; Wu, Yao","1-(3-Chloro-2-pyridyl)-3-methyl-1<i>H</i>-pyrazole-5-carboxylic acid","Acta Crystallographica Section E","2009","65","11","o2876","","10.1107/S1600536809043906","","","0.71073","MoKα","","0.0374","0.033","","","0.0727","0.0752","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223950","6.092","0.001","7.295","0.001","36.619","0.002","90","","90","","90","","1627.4","0.4","295","1","295","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one","","- C21 H15 Br O -","- C21 H15 Br O -","- C84 H60 Br4 O4 -","4","1","NK2009","Dutkiewicz, Grzegorz; Chidan Kumar, C. S.; Yathirajan, H. S.; Narayana, B.; Kubicki, Maciej","(<i>E</i>)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","11","o2856","o2857","10.1107/S1600536809043384","","","0.71073","MoKα","","0.0442","0.0345","","","0.0828","0.0852","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224104","12.509","0.003","16.582","0.003","34.976","0.007","90","","90","","90","","7255","3","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Tetraethylammonium dicyanidobis(ethane-1,2- dithiolato)tetra-μ~3~-sulfido-dimolybdenum(V)dicopper(I)","","","- C22 H48 Cu2 Mo2 N4 S8 -","- C22 H48 Cu2 Mo2 N4 S8 -","- C176 H384 Cu16 Mo16 N32 S64 -","8","2","ZS2011","You, Xiu-Li; Liu, Yue-Long","Tetraethylammonium dicyanidobis(ethane-1,2-dithiolato)tetra-μ~3~-sulfido-dimolybdenum(V)dicopper(I)","Acta Crystallographica Section E","2009","65","11","m1485","","10.1107/S1600536809044821","","","0.71073","MoKα","","0.0757","0.066","","","0.0948","0.0974","","","","","","1.185","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224119","31.414","0.003","5.1067","0.0005","8.1336","0.0009","90","","90","","90","","1304.8","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","BQ2172","Gou, Jian-Xia; Song, Ming-Zhi; Fan, Chuan-Gang; Yang, Zhong-Nian","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","12","o3207","","10.1107/S1600536809049988","","","0.71073","MoKα","","0.0707","0.0423","","","0.0935","0.1064","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224181","10.9404","0.0003","9.7136","0.0003","26.9207","0.0007","90","","90","","90","","2860.88","0.14","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(3-<i>p</i>-Tolylisoxazol-5-yl)cyclohexanol","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","2","DN2504","Khalil, Ouafaa; Bougrin, Khalid; Benhida, Rachid; Soufiaoui, Mohamed; Ammari, Lahcen El","1-(3-<i>p</i>-Tolylisoxazol-5-yl)cyclohexanol","Acta Crystallographica Section E","2009","65","12","o2971","","10.1107/S1600536809044900","","","0.71073","MoKα","","0.05","0.0385","","","0.0964","0.1048","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224190","16.325","0.0004","5.7979","0.0001","16.4983","0.0004","90","","90","","90","","1561.58","0.06","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Benzhydryl Phenyl Sulfone","Benzhydryl phenyl sulfone","","- C19 H16 O2 S -","- C19 H16 O2 S -","- C76 H64 O8 S4 -","4","1","DS2011","Baidya, Mahiuddin; Mayr, Herbert; Mayer, Peter","Benzhydryl phenyl sulfone","Acta Crystallographica Section E","2009","65","12","o3224","","10.1107/S1600536809050363","","","0.71073","MoKα","","0.0382","0.0313","","","0.0712","0.0753","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224319","12.4398","0.0006","8.7538","0.0005","12.7288","0.0007","90","","90","","90","","1386.11","0.13","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl 4-hydroxy-2-propyl-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","","- C13 H15 N O5 S -","- C13 H15 N O5 S -","- C52 H60 N4 O20 S4 -","4","1","IS2482","Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Khan, Islam Ullah","Methyl 4-hydroxy-2-propyl-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","Acta Crystallographica Section E","2009","65","12","o3025","","10.1107/S1600536809046236","","","0.71073","MoKα","","0.0521","0.036","","","0.0853","0.0935","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224320","12.4289","0.001","8.3706","0.0008","13.0132","0.0011","90","","90","","90","","1353.9","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Methyl 4-hydroxy-2-(prop-2-en-1-yl)-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","Methyl 2-allyl-4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","","- C13 H13 N O5 S -","- C13 H13 N O5 S -","- C52 H52 N4 O20 S4 -","4","1","IS2483","Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Khan, Islam Ullah","Methyl 2-allyl-4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","Acta Crystallographica Section E","2009","65","12","o3077","","10.1107/S160053680904673X","","","0.71073","MoKα","","0.1035","0.0572","","","0.0898","0.1033","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224600","27.051","0.002","8.9682","0.0007","29.191","0.003","90","","90","","90","","7081.7","1.1","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1-[Ferrocenyl(hydroxy)methyl]-1,2-dicarbadocecaborane(12)","1-[(ferrocenyl)(hydroxy)methyl]- 1,2-dicarba-<i>closo</i>-dodecaborane","","- C13 H22 B10 Fe O -","- C13 H22 B10 Fe O -","- C208 H352 B160 Fe16 O16 -","16","4","CV2664","Chen, Hongwei; Miao, Jinling; Zhu, Peihua; Wang, Daqi; Nie, Yong","An orthorhombic polymorph of 1-[(ferrocenyl)(hydroxy)methyl]-1,2-dicarba-<i>closo</i>-dodecaborane","Acta Crystallographica Section E","2010","66","1","m22","","10.1107/S1600536809051903","","","0.71073","MoKα","","0.1521","0.0748","","","0.1576","0.1811","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224608","21.4678","0.0004","14.5221","0.0002","6.2436","0.0001","90","","90","","90","","1946.49","0.05","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1-Bromo-2,7-di-<i>tert</i>-butylpyrene","","- C24 H25 Br -","- C24 H25 Br -","- C96 H100 Br4 -","4","1","CV2677","Xia, Guang-Ming; Liu, Zhi-Qiang; Lu, Ping; Sun, Guo-Xin; Chen, Hong-Yu","1-Bromo-2,7-di-<i>tert</i>-butylpyrene","Acta Crystallographica Section E","2010","66","1","o216","","10.1107/S1600536809054257","","","0.71073","MoKα","","0.1336","0.0901","","","0.2401","0.2808","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224707","12.625","0.0005","13.9634","0.0006","8.8369","0.0003","90","","90","","90","","1557.84","0.11","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(7-Dimethylamino-1-hydroxy-3-naphthyl)(morpholino)methanone","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","LX2129","Kim, Moon-Hwan; Seo, Ji-Su; Kim, Chong-Hyeak; Ryu, Jae-Wook; Lee, Ki-Hwan","(7-Dimethylamino-1-hydroxy-3-naphthyl)(morpholino)methanone","Acta Crystallographica Section E","2010","66","1","o66","","10.1107/S1600536809051848","","","0.71073","MoKα","","0.0666","0.0442","","","0.1042","0.1152","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224773","15.4916","0.0006","32.05","0.0011","21.1332","0.0008","90","","90","","90","","10492.8","0.7","100","0.1","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(4-\ chlorophenyl)phosphine-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)} chloroform monosolvate","","- C105 H69 As4 Cl9 O18 P2 Ru6 -","- C105 H69 As4 Cl9 O18 P2 Ru6 -","- C420 H276 As16 Cl36 O72 P8 Ru24 -","4","1","SJ2702","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Yeap, Chin Sing; Fun, Hoong-Kun","Bis{[μ-bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(4-chlorophenyl)phosphine-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)} chloroform monosolvate","Acta Crystallographica Section E","2010","66","1","m90","m91","10.1107/S1600536809053884","","","0.71073","MoKα","","0.063","0.0428","","","0.084","0.0916","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224835","25.588","0.005","8.8028","0.0018","33.195","0.007","90","","90","","90","","7477","3","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1'-Benzyl-4,4''-bis(4-chlorophenyl)-3-(2,6-dichlorophenyl)-1''-methyl-4,5- dihydroisoxazole-5-spiro-3'-piperidine-5'-spiro-3''-pyrrolidine-2''- spiro-3'''-indoline-2''',4'-dione","","- C43 H34 Cl4 N4 O3 -","- C43 H34 Cl4 N4 O3 -","- C344 H272 Cl32 N32 O24 -","8","2","ZS2026","Hou, Yongjiang","1'-Benzyl-4,4''-bis(4-chlorophenyl)-3-(2,6-dichlorophenyl)-1''-methyl-4,5-dihydroisoxazole-5-spiro-3'-piperidine-5'-spiro-3''-pyrrolidine-2''-spiro-3'''-indoline-2''',4'-dione","Acta Crystallographica Section E","2010","66","1","o139","","10.1107/S1600536809053276","","","1.54187","CuKα","","0.0565","0.0507","","","0.1252","0.1282","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224857","9.26","0.0003","9.3782","0.0003","37.9965","0.0004","90","","90","","90","","3299.7","0.15","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(E)-3-(4-bromophenyl)-3-[3-(4-bromophenyl)-1H-pyrazol-1-yl]-2-propenal","(<i>E</i>)-3-(4-Bromophenyl)-3-[3-(4-bromophenyl)-1<i>H</i>-pyrazol- 1-yl]prop-2-enal","","- C18 H12 Br2 N2 O -","- C18 H12 Br2 N2 O -","- C144 H96 Br16 N16 O8 -","8","2","BT5143","Ramesh, P.; Manikannan, Ramaiyan; Muthusubramanian, S.; Ravichandran, K.; Ponnuswamy, M. N.","(<i>E</i>)-3-(4-Bromophenyl)-3-[3-(4-bromophenyl)-1<i>H</i>-pyrazol-1-yl]prop-2-enal","Acta Crystallographica Section E","2010","66","2","o279","","10.1107/S1600536809054749","","","0.71073","MoKα","","0.0763","0.037","","","0.0738","0.0858","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224868","24.829","0.002","7.329","0.0007","19.1378","0.0017","90","","90","","90","","3482.5","0.5","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[aquasodium]-μ-[2,2'-(disulfanediyl)bis(pyridine <i>N</i>-oxide)]-μ-(pyridine-2-thiolato 1-oxide)]","","- C15 H14 N3 Na O4 S3 -","- C15 H14 N3 Na O4 S3 -","- C120 H112 N24 Na8 O32 S24 -","8","2","BT5158","Ravindran Durai Nayagam, B.; Jebas, Samuel Robinson; Devadasan, J. Jebaraj; Murugesan, R.; Schollmeyer, Dieter","<i>catena</i>-Poly[[aquasodium(I)]-μ-[2,2'-(disulfanediyl)bis(pyridine <i>N</i>-oxide)]-μ-(pyridine-2-thiolato 1-oxide)]","Acta Crystallographica Section E","2010","66","2","m142","m143","10.1107/S1600536810000073","","","0.71069","MoKα","","0.0595","0.037","","","0.068","0.0735","","","","","","0.929","","","","has coordinates,has Fobs","183154","2020-10-21","18:00:00",""
"2224940","34.25","0.005","5.763","0.002","8.991","0.003","90","","90","","90","","1774.7","0.9","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis(2-amino-3-nitropyridinium) dihydrogendiphosphate","","- C10 H14 N6 O11 P2 -","- C10 H14 N6 O11 P2 -","- C40 H56 N24 O44 P8 -","4","1","DN2529","Toumi Akriche, Samah; Rzaigui, Mohamed; Elothman, Zeid Abdellah; Mahfouz, Refaat Mohamed","Bis(2-amino-3-nitropyridinium) dihydrogendiphosphate","Acta Crystallographica Section E","2010","66","2","o358","","10.1107/S1600536810000942","","","0.71073","MoKα","","0.0543","0.0331","","","0.0785","0.0906","","","","","","1.092","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224957","15.081","0.0015","8.77","0.0008","10.6108","0.001","90","","90","","90","","1403.4","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(1<i>H</i>-Indol-3-yl)-4,4,5,5-tetramethylimidazolidine-1-oxyl 3-oxide","","- C15 H18 N3 O2 -","- C15 H18 N3 O2 -","- C60 H72 N12 O8 -","4","1","FL2283","Wang, Hai-Bo; Jing, Lin-Lin; Jiang, Ru; Liu, Peng; Sun, Xiao-Li","2-(1<i>H</i>-Indol-3-yl)-4,4,5,5-tetramethylimidazolidine-1-oxyl 3-oxide","Acta Crystallographica Section E","2010","66","2","o428","","10.1107/S1600536810002175","","","0.71073","MoKα","","0.028","0.025","","","0.0655","0.0668","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225001","9.9412","0.0002","9.0941","0.0002","19.9004","0.0003","90","","90","","90","","1799.12","0.06","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Oxonium (dihydrogen 1-aminoethane-1,1-diyldiphosphonato-κ^2^<i>N</i>,<i>O</i>)[hydrogen (1-amino-1-phosphonoethyl)phosphonato-κ^2^<i>N</i>,<i>O</i>]palladium(II) trihydrate","","- C4 H24 N2 O16 P4 Pd -","- C4 H24 N2 O16 P4 Pd -","- C16 H96 N8 O64 P16 Pd4 -","4","1","HG2625","Dudko, Anatolij; Bon, Vladimir; Kozachkova, Alexandra; Tsaryk, Natalia; Pekhnyo, Vasily","Oxonium (dihydrogen 1-aminoethane-1,1-diyldiphosphonato-κ^2^<i>N</i>,<i>O</i>)[hydrogen (1-amino-1-phosphonoethyl)phosphonato-κ^2^<i>N</i>,<i>O</i>]palladium(II) trihydrate","Acta Crystallographica Section E","2010","66","2","m170","m171","10.1107/S1600536810000930","","","0.71073","MoKα","","0.0146","0.0145","","","0.0407","0.0407","","","","","","1.091","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225218","14.3201","0.0002","9.0891","0.0003","12.8771","0.0002","90","","90","","90","","1676.04","0.07","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Bis(anilinium hydrogensulfate)","Anilinium hydrogen sulfate","","- C6 H9 N O4 S -","- C6 H9 N O4 S -","- C48 H72 N8 O32 S8 -","8","2","DN2534","Boutobba, Zina; Direm, Amani; Benali-Cherif, Nourredine","Anilinium hydrogen sulfate","Acta Crystallographica Section E","2010","66","3","o595","o596","10.1107/S1600536810004782","","","0.71073","MoKα","","0.0808","0.0405","","","0.0997","0.1172","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225276","10.675","0.002","13.858","0.003","13.61","0.003","90","","90","","90","","2013.4","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[bis(1-allylimidazole)zinc(II)]-μ-phthalato- κ^2^<i>O</i>^1^:<i>O</i>^2^]","","- C20 H20 N4 O4 Zn -","- C20 H20 N4 O4 Zn -","- C80 H80 N16 O16 Zn4 -","4","1","HG2640","Li, Rong-Xun; Wu, Qi-Ye; Liu, Fa-Qian","<i>catena</i>-Poly[[bis(1-allylimidazole)zinc(II)]-μ-phthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^]","Acta Crystallographica Section E","2010","66","3","m258","","10.1107/S1600536810003892","","","0.71073","MoKα","","0.0927","0.0631","","","0.1511","0.1703","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225462","7.5963","0.0003","7.3633","0.0003","27.743","0.0011","90","","90","","90","","1551.77","0.11","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(2-Fluorobiphenyl-4-yl)-<i>N</i>'-(propan-2-ylidene)propanohydrazide","","- C18 H19 F N2 O -","- C18 H19 F N2 O -","- C72 H76 F4 N8 O4 -","4","1","BT5206","Khanum, Saira; Farman, Muhammad; Rama, Nasim Hasan; Hameed, Shahid; Jones, Peter G.","2-(2-Fluorobiphenyl-4-yl)-<i>N</i>'-(propan-2-ylidene)propanohydrazide","Acta Crystallographica Section E","2010","66","4","o858","","10.1107/S1600536810009049","","","0.71073","MoKα","","0.0336","0.0306","","","0.0751","0.0758","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225493","10.616","0.001","11.191","0.002","8.22","0.001","90","","90","","90","","976.6","0.2","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-(2-Chlorophenyl)succinimide","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C40 H32 Cl4 N4 O8 -","4","1","BX2270","Saraswathi, B. S.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","<i>N</i>-(2-Chlorophenyl)succinimide","Acta Crystallographica Section E","2010","66","4","o921","","10.1107/S1600536810010457","","","0.71073","MoKα","","0.0275","0.0251","","","0.0702","0.0719","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225502","6.1445","0.0004","7.4298","0.0007","29.014","0.002","90","","90","","90","","1324.56","0.18","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(Biphenyl-4-yl)(phenyl)methanone","","- C19 H14 O -","- C19 H14 O -","- C76 H56 O4 -","4","1","HB5370","Saeed, Aamer; Samra, Shahid Ameen; Irfan, Madiha; Bolte, Michael","(Biphenyl-4-yl)(phenyl)methanone","Acta Crystallographica Section E","2010","66","4","o926","","10.1107/S1600536810010676","","","0.71073","MoKα","","0.0795","0.0769","","","0.1804","0.1817","","","","","","1.125","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225673","9.0677","0.0013","14.222","0.002","10.4846","0.0015","90","","90","","90","","1352.1","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-1-Ferrocenyl-3-(2-furyl)prop-2-en-1-one","","- C17 H14 Fe O2 -","- C17 H14 Fe O2 -","- C68 H56 Fe4 O8 -","4","1","PV2265","Liu, Yong-Hong; Guo, Rong","(<i>E</i>)-1-Ferrocenyl-3-(2-furyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","4","m479","","10.1107/S1600536810011001","","","0.71073","MoKα","","0.026","0.0229","","","0.0558","0.0578","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225717","17.3774","0.0005","9.0629","0.0003","22.2238","0.0007","90","","90","","90","","3500.02","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","","- C20 H16 F2 O3 -","- C20 H16 F2 O3 -","- C160 H128 F16 O24 -","8","2","SJ2744","Fun, Hoong-Kun; Hemamalini, Madhukar; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","Methyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2010","66","4","o864","o865","10.1107/S1600536810009414","","","0.71073","MoKα","","0.1052","0.0545","","","0.1396","0.1685","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225749","21.184","0.002","14.7095","0.001","15.6602","0.001","90","","90","","90","","4879.8","0.6","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(2-Amino-5-chlorobenzenesulfonato-κ<i>O</i>)bis(3-methylisoquinoline- κ<i>N</i>)silver(I)","","- C26 H23 Ag Cl N3 O3 S -","- C26 H23 Ag Cl N3 O3 S -","- C208 H184 Ag8 Cl8 N24 O24 S8 -","8","2","ZQ2031","Liu, Qiang; Feng, Li; Li, Yu-Jie; Dong, Xian-Wu","(2-Amino-5-chlorobenzenesulfonato-κ<i>O</i>)bis(3-methylisoquinoline-κ<i>N</i>)silver(I)","Acta Crystallographica Section E","2010","66","4","m415","","10.1107/S1600536810009220","","","0.71073","MoKα","","0.1456","0.0562","","","0.1001","0.1243","","","","","","0.81","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225799","13.5272","0.0005","6.5362","0.0002","15.688","0.0005","90","","90","","90","","1387.08","0.08","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-(2,4-Dichlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole","","- C14 H7 Cl2 N3 O3 -","- C14 H7 Cl2 N3 O3 -","- C56 H28 Cl8 N12 O12 -","4","1","CI5063","Fun, Hoong-Kun; Rosli, Mohd Mustaqim; Rai, Sankappa; Isloor, Arun M.; Shetty, Prakash","5-(2,4-Dichlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole","Acta Crystallographica Section E","2010","66","5","o1196","o1197","10.1107/S1600536810011153","","","0.71073","MoKα","","0.069","0.0484","","","0.0842","0.0912","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225849","21.1304","0.0002","10.3733","0.0001","15.6094","0.0002","90","","90","","90","","3421.46","0.06","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Hexasodium heptamolybdate(VI) 14-hydrate","","- H28 Mo7 Na6 O38 -","- H28 Mo7 Na6 O38 -","- H112 Mo28 Na24 O152 -","4","1","HB5372","Hao, Lujiang; Chen, Jiangkui; Zhang, Xiaofei","Redetermination of hexasodium heptamolybdate(VI) 14-hydrate","Acta Crystallographica Section E","2010","66","5","i34","i35","10.1107/S1600536810012316","","","0.71073","MoKα","","0.0174","0.017","","","0.0438","0.044","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225876","27.7716","0.0015","5.9523","0.0003","22.314","0.0012","90","","90","","90","","3688.6","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>,<i>N</i>-Dibenzyl-4-methylbenzenesulfonamide","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C168 H168 N8 O16 S8 -","8","2","HB5415","Khan, Islam Ullah; Ahmad, Waqar; Sharif, Shahzad; Ali, Salamat; Tiekink, Edward R. T.","<i>N</i>,<i>N</i>-Dibenzyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2010","66","5","o1218","","10.1107/S1600536810015059","","","0.71073","MoKα","","0.158","0.062","","","0.157","0.232","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226024","14.7311","0.0003","4.7474","0.0001","28.0284","0.0005","90","","90","","90","","1960.15","0.07","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(4-Morpholinecarbothioylsulfanyl)acetic acid","","- C7 H11 N O3 S2 -","- C7 H11 N O3 S2 -","- C56 H88 N8 O24 S16 -","8","2","XU2747","Lo, Kong Mun; Ng, Seik Weng","2-(4-Morpholinecarbothioylsulfanyl)acetic acid","Acta Crystallographica Section E","2010","66","5","o1078","","10.1107/S1600536810012602","","","0.71073","MoKα","","0.0811","0.066","","","0.1751","0.1879","","","","","","1.105","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226062","18.969","0.003","3.7244","0.0006","15.235","0.003","90","","90","","90","","1076.3","0.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Alternariol","3,7,9-trihydroxy-1-methyl-6<i>H</i>-benzo[<i>c</i>]chromen-6-one","","- C14 H10 O5 -","- C14 H10 O5 -","- C56 H40 O20 -","4","1","BT5266","Siegel, David; Troyanov, Sergey; Noack, Johannes; Emmerling, Franziska; Nehls, Irene","Alternariol","Acta Crystallographica Section E","2010","66","6","o1366","","10.1107/S1600536810017502","","","0.71073","MoKα","","0.0506","0.0347","","","0.0659","0.069","","","","","","0.99","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226083","21.609","0.009","11.892","0.005","12.355","0.005","90","","90","","90","","3175","2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-[(5-Chloro-2-hydroxybenzylidene)amino]-3',6'- bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one","","- C35 H35 Cl N4 O3 -","- C35 H35 Cl N4 O3 -","- C140 H140 Cl4 N16 O12 -","4","1","CS2127","Xu, Zhi-hong; Guo, Wei-yun; Su, Bo-wei; Shen, Xu-Ke; Yang, Feng-ling","2-[(5-Chloro-2-hydroxybenzylidene)amino]-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one","Acta Crystallographica Section E","2010","66","6","o1500","","10.1107/S1600536810019549","","","0.71073","MoKα","","0.1209","0.0485","","","0.0711","0.0884","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226154","23.688","0.003","3.7862","0.0005","11.573","0.0016","90","","90","","90","","1038","0.2","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","Indeno[1,2-b]quinoxalin-11-one","11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one","","- C15 H8 N2 O -","- C15 H8 N2 O -","- C60 H32 N8 O4 -","4","1","HB5459","Ghalib, Raza Murad; Hashim, Rokiah; Sulaiman, Othman; Hemamalini, Madhukar; Fun, Hoong-Kun","11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one","Acta Crystallographica Section E","2010","66","6","o1494","","10.1107/S1600536810019252","","","0.71073","MoKα","","0.0397","0.0363","","","0.0932","0.0964","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226191","18.5474","0.0002","11.667","0.0005","8.4783","0.0007","90","","90","","90","","1834.64","0.17","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(2- thienylmethylidene)acetohydrazide","","- C18 H17 N5 O3 S2 -","- C18 H17 N5 O3 S2 -","- C72 H68 N20 O12 S8 -","4","1","JH2146","Ahmad, Matloob; Siddiqui, Hamid Latif; Khan, Altaf Hussain; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(2-thienylmethylidene)acetohydrazide","Acta Crystallographica Section E","2010","66","6","o1265","o1266","10.1107/S1600536810015084","","","0.71073","MoKα","","0.041","0.036","","","0.083","0.087","","","","","","1.09","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226262","12.8099","0.0012","4.9435","0.0005","21.921","0.002","90","","90","","90","","1388.2","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(2-{[2-(4-Pyridylcarbonyl)hydrazinylidene]methyl}phenoxy)acetic acid","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C60 H52 N12 O16 -","4","1","RK2197","Xia, Jin Hong; Liu, Bao Yu; Liu, Zheng","2-(2-{[2-(4-Pyridylcarbonyl)hydrazinylidene]methyl}phenoxy)acetic acid","Acta Crystallographica Section E","2010","66","6","o1341","","10.1107/S1600536810017083","","","0.71073","MoKα","","0.0379","0.0326","","","0.068","0.0708","","","","","","1.016","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226396","13.128","0.003","7.6293","0.0015","18.898","0.004","90","","90","","90","","1892.8","0.7","113","2","113","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","<i>N</i>-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine","","- C21 H14 Cl F I N3 O -","- C21 H14 Cl F I N3 O -","- C84 H56 Cl4 F4 I4 N12 O4 -","4","1","CV2724","Cai, Zhi-Qiang; Liu, Jing-Guo; Zhou, Wei-Wei; Li, Yi-Liang","<i>N</i>-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine","Acta Crystallographica Section E","2010","66","7","o1810","","10.1107/S1600536810021847","","","0.71073","MoKα","","0.0342","0.03","","","0.066","0.067","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226457","7.856","0.0016","11.542","0.002","32.353","0.007","90","","90","","90","","2933.6","1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(6-Methoxy-2-naphthyl)-1-(2-pyridyl)prop-2-en-1-one","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C152 H120 N8 O16 -","8","2","HB5431","Li, Xiang-biao","3-(6-Methoxy-2-naphthyl)-1-(2-pyridyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","7","o1613","","10.1107/S1600536810016880","","","0.71073","MoKα","","0.16","0.0705","","","0.0669","0.08","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226510","7.458","0.0015","17.821","0.004","10.891","0.002","90","","90","","90","","1447.5","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-(4-Fluorobenzylidene)-<i>N</i>-(4-methoxybenzylidene)-1,3,4-thiadiazol-2-amine","","- C16 H12 F N3 O S -","- C16 H12 F N3 O S -","- C64 H48 F4 N12 O4 S4 -","4","1","HG2691","He, Qiu; An, Kang; Wang, Peng; Yu, Peng; Wan, Rong","2-(4-Fluorobenzylidene)-<i>N</i>-(4-methoxybenzylidene)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2010","66","7","o1716","","10.1107/S160053681002221X","","","0.71073","MoKα","","0.0661","0.0478","","","0.1201","0.1315","","","","","","1.008","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226702","20.3054","0.0009","3.9992","0.0002","25.5743","0.0011","90","","90","","90","","2076.77","0.17","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,4-Dichloro-7,8-dimethylquinoline","","- C11 H9 Cl2 N -","- C11 H9 Cl2 N -","- C88 H72 Cl16 N8 -","8","2","VM2029","Subashini, R.; Khan, F. Nawaz; Reddy, T. Rajashekar; Hathwar, Venkatesha R.; Akkurt, Mehmet","2,4-Dichloro-7,8-dimethylquinoline","Acta Crystallographica Section E","2010","66","7","o1535","","10.1107/S1600536810020386","","","0.71073","MoKα","","0.0819","0.049","","","0.1084","0.1188","","","","","","0.936","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227057","18.735","0.004","10.475","0.002","18.122","0.004","90","","90","","90","","3556.4","1.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-[(2-Hydroxy-1-naphthyl)(pyrrolidin-1-yl)methyl]benzonitrile","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","2","RZ2464","Xue, Meng Wei","3-[(2-Hydroxy-1-naphthyl)(pyrrolidin-1-yl)methyl]benzonitrile","Acta Crystallographica Section E","2010","66","8","o2006","","10.1107/S1600536810026152","","","0.71073","MoKα","","0.1173","0.0635","","","0.1285","0.1494","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227103","17.3539","0.0015","6.332","0.0004","9.8613","0.0007","90","","90","","90","","1083.61","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-<i>N</i>'-(2-Hydroxybenzylidene)furan-2-carbohydrazide","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","VM2028","Bikas, Rahman; Hosseini Monfared, Hassan; Kazak, Canan; Arslan, N. Burcu; Bijanzad, Keyvan","(<i>E</i>)-<i>N</i>'-(2-Hydroxybenzylidene)furan-2-carbohydrazide","Acta Crystallographica Section E","2010","66","8","o2015","","10.1107/S1600536810024839","","","0.71073","MoKα","","0.0485","0.0268","","","0.0395","0.0426","","","","","","0.812","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227183","12.157","0.005","11.483","0.005","14.964","0.007","90","","90","","90","","2089","1.6","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5<i>H</i>-Thiochromeno[2,3-<i>b</i>]pyridine-5,10,10-trione","","- C12 H7 N O3 S -","- C12 H7 N O3 S -","- C96 H56 N8 O24 S8 -","8","2","BQ2235","Khan, Muhammad Naeem; Tahir, M. Nawaz; Khan, Misbahul Ain; Rehman, Salma; Ather, Abdul Qayyum","5<i>H</i>-Thiochromeno[2,3-<i>b</i>]pyridine-5,10,10-trione","Acta Crystallographica Section E","2010","66","10","o2673","o2674","10.1107/S1600536810038171","","","0.71073","MoKα","","0.065","0.0414","","","0.0852","0.0942","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227207","24.5688","0.0004","10.5945","0.0002","8.4238","0.0002","90","","90","","90","","2192.67","0.08","153","2","153","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Hydroxyethanaminium 2,4-dinitrophenolate hemihydrate","","- C8 H12 N3 O6.5 -","- C8 H12 N3 O6.5 -","- C64 H96 N24 O52 -","8","2","BT5319","Yan, Yong; Han, Guoxia","2-Hydroxyethanaminium 2,4-dinitrophenolate hemihydrate","Acta Crystallographica Section E","2010","66","9","o2342","","10.1107/S1600536810031983","","","0.71073","MoKα","","0.0239","0.0237","","","0.0655","0.0658","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227214","10.6659","0.0005","15.979","0.0008","7.4632","0.0004","90","","90","","90","","1271.96","0.11","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3,5-Bis(4-hydroxyphenyl)-4<i>H</i>-1,2,4-triazol-4-amine monohydrate","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C56 H56 N16 O12 -","4","1","BT5326","Silong, Sidik; Ab. Rahman, Mohamad Zaki; Hj Ahmad, Mansor; Kwong, Huey Chong; Ng, Seik Weng","3,5-Bis(4-hydroxyphenyl)-4<i>H</i>-1,2,4-triazol-4-amine monohydrate","Acta Crystallographica Section E","2010","66","9","o2469","","10.1107/S1600536810032915","","","1.54178","CuKα","","0.0379","0.0343","","","0.0931","0.0965","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227356","15.009","0.005","3.8181","0.0013","10.694","0.003","90","","90","","90","","612.8","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>o</i>-Benzoquinone dioxime","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","CV2766","Gervasio, Giuliana; Marabello, Domenica; Bertolotti, Federica","<i>o</i>-Benzoquinone dioxime","Acta Crystallographica Section E","2010","66","11","o2764","","10.1107/S1600536810039619","","","0.71073","MoKα","","0.0378","0.0336","","","0.0798","0.082","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227488","19.6424","0.0007","23.2687","0.0008","6.5897","0.0002","90","","90","","90","","3011.84","0.17","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(3,5-dinitrobenzoato- κ<i>O</i>^1^)copper(II) tetrahydrofuran monosolvate","","- C28 H24 Cu N6 O14 -","- C28 H24 Cu N6 O14 -","- C112 H96 Cu4 N24 O56 -","4","1","HB5590","Abdullah, Norbani; Mohamadin, M. I.; Safwan, A. P.; Tiekink, Edward R. T.","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(3,5-dinitrobenzoato-κ<i>O</i>^1^)copper(II) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2010","66","9","m1055","m1056","10.1107/S1600536810030436","","","0.71073","MoKα","","0.065","0.06","","","0.133","0.134","","","","","","1.28","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2227504","11.74","0.006","4.641","0.002","33.451","0.015","90","","90","","90","","1822.6","1.5","98","2","98","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(4-Chlorophenyl)acetic acid‒2-{(<i>E</i>)-[(<i>E</i>)-2-(2-pyridylmethylidene)hydrazin-1- ylidene]methyl}pyridine (1/1)","","- C20 H17 Cl N4 O2 -","- C20 H17 Cl N4 O2 -","- C80 H68 Cl4 N16 O8 -","4","1","HB5608","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","2-(4-Chlorophenyl)acetic acid‒2-{(<i>E</i>)-[(<i>E</i>)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (1/1)","Acta Crystallographica Section E","2010","66","9","o2356","","10.1107/S1600536810032721","","","0.71073","MoKα","","0.065","0.057","","","0.109","0.113","","","","","","1.14","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227555","9.943","0.002","11.839","0.002","9.6514","0.0019","90","","90","","90","","1136.1","0.4","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>N</i>-Phenylcyclohexanecarboxamide","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","HB5665","Dong, Bin; Zhang, Yu; Wang, Dong-Yu","<i>N</i>-Phenylcyclohexanecarboxamide","Acta Crystallographica Section E","2010","66","11","o2763","","10.1107/S1600536810039267","","","0.71073","MoKα","","0.036","0.0326","","","0.0775","0.0797","","","","","","1.09","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227611","15.5889","0.0003","10.5707","0.0002","7.5388","0.0002","90","","90","","90","","1242.29","0.05","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,5-Dimethyl-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","HG2724","Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.","2,5-Dimethyl-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one","Acta Crystallographica Section E","2010","66","11","o2882","","10.1107/S1600536810041772","","","1.54184","CuKα","","0.0462","0.0453","","","0.1269","0.1291","","","","","","1.092","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227619","26.567","0.005","9.6752","0.0019","17.329","0.004","90","","90","","90","","4454.3","1.6","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-[11-(4-Chlorophenyl)-11,12- dihydrobenzo[<i>c</i>]phenanthridin-6-yl]benzamide","","- C30 H21 Cl N2 O -","- C30 H21 Cl N2 O -","- C240 H168 Cl8 N16 O8 -","8","2","HG2734","Zhang, Min; Wu, Xiang-Yang; Yang, Liu-Qing","<i>N</i>-[11-(4-Chlorophenyl)-11,12-dihydrobenzo[<i>c</i>]phenanthridin-6-yl]benzamide","Acta Crystallographica Section E","2010","66","11","o2973","o2974","10.1107/S1600536810043485","","","0.71073","MoKα","","0.0428","0.0396","","","0.1003","0.1026","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227687","31.587","0.005","6.3168","0.001","7.8396","0.0012","90","","90","","90","","1564.2","0.4","100","1","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","(<i>E</i>)-2-[4-(Piperidin-1-yl)benzylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","(<i>E</i>)-2-[4-(Piperidin-1-yl)benzylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","IS2615","Ali, Mohamed Ashraf; Ismail, Rusli; Choon, Tan Soo; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(<i>E</i>)-2-[4-(Piperidin-1-yl)benzylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2010","66","11","o2878","","10.1107/S1600536810041723","","","0.71073","MoKα","","0.042","0.0382","","","0.0999","0.1026","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227795","35.053","0.002","3.8463","0.0002","9.9482","0.0006","90","","90","","90","","1341.26","0.13","100","0.1","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Ethyl-6-[3-(4-fluorophenyl)-1<i>H</i>-pyrazol-4-yl]-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C14 H11 F N6 S -","- C14 H11 F N6 S -","- C56 H44 F4 N24 S4 -","4","1","LH5142","Fun, Hoong-Kun; Quah, Ching Kheng; Malladi, Shridhar; Isloor, Arun M.","3-Ethyl-6-[3-(4-fluorophenyl)-1<i>H</i>-pyrazol-4-yl]-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2010","66","11","o2799","o2800","10.1107/S1600536810040067","","","0.71073","MoKα","","0.0564","0.055","","","0.1223","0.1229","","","","","","1.208","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227851","11.4213","0.0004","4.6181","0.0002","37.3048","0.0015","90","","90","","90","","1967.63","0.14","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","bis[4-(3-pyridylmethylideneamino)phenyl]methane","<i>N</i>,<i>N</i>'-Bis(3-pyridylmethylidene)-4,4'-methylenedianiline","","- C25 H20 N4 -","- C25 H20 N4 -","- C100 H80 N16 -","4","1","NK2051","Shah, Kiramat; Raza Shah, Muhammad; Khan, Islam Ullah; Ng, Seik Weng","Orthorhombic modification of bis[4-(3-pyridylmethylideneamino)phenyl]methane","Acta Crystallographica Section E","2010","66","9","o2316","","10.1107/S1600536810032034","","","0.71073","MoKα","","0.0518","0.0382","","","0.098","0.109","","","","","","0.924","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227962","24.001","0.004","8.3769","0.0019","5.7455","0.0011","90","","90","","90","","1155.2","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Phenyl-2-(1<i>H</i>-tetrazol-1-yl)propanoic acid monohydrate","","- C10 H12 N4 O3 -","- C10 H12 N4 O3 -","- C40 H48 N16 O12 -","4","1","RZ2488","Xiao, Jie; Zhao, Hong","3-Phenyl-2-(1<i>H</i>-tetrazol-1-yl)propanoic acid monohydrate","Acta Crystallographica Section E","2010","66","10","o2690","","10.1107/S1600536810038468","","","0.71073","MoKα","","0.0559","0.0448","","","0.0925","0.0975","","","","","","1.106","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227991","14.193","0.01","10.699","0.01","7.677","0.006","90","","90","","90","","1165.8","1.6","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(<i>o</i>-Tolylamino)benzaldehyde","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","SI2297","Wang, Li-Ying; Xie, Yong-Sheng; Wu, Ren-Min; Zuo, Hua","4-(<i>o</i>-Tolylamino)benzaldehyde","Acta Crystallographica Section E","2010","66","11","o2827","","10.1107/S1600536810040626","","","0.71073","MoKα","","0.0608","0.05","","","0.1468","0.157","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228124","23.023","0.005","10.195","0.002","9.2005","0.0018","90","","90","","90","","2159.5","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-(Anthracen-9-yl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C29 H21 N3 O2 -","- C29 H21 N3 O2 -","- C116 H84 N12 O8 -","4","1","XU5037","Dong, Bao-Li; Wang, Ming-Liang; Li, Yong-Hua","5-(Anthracen-9-yl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2010","66","11","o2786","","10.1107/S1600536810038912","","","0.71073","MoKα","","0.0565","0.0436","","","0.0899","0.0954","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228247","21.9118","0.0018","4.5705","0.0004","14.3452","0.0012","90","","90","","90","","1436.6","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","[(Pyrrolidin-1-yl)carbothioylsulfanyl]methyl pyrrolidine-1-carbodithioate","","- C11 H18 N2 S4 -","- C11 H18 N2 S4 -","- C44 H72 N8 S16 -","4","1","BV2162","Chou, Wei-Lung; Yih, Kuang-Hway; Lee, Gene-Hsiang; Huang, Yen-Hsiang; Wang, Hsiao-Fen","[(Pyrrolidin-1-yl)carbothioylsulfanyl]methyl pyrrolidine-1-carbodithioate","Acta Crystallographica Section E","2010","66","12","o3193","","10.1107/S1600536810046027","","","0.71073","MoKα","","0.0718","0.0623","","","0.1564","0.1656","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228414","13.2385","0.0005","3.8307","0.0002","26.2464","0.0009","90","","90","","90","","1331.03","0.1","185","1","185","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Chlorobenzoic acid‒quinoline (1/1)","","- C16 H12 Cl N O2 -","- C16 H12 Cl N O2 -","- C64 H48 Cl4 N4 O8 -","4","1","IM2244","Gotoh, Kazuma; Katagiri, Kaori; Ishida, Hiroyuki","4-Chlorobenzoic acid‒quinoline (1/1)","Acta Crystallographica Section E","2010","66","12","o3190","","10.1107/S1600536810046416","","","0.71075","MoKα","","0.0278","0.0266","","","0.07","0.0709","","","","","","1.073","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228455","10.5753","0.0004","10.8291","0.0004","8.0679","0.0003","90","","90","","90","","923.94","0.06","113","2","113","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-Chloro-1-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C36 H40 Cl4 N4 O4 S4 -","4","1","KP2289","Yang, Chuan-Wei; Yang, Miao; Liu, Deng-Ke; Wang, Ping-Bao","2-Chloro-1-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone","Acta Crystallographica Section E","2010","66","12","o3214","","10.1107/S1600536810046805","","","0.7107","MoKα","","0.0211","0.0201","","","0.0564","0.0568","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228563","9.8493","0.0002","10.0626","0.0002","26.0488","0.0004","90","","90","","90","","2581.69","0.08","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1,4-Bis(2,2':6',2''-terpyridin-4'-yl)benzene","","- C36 H24 N6 -","- C36 H24 N6 -","- C144 H96 N24 -","4","1","SJ5055","Fernandes, José A.; Almeida Paz, Filipe A.; Lima, Patrícia P.; Alves Jr, Severino; Carlos, Luís D.","1,4-Bis(2,2':6',2''-terpyridin-4'-yl)benzene","Acta Crystallographica Section E","2010","66","12","o3241","o3242","10.1107/S1600536810047598","","","0.71073","MoKα","","0.0604","0.0419","","","0.0984","0.1082","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228899","13.4591","0.0006","4.7834","0.0003","30.4674","0.0014","90","","90","","90","","1961.5","0.18","296","","296","","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-[6-(4-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3]thiazol-2-yl]- <i>N</i>'-[(<i>E</i>)-4-methoxybenzylidene]acetohydrazide","","- C21 H17 Cl N4 O2 S -","- C21 H17 Cl N4 O2 S -","- C84 H68 Cl4 N16 O8 S4 -","4","1","VM2066","Akkurt, Mehmet; Güzeldemirci, Nuray Ulusoy; Karaman, Berin; Büyükgüngör, Orhan","2-[6-(4-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3]thiazol-2-yl]-<i>N</i>'-[(<i>E</i>)-4-methoxybenzylidene]acetohydrazide","Acta Crystallographica Section E","2011","67","1","o184","o185","10.1107/S1600536810052359","","","0.71073","MoKα","","0.0666","0.0588","","","0.1569","0.1642","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228940","16.0338","0.0018","15.6376","0.0018","13.588","0.0015","90","","90","","90","","3406.9","0.7","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1,1'-selenobis(<i>N</i>,<i>N</i>-diethylsulfanecarbothioamide)","<i>N</i>,<i>N</i>- diethyl({[(diethylcarbamothioyl)sulfanyl]selanyl}sulfanyl)carbothioamide","","- C10 H20 N2 S4 Se -","- C10 H20 N2 S4 Se -","- C80 H160 N16 S32 Se8 -","8","2","BH2326","Pöllnitz, Alpar; Varga, Richard A.; Silvestru, Anca","A new orthorhombic polymorph of 1,1'-selenobis(<i>N</i>,<i>N</i>-diethylsulfanecarbothioamide)","Acta Crystallographica Section E","2011","67","2","o411","","10.1107/S1600536811000511","","","0.71073","MoKα","","0.0516","0.0381","","","0.0718","0.0756","","","","","","0.941","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229030","32.321","0.005","5.437","0.002","22.309","0.003","90","","90","","90","","3920.3","1.7","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1<i>RS</i>,6<i>SR</i>)-Ethyl 4-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","","- C21 H17 Cl2 F O3 -","- C21 H17 Cl2 F O3 -","- C168 H136 Cl16 F8 O24 -","8","2","DN2651","Dutkiewicz, Grzegorz; Narayana, B.; Veena, K.; Yathirajan, H. S.; Kubicki, Maciej","(1<i>RS</i>,6<i>SR</i>)-Ethyl 4-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2011","67","2","o445","o446","10.1107/S160053681100184X","","","0.71073","MoKα","","0.0593","0.0392","","","0.097","0.1044","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229035","22.888","0.005","9.4031","0.0019","8.9688","0.0018","90","","90","","90","","1930.2","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol- 1-yl]ethan-1-one","","- C25 H19 N3 O3 -","- C25 H19 N3 O3 -","- C100 H76 N12 O12 -","4","1","FB2230","Dong, Bao-Li; Wang, Ming-Liang; Li, Yong-Hua","1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one","Acta Crystallographica Section E","2011","67","2","o386","","10.1107/S1600536810053365","","","0.71073","MoKα","","0.0441","0.0389","","","0.0935","0.0967","","","","","","1.069","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229123","8.997","0.0007","5.3258","0.0004","20.6307","0.0017","90","","90","","90","","988.55","0.13","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-[4-(2-Chloroethoxy)-2-hydroxyphenyl]ethanone","","- C10 H11 Cl O3 -","- C10 H11 Cl O3 -","- C40 H44 Cl4 O12 -","4","1","JH2251","Wang, Li; Jiao, Shuo; Shi, Peng; Wei, Ge-Hong","1-[4-(2-Chloroethoxy)-2-hydroxyphenyl]ethanone","Acta Crystallographica Section E","2011","67","2","o461","","10.1107/S1600536810054632","","","0.71073","MoKα","","0.0867","0.0521","","","0.1228","0.1412","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229208","30.612","0.0018","7.9982","0.0005","25.654","0.0015","90","","90","","90","","6281.1","0.7","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2<i>H</i>-pyran-3-yl)(3- thienyl)methyl]-6-methyl-3,6-dihydro-2<i>H</i>-pyran-2-one","","- C17 H14 O6 S -","- C17 H14 O6 S -","- C272 H224 O96 S16 -","16","4","RZ2545","Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun","4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2<i>H</i>-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2011","67","2","o494","o495","10.1107/S1600536811002716","","","0.71073","MoKα","","0.0492","0.0465","","","0.1284","0.1307","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229374","12.9696","0.0003","7.5229","0.0002","13.3248","0.0004","90","","90","","90","","1300.09","0.06","290","1","290","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","potassium diniobium vanadium phosphorus decasulfide","","- K4 Nb7 P4 S40 V -","- K4 Nb7 P4 S40 V -","- K4 Nb7 P4 S40 V -","1","0.25","FJ2392","Yu, Jaemin; Yun, Hoseop","KNb~1.75~V~0.25~PS~10~","Acta Crystallographica Section E","2011","67","3","i24","","10.1107/S1600536811004430","","","0.71073","MoKα","","","0.019","","","","0.0424","","","","","","1.069","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229445","10.4457","0.0011","8.8245","0.0009","13.2114","0.0015","90","","90","","90","","1217.8","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","<i>N</i>-(2-aminophenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide","4-(2-Aminophenyl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","LH5200","Li, Jian","4-(2-Aminophenyl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","Acta Crystallographica Section E","2011","67","3","o588","","10.1107/S160053681100362X","","","0.71073","MoKα","","0.0616","0.0409","","","0.0781","0.0837","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229466","18.2091","0.0002","15.8998","0.0003","19.0327","0.0003","90","","90","","90","","5510.37","0.15","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Diiodidobis[4-(4-nitrobenzyl)pyridine-κ<i>N</i>^1^]zinc","","- C24 H20 I2 N4 O4 Zn -","- C24 H20 I2 N4 O4 Zn -","- C192 H160 I16 N32 O32 Zn8 -","8","2","NG5114","Smith, Graham; Wermuth, Urs D.; Williams, Michael L.","Diiodidobis[4-(4-nitrobenzyl)pyridine-κ<i>N</i>^1^]zinc","Acta Crystallographica Section E","2011","67","3","m359","","10.1107/S1600536811005939","","","0.71073","MoKα","","0.0516","0.0318","","","0.0532","0.0563","","","","","","0.888","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229561","20.276","0.006","5.7859","0.0017","14.786","0.004","90","","90","","90","","1734.6","0.9","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Benzoyl-3,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","ZQ2084","Zheng, Chang-Zheng; Wang, Liang; Liu, Juan","1-Benzoyl-3,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","3","o556","","10.1107/S1600536811003631","","","0.71073","MoKα","","0.0639","0.0354","","","0.0703","0.0811","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229632","14.2968","0.0017","8.2407","0.001","16.2671","0.0017","90","","90","","90","","1916.5","0.4","116","2","116","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-{[(Biphenyl-2-yl)diazenyl]methylidene}-1,3,3-trimethylindoline","","- C24 H23 N3 -","- C24 H23 N3 -","- C96 H92 N12 -","4","1","EZ2238","Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.","2-{[(Biphenyl-2-yl)diazenyl]methylidene}-1,3,3-trimethylindoline","Acta Crystallographica Section E","2011","67","4","o893","","10.1107/S1600536811008890","","","0.71073","MoKα","","0.0379","0.0374","","","0.0855","0.0858","","","","","","1.228","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229656","10.18","0.005","9.87","0.005","20.049","0.003","90","","90","","90","","2014.5","1.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Chloro-6-{2-[cyclopentylidene]hydrazin-1-yl}pyridazine","","- C9 H11 Cl N4 -","- C9 H11 Cl N4 -","- C72 H88 Cl8 N32 -","8","2","GK2360","Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof","3-Chloro-6-[2-(cyclopentylidene)hydrazin-1-yl]pyridazine","Acta Crystallographica Section E","2011","67","4","o1020","","10.1107/S1600536811011342","","","0.71073","MoKα","","0.0965","0.0499","","","0.1031","0.1201","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229895","12.5066","0.0006","3.8833","0.0002","27.9659","0.0014","90","","90","","90","","1358.22","0.12","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ammonium 2-aminopyrazine-3-carboxylate","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C40 H64 N32 O16 -","8","2","ZL2357","Lutz, Martin; Jakobi, Arjen J.","Ammonium 2-aminopyrazine-3-carboxylate","Acta Crystallographica Section E","2011","67","4","o984","","10.1107/S1600536811010865","","","0.71073","MoKα","","0.0266","0.0255","","","0.0709","0.0721","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229936","10.1392","0.0004","9.1398","0.0004","34.8462","0.0015","90","","90","","90","","3229.2","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-{2-[(3-Phenylquinoxalin-2-yl)oxy]ethyl}-1,3-oxazolidin-2-one","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C152 H136 N24 O24 -","8","2","BT5521","Daouda, Ballo; Brelot, Lydia; Doumbia, Mouhamadou Lamine; Essassi, El Mokhtar; Ng, Seik Weng","3-{2-[(3-Phenylquinoxalin-2-yl)oxy]ethyl}-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2011","67","5","o1235","","10.1107/S1600536811014632","","","0.71073","MoKα","","0.058","0.0473","","","0.1152","0.1225","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230320","9.0625","0.0002","5.5777","0.0002","23.2349","0.0006","90","","90","","90","","1174.48","0.06","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[1-(3-Aminophenylimino)ethyl]phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","FY2009","Blagus, Anita; Kaitner, Branko","2-[1-(3-Aminophenylimino)ethyl]phenol","Acta Crystallographica Section E","2011","67","6","o1423","","10.1107/S1600536811017624","","","0.71069","MoKα","","0.0364","0.0304","","","0.079","0.0867","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230353","8.6999","0.0002","14.1805","0.0003","9.1392","0.0003","90","","90","","90","","1127.49","0.05","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Methyl-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","HG5032","Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.","5-Methyl-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1325","","10.1107/S1600536811016229","","","1.54184","CuKα","","0.0381","0.0368","","","0.1043","0.1064","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230445","13.112","0.0014","5.9366","0.0006","25.538","0.003","90","","90","","90","","1987.9","0.4","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Dibenzyl ferrocene-1,1'-dicarboxylate","","- C26 H22 Fe O4 -","- C26 H22 Fe O4 -","- C104 H88 Fe4 O16 -","4","1","PV2401","Patrick, Brian O.; Rock, Chris; Abd-El-Aziz, Alaa S.","Dibenzyl ferrocene-1,1'-dicarboxylate","Acta Crystallographica Section E","2011","67","6","m741","","10.1107/S1600536811016588","","","0.71073","MoKα","","0.0568","0.0354","","","0.0639","0.0699","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230471","14.2083","0.0015","16.3332","0.0017","10.1321","0.001","90","","90","","90","","2351.3","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Bis(2,6-diisopropylphenyl) sulfite","","- C24 H34 O3 S -","- C24 H34 O3 S -","- C96 H136 O12 S4 -","4","1","RZ2600","Zhang, Jing-Yu; Hou, Xuehui; Wang, Zheguang","Bis(2,6-diisopropylphenyl) sulfite","Acta Crystallographica Section E","2011","67","6","o1493","","10.1107/S160053681101885X","","","0.71073","MoKα","","0.0736","0.0436","","","0.1019","0.1192","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230524","14.5434","0.0014","5.8198","0.0006","23.045","0.002","90","","90","","90","","1950.5","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","<i>N</i>-(Pyridin-2-ylmethyl)pyridin-2-amine","","- C11 H11 N3 -","- C11 H11 N3 -","- C88 H88 N24 -","8","2","WN2432","Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min","<i>N</i>-(Pyridin-2-ylmethyl)pyridin-2-amine","Acta Crystallographica Section E","2011","67","6","o1355","","10.1107/S1600536811016874","","","0.71073","MoKα","","0.0681","0.0541","","","0.1167","0.1243","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230611","11.2265","0.0002","21.763","0.0005","14.8001","0.0004","90","","90","","90","","3615.99","0.14","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-4-<i>tert</i>-butyl-2-(4-methoxybenzylidene)-3,4- dihydronaphthalen-1(2<i>H</i>)-one","","- C22 H24 O2 -","- C22 H24 O2 -","- C176 H192 O16 -","8","2","DN2694","Akhazzane, Mohamed; Zouihri, Hafid; Daoudi, Maria; Kerbal, Abdelali; Al Houari, Ghali","(2<i>E</i>)-4-<i>tert</i>-Butyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1828","","10.1107/S1600536811021969","","","0.71073","MoKα","","0.0863","0.0556","","","0.1322","0.1473","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230745","13.8568","0.0003","5.0379","0.0001","26.8582","0.0005","90","","90","","90","","1874.95","0.07","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C72 H88 N24 O24 -","8","2","IS2735","Fun, Hoong-Kun; Yeap, Chin Sing; Malladi, Shridhar; Isloor, Arun M.","(<i>E</i>)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2011","67","7","o1786","","10.1107/S1600536811024068","","","0.71073","MoKα","","0.0415","0.0369","","","0.0949","0.0979","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230873","18.107","0.0012","10.3025","0.0009","9.615","0.0006","90","","90","","90","","1793.7","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,2-Diphenyl-4-(piperidin-1-yl)butanamide","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C84 H104 N8 O4 -","4","1","SJ5167","Siddegowda, M. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Swamy, M. T.","2,2-Diphenyl-4-(piperidin-1-yl)butanamide","Acta Crystallographica Section E","2011","67","7","o1827","","10.1107/S1600536811024585","","","0.71073","MoKα","","0.0385","0.0355","","","0.0987","0.1022","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230958","12.0278","0.0004","11.591","0.0003","9.5566","0.0003","90","","90","","90","","1332.33","0.07","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(Naphthalen-1-ylamino)cyclohexanol","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","ZL2377","Outouch, Rachid; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado","2-(Naphthalen-1-ylamino)cyclohexanol","Acta Crystallographica Section E","2011","67","7","o1628","","10.1107/S1600536811021714","","","1.54178","CuKα","","0.0302","0.0297","","","0.086","0.0867","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231028","19.2938","0.0007","6.0438","0.0002","12.9812","0.0005","90","","90","","90","","1513.71","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(4-Methylphenylsulfonyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C64 H64 N8 O8 S4 -","4","1","BV2186","Li, Jie; Zhao, Wei","1-(4-Methylphenylsulfonyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","8","o1898","","10.1107/S1600536811025001","","","0.71073","MoKα","","0.0435","0.0344","","","0.0753","0.0812","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231335","18.7988","0.0017","5.9314","0.0006","12.5083","0.001","90","","90","","90","","1394.7","0.2","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-<i>N</i>-(Ferrocenylmethylidene)(pyridin-3-yl)methanamine","","- C17 H16 Fe N2 -","- C17 H16 Fe N2 -","- C68 H64 Fe4 N8 -","4","1","VM2107","Adams, Nadia; Gerber, Thomas; McCleland, Cedric; Betz, Richard","(<i>E</i>)-<i>N</i>-(Ferrocenylmethylidene)(pyridin-3-yl)methanamine","Acta Crystallographica Section E","2011","67","8","m1084","","10.1107/S1600536811027346","","","0.71069","MoKα","","0.0435","0.0329","","","0.0705","0.0731","","","","","","0.942","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231351","30.024","0.005","5.9898","0.0009","7.6862","0.0011","90","","90","","90","","1382.3","0.4","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[(<i>E</i>)-4-(Dimethylamino)benzylidene]indan-1-one","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","WN2441","Ali, Mohamed Ashraf; Ismail, Rusli; Choon, Tan Soo; Loh, Wan-Sin; Fun, Hoong-Kun","2-[(<i>E</i>)-4-(Dimethylamino)benzylidene]indan-1-one","Acta Crystallographica Section E","2011","67","8","o1983","o1984","10.1107/S160053681102664X","","","0.71073","MoKα","","0.0544","0.0374","","","0.0891","0.0992","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231491","14.4061","0.0015","8.4461","0.001","36.787","0.004","90","","90","","90","","4476.1","0.9","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,4,6-Trimethylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","","- C22 H21 N3 O8 -","- C22 H21 N3 O8 -","- C176 H168 N24 O64 -","8","2","HB6339","Abbasi, Muhammad Athar; Nazir, Kenneth; Akkurt, Mehmet; Aziz-ur-Rehman; Khan, Islam Ullah; Mustafa, Ghulam","2,4,6-Trimethylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","Acta Crystallographica Section E","2011","67","9","o2375","","10.1107/S1600536811032922","","","0.71073","MoKα","","0.1402","0.0444","","","0.0791","0.1017","","","","","","0.794","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231511","18.6896","0.0009","15.025","0.0007","8.4679","0.0004","90","","90","","90","","2377.88","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-1-(4-Chlorobenzylidene)-2-phenylhydrazine","","- C13 H11 Cl N2 -","- C13 H11 Cl N2 -","- C104 H88 Cl8 N16 -","8","2","HB6364","Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Tariq, Riaz H.; Sarfraz, Muhammad","(<i>E</i>)-1-(4-Chlorobenzylidene)-2-phenylhydrazine","Acta Crystallographica Section E","2011","67","9","o2377","","10.1107/S1600536811032958","","","0.71073","MoKα","","0.1277","0.046","","","0.0803","0.107","","","","","","0.957","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231586","9.6986","0.0005","13.0751","0.0006","14.3446","0.0005","90","","90","","90","","1819.04","0.14","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>rac</i>-Phenyl (benzylamido)(<i>p</i>-tolylamido)phosphinate","","- C20 H21 N2 O2 P -","- C20 H21 N2 O2 P -","- C80 H84 N8 O8 P4 -","4","1","LD2023","Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Nečas, Marek","<i>rac</i>-Phenyl (benzylamido)(<i>p</i>-tolylamido)phosphinate","Acta Crystallographica Section E","2011","67","9","o2523","","10.1107/S1600536811034465","","","0.71073","MoKα","","0.046","0.0408","","","0.0974","0.099","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231920","17.8088","0.0012","9.4003","0.0004","15.5798","0.0008","90","","90","","90","","2608.2","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Poly[[[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-2,6-dimethylpyridine-3,5-dicarboxylato- κ^2^<i>O</i>^3^:<i>O</i>^5^)zinc] dihydrate]","","- C19 H25 N5 O6 Zn -","- C19 H23 N5 O6 Zn -","- C76 H92 N20 O24 Zn4 -","4","1","HY2452","Yue, Yu-Mei; Qian, Lei; Zhu, Zheng-Hao; Wang, Cheng; Gao, Ting","Poly[[[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-2,6-dimethylpyridine-3,5-dicarboxylato-κ^2^<i>O</i>^3^:<i>O</i>^5^)zinc] dihydrate]","Acta Crystallographica Section E","2011","67","10","m1471","m1472","10.1107/S1600536811039481","","","0.71073","MoKα","","0.0773","0.0619","","","0.162","0.1746","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231985","15.2116","0.0002","12.1422","0.0002","8.3497","0.0001","90","","90","","90","","1542.21","0.04","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Amino-4,6-dimethoxypyrimidin-1-ium <i>p</i>-toluenesulfonate","","- C13 H17 N3 O5 S -","- C13 H17 N3 O5 S -","- C52 H68 N12 O20 S4 -","4","1","LH5333","Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas","2-Amino-4,6-dimethoxypyrimidin-1-ium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2011","67","10","o2679","o2680","10.1107/S160053681103755X","","","0.71073","MoKα","","0.0476","0.0354","","","0.0908","0.0979","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232084","26.087","0.003","5.9585","0.0008","7.8146","0.001","90","","90","","90","","1214.7","0.3","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","7<i>H</i>-1-Benzofuro[2,3-<i>b</i>]carbazole","","- C18 H11 N O -","- C18 H11 N O -","- C72 H44 N4 O4 -","4","1","VM2122","Panchatcharam, R.; Dhayalan, V.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.","7<i>H</i>-1-Benzofuro[2,3-<i>b</i>]carbazole","Acta Crystallographica Section E","2011","67","10","o2797","","10.1107/S1600536811039018","","","0.71073","MoKα","","0.0411","0.0333","","","0.0798","0.0842","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232194","12.596","0.002","11.276","0.002","8.0936","0.0012","90","","90","","90","","1149.6","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(1,3-Benzothiazol-2-yl)guanidin-2-ium acetate","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","BX2373","Horton, Peter N.; Coles, Simon J.; Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Soliman, A. M.","2-(1,3-Benzothiazol-2-yl)guanidin-2-ium acetate","Acta Crystallographica Section E","2011","67","11","o2920","","10.1107/S160053681104089X","","","0.71073","MoKα","","0.1397","0.0776","","","0.1296","0.1541","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232384","31.125","0.003","3.756","0.0003","12.3615","0.0012","90","","90","","90","","1445.1","0.2","185","1","185","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Chloro-4-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C64 H44 Cl4 N8 O16 -","4","1","LH5345","Gotoh, Kazuma; Ishida, Hiroyuki","2-Chloro-4-nitrobenzoic acid‒quinoline (1/1)","Acta Crystallographica Section E","2011","67","11","o2883","","10.1107/S160053681104075X","","","0.71075","MoKα","","0.0493","0.0416","","","0.0797","0.0831","","","","","","1.063","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232585","15.9987","0.0013","8.56","0.002","22.951","0.003","90","","90","","90","","3143.1","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,7-Bis(2,6-diisopropylphenyl)benzo[<i>lmn</i>][3,8]phenanthroline- 1,3,6,8(2<i>H</i>,7<i>H</i>)-tetraone","","- C38 H38 N2 O4 -","- C38 H38 N2 O4 -","- C152 H152 N8 O16 -","4","1","BT5694","Wu, Xiang-Xiang; Zhang, Shu-Ling; Ng, Seik Weng","2,7-Bis(2,6-diisopropylphenyl)benzo[<i>lmn</i>][3,8]phenanthroline-1,3,6,8(2<i>H</i>,7<i>H</i>)-tetraone","Acta Crystallographica Section E","2011","67","12","o3173","","10.1107/S1600536811045065","","","0.71073","MoKα","","0.0631","0.0579","","","0.1399","0.1438","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232716","9.2274","0.0008","15.0109","0.0009","9.2681","0.0003","90","","90","","90","","1283.74","0.14","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(3,4-Dimethoxyphenyl)-1<i>H</i>-benzimidazole","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","HB6490","Khalaji, Aliakbar Dehno; Foroghnia, Alireza; Khalilzadeh, Mohammad Ali; Fejfarová, Karla; Dušek, Michal","2-(3,4-Dimethoxyphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2011","67","12","o3255","","10.1107/S1600536811046897","","","1.5418","CuKα","","0.0273","0.0262","","","0.0705","0.0716","","","","","","1.46","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232831","10.962","0.005","16.663","0.005","8.079","0.005","90","","90","","90","","1475.7","1.2","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>,<i>N</i>'-Dicyclopentyl-<i>N</i>'',<i>N</i>''-dimethylphosphoric triamide","","- C12 H26 N3 O P -","- C12 H26 N3 O P -","- C48 H104 N12 O4 P4 -","4","1","LD2034","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Ghoreishi, Farnaz; Vahdani, Banafsheh","<i>N</i>,<i>N</i>'-Dicyclopentyl-<i>N</i>'',<i>N</i>''-dimethylphosphoric triamide","Acta Crystallographica Section E","2011","67","12","o3401","","10.1107/S1600536811048549","","","0.71069","MoKα","","0.1074","0.0561","","","0.0957","0.108","","","","","","0.883","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232924","14.458","0.007","10.187","0.005","10.67","0.005","90","","90","","90","","1571.5","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[2-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","","- C15 H21 N2 O4 -","- C15 H21 N2 O4 -","- C60 H84 N8 O16 -","4","1","RK2315","Jing, Lin-Lin; Ma, Hui-Ping; He, Lei; Fan, Peng-Cheng; Jia, Zheng-Ping","2-[2-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","Acta Crystallographica Section E","2011","67","12","o3503","","10.1107/S1600536811050860","","","0.71073","MoKα","","0.0572","0.0422","","","0.0976","0.1068","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233106","14.0658","0.0004","9.599","0.0003","11.2657","0.0003","90","","90","","90","","1521.07","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3<i>S</i>*,4<i>S</i>*,<i>E</i>)-<i>tert</i>-Butyl 3,4-dibromo-5-oxocyclooct-1-enecarboxylate","","- C13 H18 Br2 O3 -","- C13 H18 Br2 O3 -","- C52 H72 Br8 O12 -","4","1","BT5753","Blanco, Magda; Garrido, Narciso M.; Sanz, Francisca; Diez, David","(3<i>S</i>*,4<i>S</i>*,<i>E</i>)-<i>tert</i>-Butyl 3,4-dibromo-5-oxocyclooct-1-enecarboxylate","Acta Crystallographica Section E","2012","68","1","o232","","10.1107/S1600536811053852","","","1.54178","CuKα","","0.0291","0.0289","","","0.0741","0.0746","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233176","7.5091","0.0015","11.041","0.002","21.38","0.004","90","","90","","90","","1772.6","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Chloro-1<i>H</i>-indol-3-yl)acetonitrile","","- C10 H7 Cl N2 -","- C10 H7 Cl N2 -","- C80 H56 Cl8 N16 -","8","2","HB6554","Pan, Mei-Ling; Li, Xiang; Luo, Yang-Hui","2-(4-Chloro-1<i>H</i>-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o203","","10.1107/S1600536811054079","","","0.71073","MoKα","","0.0796","0.0475","","","0.0984","0.1108","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233387","11.9274","0.0003","15.6064","0.0006","7.2949","0.0003","90","","90","","90","","1357.9","0.08","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl (2<i>E</i>)-2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-3- phenylprop-2-enoate","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C56 H52 N4 O16 S4 -","4","1","BT5778","Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (2<i>E</i>)-2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-3-phenylprop-2-enoate","Acta Crystallographica Section E","2012","68","2","o328","o329","10.1107/S1600536812000578","","","0.71073","MoKα","","0.0366","0.03","","","0.0778","0.0819","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233477","16.1869","0.0005","10.8467","0.0003","15.9353","0.0004","90","","90","","90","","2797.83","0.14","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(<i>N</i>-Cyclohexylcarbamoyl)benzenesulfonamide","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C104 H144 N16 O24 S8 -","8","2","HB6585","Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Siddiqui, Hamid Latif; Akram, Muhammad; Parvez, Masood","2-(<i>N</i>-Cyclohexylcarbamoyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o370","","10.1107/S1600536812000633","","","0.71073","MoKα","","0.062","0.0533","","","0.1031","0.1103","","","","","","1.14","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233479","21.814","0.004","9.0079","0.0015","13.188","0.002","90","","90","","90","","2591.4","0.8","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 2-[(2,4-difluorophenyl)hydrazinylidene]-3-oxobutanoate","","- C12 H12 F2 N2 O3 -","- C12 H12 F2 N2 O3 -","- C96 H96 F16 N16 O24 -","8","2","HB6590","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna","Ethyl 2-[(2,4-difluorophenyl)hydrazinylidene]-3-oxobutanoate","Acta Crystallographica Section E","2012","68","2","o422","","10.1107/S1600536812000803","","","0.71073","MoKα","","0.1416","0.0648","","","0.166","0.2191","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233723","17.9907","0.0018","5.0898","0.0004","13.2564","0.001","90","","90","","90","","1213.88","0.18","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","BH2411","Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa","(<i>E</i>)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol","Acta Crystallographica Section E","2012","68","3","o578","","10.1107/S1600536812003212","","","0.71073","MoKα","","0.051","0.0374","","","0.0784","0.0837","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233777","11.015","0.002","17.995","0.003","16.128","0.003","90","","90","","90","","3196.8","1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato](1,10- phenanthroline)nickel(II)","","- C32 H26 N10 Ni O4 S2 -","- C32 H26 N10 Ni O4 S2 -","- C128 H104 N40 Ni4 O16 S8 -","4","1","EZ2279","Hu, Xiu-Feng; Bing, Yue; Li, Xing; Kong, Zu-Ping","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato](1,10-phenanthroline)nickel(II)","Acta Crystallographica Section E","2012","68","3","m348","m349","10.1107/S1600536812008185","","","0.71073","MoKα","","0.0722","0.044","","","0.0965","0.1101","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233788","36.1068","0.0001","6.8748","0.0001","8.4813","0.0004","90","","90","","90","","2105.29","0.1","90","0.2","90","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>Z</i>)-2-{2,4-Dimethoxy-6-[(<i>E</i>)-4- methoxystyryl]benzylidene}quinuclidin-3-one","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C100 H108 N4 O16 -","4","1","FJ2476","Madadi, Nikhil Reddy; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-{2,4-Dimethoxy-6-[(<i>E</i>)-4-methoxystyryl]benzylidene}quinuclidin-3-one","Acta Crystallographica Section E","2012","68","3","o730","","10.1107/S1600536812005843","","","0.71073","MoKα","","0.0406","0.0351","","","0.087","0.0904","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233815","9.144","0.003","11.727","0.004","9.823","0.003","90","","90","","90","","1053.3","0.6","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","poly[[μ~4~-nitrilotris(methylenephosphonic acid)(3-)]lanthanum(III)]","poly[(μ~4~-{[bis(hydrogen phosphonatomethyl)azaniumyl]methyl}phosphonato)lanthanum(III)]","","- C3 H9 La N O9 P3 -","- C3 H9 La N O9 P3 -","- C12 H36 La4 N4 O36 P12 -","4","1","GK2450","Silva, Patrícia; Fernandes, José A.; Almeida Paz, Filipe A.","Redetermination at 180K of a layered lanthanide‒organic framework","Acta Crystallographica Section E","2012","68","3","m294","m295","10.1107/S1600536812005508","","","0.71073","MoKα","","0.077","0.0468","","","0.0958","0.1087","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233930","13.0225","0.0013","5.7767","0.0006","21.708","0.002","90","","90","","90","","1633","0.3","100","1","100","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine","","- C7 H6 Cl N3 S -","- C7 H6 Cl N3 S -","- C56 H48 Cl8 N24 S8 -","8","2","LH5415","Fun, Hoong-Kun; Ooi, Chin Wei; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine","Acta Crystallographica Section E","2012","68","3","o691","o692","10.1107/S1600536812005442","","","0.71073","MoKα","","0.0198","0.0194","","","0.0518","0.0522","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233963","29.192","0.004","3.911","0.0003","11.2025","0.0007","90","","90","","90","","1279","0.2","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-2-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]-2,3-dihydro-1<i>H</i>- inden-1-one","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","PV2516","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","3","o814","","10.1107/S1600536812007131","","","0.71073","MoKα","","0.0489","0.0421","","","0.0969","0.1012","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234111","39.76","0.02","9.952","0.008","7.127","0.005","90","","90","","90","","2820","3","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","dihydrochloride fluphenazine dimethanol solvate","1-(2-hydroxyethyl)-4-[3-(2-trifluoromethyl-10<i>H</i>-phenothiazin- 10-yl)propyl]piperazine-1,4-diium dichloride dimethanol disolvate","","- C24 H36 Cl2 F3 N3 O3 S -","- C24 H36 Cl2 F3 N3 O3 S -","- C96 H144 Cl8 F12 N12 O12 S4 -","4","1","BT5828","Petrus, Joanna; Petrus, Rafał; Czarnik-Matusewicz, Bogusława","Fluphenazine dihydrochloride dimethanol solvate","Acta Crystallographica Section E","2012","68","4","o1004","o1005","10.1107/S1600536812008707","","","0.71073","MoKα","","0.1095","0.0836","","","0.1891","0.1973","","","","","","1.187","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234247","21.3909","0.0013","3.8653","0.0002","12.4514","0.0008","90","","90","","90","","1029.51","0.11","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3,5-Dimethyl-1-(4-nitrophenyl)-1<i>H</i>-pyrazole","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","HG5187","Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","3,5-Dimethyl-1-(4-nitrophenyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2012","68","4","o1018","","10.1107/S1600536812009579","","","0.71073","MoKα","","0.0398","0.0371","","","0.0976","0.1009","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234268","10.5189","0.0005","8.1339","0.0003","20.0009","0.0013","90","","90","","90","","1711.27","0.15","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-[5-Amino-4-(4-fluorophenyl)-3-(pyridin-4-yl)-1<i>H</i>- pyrazol-1-yl]benzonitrile","","- C21 H14 F N5 -","- C21 H14 F N5 -","- C84 H56 F4 N20 -","4","1","IM2359","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-[5-Amino-4-(4-fluorophenyl)-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-1-yl]benzonitrile","Acta Crystallographica Section E","2012","68","4","o935","","10.1107/S160053681200877X","","","1.54178","CuKα","","0.0387","0.0381","","","0.1022","0.103","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234562","23.398","0.005","5.8343","0.0012","7.3934","0.0015","90","","90","","90","","1009.3","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(pyridin-4-ylmethoxy)phenol","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","CV5271","Wang, Guang-Tu; Zhang, Yong; Yang, Jin-Xin; Zou, Ping; Hou, Guang-Feng","A second orthorhombic polymorph of 2-(pyridin-4-ylmethoxy)phenol","Acta Crystallographica Section E","2012","68","5","o1366","","10.1107/S1600536812014067","","","0.71073","MoKα","","0.0906","0.0427","","","0.0662","0.0769","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234601","30.0601","0.0009","9.9321","0.0003","18.2054","0.0006","90","","90","","90","","5435.4","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,1,2,2-Tetrakis(dimethylamino)ethane-1,2-diium bis(tetraphenylborate) acetone disolvate","","- C64 H76 B2 N4 O2 -","- C64 H76 B2 N4 O2 -","- C256 H304 B8 N16 O8 -","4","1","FK2058","Tiritiris, Ioannis; Kantlehner, Willi","1,1,2,2-Tetrakis(dimethylamino)ethane-1,2-diium bis(tetraphenylborate) acetone disolvate","Acta Crystallographica Section E","2012","68","5","o1371","","10.1107/S1600536812015085","","","0.71073","MoKα","","0.0646","0.0455","","","0.1","0.1088","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234692","10.2307","0.001","9.3038","0.0011","20.652","0.002","90","","90","","90","","1965.7","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 2-({6-[(1-methoxy-2-methyl-1-oxopropan-2- yl)carbamoyl]pyridin-2-yl}formamido)-2-methylpropanoate","","- C17 H23 N3 O6 -","- C17 H23 N3 O6 -","- C68 H92 N12 O24 -","4","1","IS5109","Al-Omar, Mohamed A.; Amr, Abdel-Galil E.; Ghabbour, Hazem A.; Quah, Ching Kheng; Fun, Hoong-Kun","Methyl 2-({6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridin-2-yl}formamido)-2-methylpropanoate","Acta Crystallographica Section E","2012","68","5","o1377","o1378","10.1107/S1600536812014651","","","1.54178","CuKα","","0.0668","0.0502","","","0.1233","0.1331","","","","","","0.905","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234708","18.3004","0.001","8.3399","0.0007","5.6563","0.0001","90","","90","","90","","863.28","0.09","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1,3-Dimethyl-1<i>H</i>-indazol-6-amine","","- C9 H11 N3 -","- C9 H11 N3 -","- C36 H44 N12 -","4","1","KP2401","Zhang, Xiao-Kai; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke; Wang, Ping-Bao","1,3-Dimethyl-1<i>H</i>-indazol-6-amine","Acta Crystallographica Section E","2012","68","5","o1291","","10.1107/S1600536812013694","","","0.71073","MoKα","","0.0675","0.0546","","","0.1376","0.1487","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234741","33.688","0.0015","4.7962","0.0003","12.3337","0.0006","90","","90","","90","","1992.81","0.18","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,4-Bis[4-(methoxycarbonyl)benzyl]-1<i>H</i>-1,2,4-triazol-4-ium bromide","","- C20 H20 Br N3 O4 -","- C20 H20 Br N3 O4 -","- C80 H80 Br4 N12 O16 -","4","1","NG5263","Guo, Wen-Jiao; Huang, Hua-Rong; Du, Zhi-Yun; Fang, Yan-Xiong; Zhang, Kun","1,4-Bis[4-(methoxycarbonyl)benzyl]-1<i>H</i>-1,2,4-triazol-4-ium bromide","Acta Crystallographica Section E","2012","68","5","o1553","","10.1107/S1600536812016728","","","1.5418","CuKα","","0.03","0.0271","","","0.0671","0.0693","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234915","19.2845","0.0004","3.86753","0.00008","15.643","0.0003","90","","90","","90","","1166.71","0.04","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl 2-(thiophene-2-carboxamido)benzoate","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C52 H44 N4 O12 S4 -","4","1","BT5852","Singh, Durga Prasad; Pratap, Seema; Butcher, Ray J.; Gupta, Sushil K.","Methyl 2-(thiophene-2-carboxamido)benzoate","Acta Crystallographica Section E","2012","68","6","o1765","","10.1107/S160053681202082X","","","1.54184","CuKα","","0.0344","0.0332","","","0.088","0.0901","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235026","32.657","0.003","4.7861","0.0015","8.7596","0.0012","90","","90","","90","","1369.1","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Methyl-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","HB6769","Hu, Hua-Nan; Liu, Shi-Yong","(<i>E</i>)-4-Methyl-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1613","","10.1107/S1600536812019198","","","0.71073","MoKα","","0.064","0.0487","","","0.0965","0.1031","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235228","7.6307","0.0005","9.5168","0.0006","12.4097","0.0008","90","","90","","90","","901.19","0.1","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Azido-1-(4-nitrophenyl)ethanone","","- C8 H6 N4 O3 -","- C8 H6 N4 O3 -","- C32 H24 N16 O12 -","4","1","RZ2752","Yousuf, Sammer; Arshad, Muhammad; Butt, Hafiza Madiha; Saeed, Sumayya; Basha, Fatima Z.","2-Azido-1-(4-nitrophenyl)ethanone","Acta Crystallographica Section E","2012","68","6","o1952","","10.1107/S1600536812021241","","","0.71073","MoKα","","0.038","0.0318","","","0.0703","0.074","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235358","13.9945","0.0014","5.044","0.0004","27.286","0.002","90","","90","","90","","1926.1","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C72 H88 N24 O24 -","8","2","BQ2364","Tahir, M. Nawaz; Ali, Akbar; Umar, M. Naveed; Hussain, Ishtiaq; Shad, Hazoor Ahmad","(2<i>E</i>)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","7","o2071","","10.1107/S1600536812025299","","","0.71073","MoKα","","0.1381","0.0557","","","0.0902","0.1125","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235359","21.1252","0.0014","3.8763","0.0003","11.7009","0.0008","90","","90","","90","","958.16","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-(4-Chlorophenyl)-2-fluoropyridine","","- C11 H7 Cl F N -","- C11 H7 Cl F N -","- C44 H28 Cl4 F4 N4 -","4","1","BQ2365","Adeel, Muhammad; Elahi, Fazal; Tahir, M. Nawaz; Khan, Azim; Langer, Peter","5-(4-Chlorophenyl)-2-fluoropyridine","Acta Crystallographica Section E","2012","68","7","o2043","","10.1107/S1600536812025378","","","0.71073","MoKα","","0.0481","0.032","","","0.0673","0.0731","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235463","20.365","0.002","3.8303","0.0003","11.4835","0.0014","90","","90","","90","","895.76","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Fluoro-5-(4-fluorophenyl)pyridine","","- C11 H7 F2 N -","- C11 H7 F2 N -","- C44 H28 F8 N4 -","4","1","HB6833","Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz; Langer, Peter; Ahmad, Saeed","2-Fluoro-5-(4-fluorophenyl)pyridine","Acta Crystallographica Section E","2012","68","7","o2070","","10.1107/S1600536812025160","","","0.71073","MoKα","","0.0468","0.0299","","","0.0641","0.0724","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235531","24.433","0.005","4.7861","0.001","5.6385","0.0011","90","","90","","90","","659.4","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","lithium pyrazinate","Poly[μ~2~-aqua-μ~2~-(pyrazine-2-carboxylato)-lithium]","","- C5 H5 Li N2 O3 -","- C5 H5 Li N2 O3 -","- C20 H20 Li4 N8 O12 -","4","1","KP2421","Starosta, Wojciech; Leciejewicz, Janusz","Poly[μ~2~-aqua-μ~2~-(pyrazine-2-carboxylato)-lithium]","Acta Crystallographica Section E","2012","68","7","m933","m934","10.1107/S1600536812024683","","","0.71073","MoKα","","0.0763","0.0412","","","0.0916","0.1156","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235551","26.6927","0.0016","7.7775","0.0004","18.6689","0.0009","90","","90","","90","","3875.7","0.4","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","","- C36 H27 Cl8 Cu2 N4 O4 -","- C36 H27 Cl8 Cu2 N4 O4 -","- C144 H108 Cl32 Cu8 N16 O16 -","4","1","LH5494","Kia, Reza; Kargar, Hadi; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","Acta Crystallographica Section E","2012","68","7","m999","m1000","10.1107/S1600536812028462","","","0.71073","MoKα","","0.0633","0.0411","","","0.077","0.0851","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235610","27.41","0.0011","7.9055","0.0004","18.8291","0.0007","90","","90","","90","","4080.1","0.3","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrabromo- 2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","","- C36 H27 Br8 Cu2 N4 O4 -","- C36 H27 Br8 Cu2 N4 O4 -","- C144 H108 Br32 Cu8 N16 O16 -","4","1","RZ2776","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","Acta Crystallographica Section E","2012","68","7","m1018","m1019","10.1107/S1600536812029285","","","0.71073","MoKα","","0.0878","0.0422","","","0.0592","0.0677","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235783","19.9302","0.0004","7.6627","0.0001","14.3253","0.0003","90","","90","","90","","2187.75","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Bis(tetraethylammonium) oxalate dihydrate","","- C18 H44 N2 O6 -","- C18 H44 N2 O6 -","- C72 H176 N8 O24 -","4","1","FB2256","McNeese, Timothy J.; Pike, Robert D.","Bis(tetraethylammonium) oxalate dihydrate","Acta Crystallographica Section E","2012","68","8","o2382","o2383","10.1107/S160053681203022X","","","1.54178","CuKα","","0.0327","0.0311","","","0.08","0.0811","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235998","9.8117","0.0003","20.3445","0.0004","8.0486","0.0002","90","","90","","90","","1606.61","0.07","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,1,1-trichloro-2,2-bis(4-iodophenyl)ethane","","- C14 H9 Cl3 I2 -","- C14 H9 Cl3 I2 -","- C56 H36 Cl12 I8 -","4","1","SU2477","Smith, Graham","1,1,1-Trichloro-2,2-bis(4-iodophenyl)ethane","Acta Crystallographica Section E","2012","68","8","o2504","","10.1107/S1600536812032254","","","0.71073","MoKα","","0.0476","0.0441","","","0.1094","0.1122","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236071","17.4505","0.0015","3.7875","0.0003","15.1669","0.0013","90","","90","","90","","1002.44","0.15","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","10-(Hydroxyimino)phenanthren-9-one","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","BH2448","Patel, Dinesh G.; Benedict, Jason B.","Tautomerism in 10-(hydroxyimino)phenanthren-9-one","Acta Crystallographica Section E","2012","68","10","o2871","","10.1107/S160053681203749X","","","0.71073","MoKα","","0.0398","0.0361","","","0.0968","0.0994","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236186","8.8746","0.0005","13.3273","0.0007","9.8331","0.0006","90","","90","","90","","1163","0.11","180","1","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","10'-Chloro-3',4'-dihydro-2'<i>H</i>-spiro[cyclopropane- 1,7'(6'<i>H</i>)-pyrimido[2,1-<i>a</i>]isoquinolin]-6'-one","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C56 H52 Cl4 N8 O4 -","4","1","FF2085","Okuda, Kensuke; Hirota, Takashi; Nishina, Yuta; Ishida, Hiroyuki","10'-Chloro-3',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,7'(6'<i>H</i>)-pyrimido[2,1-<i>a</i>]isoquinolin]-6'-one","Acta Crystallographica Section E","2012","68","11","o3252","","10.1107/S1600536812044261","","","0.71075","MoKα","","0.0347","0.0305","","","0.0758","0.0787","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236237","14.0758","0.0009","5.8059","0.0004","8.6909","0.0005","90","","90","","90","","710.24","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1<i>H</i>-Indole-3-carbaldehyde","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","GO2070","Dileep, C. S.; Abdoh, M. M. M.; Chakravarthy, M. P.; Mohana, K. N.; Sridhar, M. A.","1<i>H</i>-Indole-3-carbaldehyde","Acta Crystallographica Section E","2012","68","11","o3135","","10.1107/S1600536812040573","","","0.71073","MoKα","","0.0333","0.0287","","","0.0659","0.0689","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236379","11.6817","0.0005","4.708","0.0002","25.2056","0.0015","90","","90","","90","","1386.24","0.12","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Dichloridobis(4-fluoroaniline-κ<i>N</i>)zinc","","- C12 H12 Cl2 F2 N2 Zn -","- C12 H12 Cl2 F2 N2 Zn -","- C48 H48 Cl8 F8 N8 Zn4 -","4","1","IS5178","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","Dichloridobis(4-fluoroaniline-κ<i>N</i>)zinc","Acta Crystallographica Section E","2012","68","9","m1152","","10.1107/S1600536812033922","","","0.71073","MoKα","","0.023","0.0203","","","0.0427","0.0433","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236452","17.2908","0.0008","6.9946","0.0003","27.1617","0.0011","90","","90","","90","","3285","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>N</i>'-[(<i>E</i>)-4-Hydroxybenzylidene]-2-(naphthalen-2-yloxy)acetohydrazide","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C152 H128 N16 O24 -","8","2","LH5528","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","<i>N</i>'-[(<i>E</i>)-4-Hydroxybenzylidene]-2-(naphthalen-2-yloxy)acetohydrazide","Acta Crystallographica Section E","2012","68","10","o2923","o2924","10.1107/S1600536812038408","","","0.71073","MoKα","","0.0797","0.0486","","","0.095","0.1118","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236515","14.963","0.003","8.5","0.002","20.385","0.004","90","","90","","90","","2592.7","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","chelidamic acid and 2,6-diaminopyridine","2,6-Diaminopyridinium 4-hydroxypyridin-1-ium-2,6-dicarboxylate","","- C12 H12 N4 O5 -","- C12 H12 N4 O5 -","- C96 H96 N32 O40 -","8","2","NG5291","Ton, Quoc-Cuong; Bolte, Michael","Intra- and intermolecular proton transfer in 2,6-diaminopyridinium 4-hydroxypyridin-1-ium-2,6-dicarboxylate","Acta Crystallographica Section E","2012","68","10","o2860","o2861","10.1107/S1600536812037580","","","0.71073","MoKα","","0.0431","0.0362","","","0.0802","0.0828","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236542","13.6348","0.0017","5.8768","0.0007","15.869","0.002","90","","90","","90","","1271.6","0.3","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[(<i>E</i>)-(Naphthalen-2-yl)iminomethyl]phenol","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","PV2571","Sharif, Hafiz Muhammad Adeel; Alvi, Dildar Ahmed; Yousuf, S.","2-[(<i>E</i>)-(Naphthalen-2-yl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","9","o2629","","10.1107/S1600536812033843","","","0.71073","MoKα","","0.0641","0.0376","","","0.078","0.089","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236624","8.5467","0.0013","8.4344","0.0012","8.9674","0.0013","90","","90","","90","","646.43","0.16","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Poly[(μ~3~-hydrogenphosphato)(4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^)zinc]","","- C2 H4 N3 O4 P Zn -","- C2 H4 N3 O4 P Zn -","- C8 H16 N12 O16 P4 Zn4 -","4","1","SJ5276","Aitenneite, Hafid; El Bouari, Abdeslam; Sebti, Said; Saadi, Mohamed; El Ammari, Lahcen; Adil, Karim","Poly[(μ~3~-hydrogenphosphato)(4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^)zinc]","Acta Crystallographica Section E","2012","68","11","m1426","m1427","10.1107/S1600536812044182","","","0.71073","MoKα","","0.0218","0.021","","","0.0508","0.0511","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236766","16.9456","0.0019","5.7029","0.0006","8.6333","0.0009","90","","90","","90","","834.31","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Methyl-1<i>H</i>-indole-3-carbaldehyde","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","ZL2498","Ismail, Sharifah Shafiqah; Khaledi, Hamid; Mohd Ali, Hapipah","5-Methyl-1<i>H</i>-indole-3-carbaldehyde","Acta Crystallographica Section E","2012","68","9","o2691","","10.1107/S1600536812034873","","","0.71073","MoKα","","0.0735","0.0378","","","0.0892","0.107","","","","","","0.979","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237037","16.2403","0.0005","7.1539","0.0003","15.2458","0.0005","90","","90","","90","","1771.28","0.11","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","ferron-quinoline hydrate salt","Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate","","- C18 H14.6 I N2 O4.8 S -","- C18 H14.6 I N2 O4.8 S -","- C72 H58.4 I4 N8 O19.2 S4 -","4","1","SU2523","Smith, Graham","Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate","Acta Crystallographica Section E","2012","68","12","o3349","","10.1107/S1600536812046247","","","0.71073","MoKα","","0.0494","0.0397","","","0.0771","0.0819","","","","","","1.177","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237203","19.174","0.0012","5.5026","0.0003","8.9956","0.0005","90","","90","","90","","949.1","0.09","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","NK2196","Scalzullo, Stefania M.; Khorasani, Sanaz; Michael, Joseph P.","1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone","Acta Crystallographica Section E","2013","69","1","o139","","10.1107/S1600536812051057","","","0.71073","MoKα","","0.0383","0.0318","","","0.082","0.085","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237263","18.0123","0.0015","7.0128","0.0006","15.4364","0.0013","90","","90","","90","","1949.9","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(3<i>E</i>,5<i>E</i>)-3,5-Bis(2-chlorobenzylidene)-1-propylpiperidin-4-one","","- C22 H21 Cl2 N O -","- C22 H21 Cl2 N O -","- C88 H84 Cl8 N4 O4 -","4","1","ZQ2188","Yang, Quanzhi; Chen, Lingzi; Weng, Bixia; Fan, Lei; Wu, Xiaoping","(3<i>E</i>,5<i>E</i>)-3,5-Bis(2-chlorobenzylidene)-1-propylpiperidin-4-one","Acta Crystallographica Section E","2013","69","1","o63","","10.1107/S1600536812049252","","","0.71073","MoKα","","0.0382","0.0346","","","0.0852","0.0882","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237356","14.1607","0.0006","15.3126","0.001","21.1196","0.0014","90","","90","","90","","4579.5","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","","- C25 H31 N O4 -","- C25 H31 N O4 -","- C200 H248 N8 O32 -","8","2","LH5574","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Chandam, D. R.; Deshmukh, Madhukar B.","9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2013","69","2","o297","o298","10.1107/S1600536813002250","","","0.71073","MoKα","","0.0962","0.0587","","","0.1087","0.1272","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237371","17.728","0.013","12.272","0.009","12.094","0.008","90","","90","","90","","2631","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3''-(2-Fluorobenzylidene)-4'-(2-fluorophenyl)-1'-methyldispiro[acenaphthylene- 1,2'-pyrrolidine-3',1''-cyclopentane]-2,2''-dione","","- C33 H25 F2 N O2 -","- C33 H25 F2 N O2 -","- C132 H100 F8 N4 O8 -","4","1","PK2458","Chen, Gao-Zhi; Wei, Xiao-Yan; Wang, Yi; Ren, Lu-Qing; Li, Xiao-Kun","3''-(2-Fluorobenzylidene)-4'-(2-fluorophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclopentane]-2,2''-dione","Acta Crystallographica Section E","2013","69","2","o249","o250","10.1107/S1600536812051550","","","0.71073","MoKα","","0.0642","0.0545","","","0.1205","0.1256","","","","","","1.019","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237403","19.326","0.003","10.7866","0.0017","6.9072","0.0011","90","","90","","90","","1439.9","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(2-Methylphenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a- carbonitrile","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","SU2544","Suresh, G.; Srinivasan, J.; Bakthadoss, M.; Aravindhan, S.","3-(2-Methylphenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2013","69","2","o181","","10.1107/S1600536812051732","","","0.71073","MoKα","","0.1047","0.0594","","","0.1295","0.1464","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237513","26.1151","0.001","4.9484","0.0002","11.3933","0.0004","90","","90","","90","","1472.33","0.1","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2,4-Dimethyl-<i>N</i>'-(2-methylbenzylidene)benzohydrazide","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","IS5246","Taha, Muhammad; Ismail, Nor Hadiani; Jaafar, Faridahanim Mohd; Khan, Khalid M.; Yousuf, Sammer","(<i>E</i>)-2,4-Dimethyl-<i>N</i>'-(2-methylbenzylidene)benzohydrazide","Acta Crystallographica Section E","2013","69","3","o400","","10.1107/S1600536813004388","","","0.71073","MoKα","","0.0314","0.03","","","0.0786","0.0798","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237521","19.7286","0.0011","11.5659","0.0014","17.8088","0.0018","90","","90","","90","","4063.6","0.7","291","2","291","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl){3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)carbonyl]-5-methylindolizin-1-yl}methanone","","- C21 H21 N5 O2 -","- C21 H21 N5 O2 -","- C168 H168 N40 O16 -","8","2","LH5581","Song, Xiang-Yun; Gu, Wei-Jin; Jiang, Yu-Liang; Wang, Bing-Xiang","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl){3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)carbonyl]-5-methylindolizin-1-yl}methanone","Acta Crystallographica Section E","2013","69","3","o450","","10.1107/S1600536813005060","","","0.71073","MoKα","","0.0561","0.0502","","","0.1281","0.1293","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237740","13.993","0.003","9.189","0.0018","28.778","0.006","90","","90","","90","","3700.3","1.3","90","0.2","90","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3,4',5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate","","- C14 H8 Cl6 O4 S -","- C14 H8 Cl6 O4 S -","- C112 H64 Cl48 O32 S8 -","8","2","YK2088","Lehmler, Hans-Joachim; He, Xianran; Duffel, Michael W.; Parkin, Sean","3,4',5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate","Acta Crystallographica Section E","2013","69","4","o620","","10.1107/S1600536813007976","","","1.54178","CuKα","","0.068","0.0643","","","0.158","0.1605","","","","","","1.152","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237775","16.8124","0.0012","10.9545","0.0008","10.9331","0.0007","90","","90","","90","","2013.6","0.2","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>N</i>,<i>N</i>'-Bis(4-hydroxyphenyl)pyridine-2,6-dicarboxamide dimethylformamide monosolvate","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C88 H88 N16 O20 -","4","1","BT6908","Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Hussain, Rizwan; Butt, M. Saeed","<i>N</i>,<i>N</i>'-Bis(4-hydroxyphenyl)pyridine-2,6-dicarboxamide dimethylformamide monosolvate","Acta Crystallographica Section E","2013","69","6","o991","","10.1107/S1600536813013810","","","0.71073","MoKα","","0.0373","0.0361","","","0.0979","0.0994","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237853","18.88","0.002","5.8979","0.001","20.916","0.002","90","","90","","90","","2329","0.5","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[manganese(III)-bis{μ-2-[(2-hydroxyethyl)iminomethyl]-6-methoxyphenolato-κ^3^<i>O</i>^1^,<i>N</i>:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^1^}] iodide]","","- C20 H24 I Mn N2 O6 -","- C20 H24 I Mn N2 O6 -","- C80 H96 I4 Mn4 N8 O24 -","4","1","HB7060","Petrusenko, Svitlana R.; Stetsyuk, Oleg M.; Omelchenko, Irina V.","<i>catena</i>-Poly[[manganese(III)-bis{μ-2-[(2-hydroxyethyl)iminomethyl]-6-methoxyphenolato-κ^3^<i>O</i>^1^,<i>N</i>:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^1^}] iodide]","Acta Crystallographica Section E","2013","69","6","m326","m327","10.1107/S1600536813012695","","","0.71073","MoKα","","0.1895","0.0756","","","0.1373","0.1731","","","","","","0.922","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237891","25.005","0.006","5.5023","0.0014","14.79","0.004","90","","90","","90","","2034.9","0.9","291","2","291","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Methylphenyl)-3-oxo-4-phenyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-6-carbonitrile","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C104 H88 N8 O4 -","4","1","IM2425","Wen, Lei; Hu, Yimin","2-(4-Methylphenyl)-3-oxo-4-phenyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-6-carbonitrile","Acta Crystallographica Section E","2013","69","5","o652","","10.1107/S1600536813008568","","","0.71073","MoKα","","0.1261","0.0519","","","0.0806","0.0952","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237990","17.425","0.003","4.5225","0.0008","8.6167","0.0016","90","","90","","90","","679","0.2","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","3,4-diaminobenzonitrile","3,4-Diaminobenzonitrile","","- C7 H7 N3 -","- C7 H7 N3 -","- C28 H28 N12 -","4","1","QK2056","Geiger, David K.; Parsons, Dylan E.","An orthorhombic polymorph of 3,4-diaminobenzonitrile","Acta Crystallographica Section E","2013","69","5","o658","","10.1107/S1600536813008489","","","0.71073","MoKα","","0.0334","0.0303","","","0.0785","0.0805","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238189","14.66","0.0003","5.4905","0.0002","9.7928","0.0003","90","","90","","90","","788.23","0.04","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[(diaquacadmium)-μ-iminodiacetato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']","","- C4 H9 Cd N O6 -","- C4 H9 Cd N O6 -","- C16 H36 Cd4 N4 O24 -","4","1","HY2628","Pan, Gang-Hong; Tang, Jin-Niu; Huang, Zhong-Jing; Liao, Yi-Fan; Mo, Bo-Fa","<i>catena</i>-Poly[(diaquacadmium)-μ-iminodiacetato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2013","69","7","m416","","10.1107/S1600536813017121","","","0.71073","MoKα","","0.0514","0.0468","","","0.1605","0.1643","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238204","20.0988","0.0016","4.2645","0.0003","28.669","0.002","90","","90","","90","","2457.3","0.3","150","1","150","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Nitro-1,3-bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one","","- C13 H9 N3 O3 -","- C13 H9 N3 O3 -","- C104 H72 N24 O24 -","8","2","KJ2228","Kandri Rodi, Youssef; Misbahi, Khalid; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Essassi, El Mokhtar; El Ammari, Lahcen","5-Nitro-1,3-bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1159","","10.1107/S1600536813016814","","","0.71073","MoKα","","0.0513","0.0468","","","0.1212","0.1262","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238259","15.965","0.005","5.807","0.005","30.185","0.005","90","","90","","90","","2798","3","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(3-Acetylphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","SU2604","Bougueria, Hassiba; Benosmane, Ali; Benaouida, Mohamed Amine; Bouchoul, Abd El Kader; Bouaoud, Salah Eddine","1-(3-Acetylphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","Acta Crystallographica Section E","2013","69","7","o1052","","10.1107/S1600536813014918","","","0.71073","MoKα","","0.0479","0.0432","","","0.1168","0.1203","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238319","18.4336","0.0014","9.4516","0.0007","11.7077","0.0009","90","","90","","90","","2039.8","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Dichloroacetyl-<i>t</i>-3-isopropyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C22 H23 Cl2 N O2 -","- C22 H23 Cl2 N O2 -","- C88 H92 Cl8 N4 O8 -","4","1","BT6918","Sugumar, P.; Kayalvizhi, R.; Mini, R.; Ponnuswamy, S.; Ponnuswamy, M. N.","1-Dichloroacetyl-<i>t</i>-3-isopropyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2013","69","8","o1348","","10.1107/S1600536813019582","","","0.71073","MoKα","","0.0551","0.0476","","","0.1294","0.1362","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238338","10.0768","0.0007","12.0387","0.0008","7.7047","0.0006","90","","90","","90","","934.67","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>Z</i>)-Ethyl 2-cyano-3-(1<i>H</i>-imidazol-2-yl)acrylate","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C36 H36 N12 O8 -","4","1","FJ2635","Kalkhambkar, Rajesh G.; Kumar, Mahesh; Gayathri, D.; Oh, Jeongsu; Jeong, Yeon Tae","(<i>Z</i>)-Ethyl 2-cyano-3-(1<i>H</i>-imidazol-2-yl)acrylate","Acta Crystallographica Section E","2013","69","8","o1223","","10.1107/S1600536813018278","","","0.71073","MoKα","","0.059","0.0486","","","0.1302","0.145","","","","","","0.827","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238373","20.0318","0.0004","10.2866","0.0002","9.5351","0.0002","90","","90","","90","","1964.79","0.07","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","2,2-Diphenyl-<i>N</i>-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide","","- C22 H17 F3 N2 O S -","- C22 H17 F3 N2 O S -","- C88 H68 F12 N8 O4 S4 -","4","1","IS5283","Yusof, Mohd Sukeri Mohd; Razali, Nur Rafikah; Arshad, Suhana; Rahman, Azhar Abdul; Razak, Ibrahim Abdul","2,2-Diphenyl-<i>N</i>-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide","Acta Crystallographica Section E","2013","69","8","o1255","o1256","10.1107/S1600536813018680","","","0.71073","MoKα","","0.0597","0.0436","","","0.0739","0.0811","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238459","17.7791","0.0003","11.1766","0.0002","6.91805","0.00012","90","","90","","90","","1374.68","0.04","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","(Dimethylphosphoryl)methanaminium iodide‒(dimethylphosphoryl)methanamine (1/1)","","- C6 H21 I N2 O2 P2 -","- C6 H21 I N2 O2 P2 -","- C24 H84 I4 N8 O8 P8 -","4","1","ZL2559","Reiss, Guido J.","(Dimethylphosphoryl)methanaminium iodide‒(dimethylphosphoryl)methanamine (1/1)","Acta Crystallographica Section E","2013","69","8","o1253","o1254","10.1107/S1600536813019004","","","0.71073","MoKα","","0.0176","0.0163","","","0.0321","0.0325","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238591","11.732","0.002","8.6513","0.0017","9.879","0.002","90","","90","","90","","1002.7","0.3","153","2","153","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>tert</i>-Butyl <i>N</i>-(thiophen-2-yl)carbamate","","- C9 H13 N O2 S -","- C9 H13 N O2 S -","- C36 H52 N4 O8 S4 -","4","1","ZS2273","Hsu, Gene C.; Singer, Laci M.; Cordes, David B.; Findlater, Michael","<i>tert</i>-Butyl <i>N</i>-(thiophen-2-yl)carbamate","Acta Crystallographica Section E","2013","69","9","o1413","","10.1107/S160053681302196X","","","0.71073","MoKα","","0.0447","0.034","","","0.0731","0.0777","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238801","9.0532","0.0008","16.8067","0.0015","19.2508","0.0018","90","","90","","90","","2929.1","0.5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","4-Ethynyl-<i>N</i>,<i>N</i>-diphenylaniline","","- C20 H15 N -","- C20 H15 N -","- C160 H120 N8 -","8","2","SU2660","Wang, Wan-Qiang","4-Ethynyl-<i>N</i>,<i>N</i>-diphenylaniline","Acta Crystallographica Section E","2013","69","11","o1722","","10.1107/S1600536813029036","","","0.71073","MoKα","","0.0464","0.0444","","","0.118","0.1209","","","","","","1.016","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238997","19.9622","0.0016","8.0484","0.0006","22.8969","0.0018","90","","90","","90","","3678.7","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-[2-(4-Fluorophenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione","","- C23 H17 F N2 O3 -","- C23 H17 F N2 O3 -","- C184 H136 F8 N16 O24 -","8","2","FJ2658","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.","3-[2-(4-Fluorophenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione","Acta Crystallographica Section E","2014","70","2","o226","o227","10.1107/S1600536814001743","","","0.71073","MoKα","","0.0603","0.0409","","","0.0764","0.0839","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239016","13.0049","0.0003","7.5262","0.0002","13.3616","0.0003","90","","90","","90","","1307.8","0.05","290","1","290","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Potassium niobium tris(disulfide) tantalum thiophosphate","<i>catena</i>-Poly[potassium [tri-μ-disulfido-μ-tetrathiophosphato-di[niobate(IV)/tantalate(IV)(0.885/0.115)]]]","","- K Nb1.77 P S10 Ta0.23 -","- K Nb1.7718 P S10 Ta0.2282 -","- K4 Nb7.0872 P4 S40 Ta0.9128 -","4","1","","Lee, Yoonjeong; Yoon, Woojin; Yun, Hoseop","The mixed-metal tris(disulfide) thiophosphate, KNb~1.77~Ta~0.23~PS~10~","Acta Crystallographica Section E","2014","70","2","i8","","10.1107/S1600536814000592","","","0.71073","MoKα","","0.021","0.0193","","","","0.0403","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239038","7.0051","0.0003","8.6342","0.0002","12.7131","0.0003","90","","90","","90","","768.93","0.04","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cytosinium hydrogen selenite","6-Amino-2-methylidene-2,3-dihydropyrimidin-1-ium hydrogen selenite","","- C4 H7 N3 O4 Se -","- C4 H7 N3 O4 Se -","- C16 H28 N12 O16 Se4 -","4","1","","Takouachet, Radhwane; Benali-Cherif, Rim; Benali-Cherif, Nourredine","Cytosinium hydrogen selenite","Acta Crystallographica Section E","2014","70","2","o186","o187","10.1107/S1600536814001275","","","0.71073","MoKα","","0.0513","0.0416","","","0.0929","0.0977","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239147","31.0359","0.0012","5.2549","0.0003","7.873","0.0004","90","","90","","90","","1284.01","0.11","102","2","102","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Chloro-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]benzohydrazide","","- C15 H10 Cl N3 O2 -","- C15 H10 Cl N3 O2 -","- C60 H40 Cl4 N12 O8 -","4","1","SU2672","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Jaber, Abdel-Aal M.; Albayati, Mustafa R.","4-Chloro-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]benzohydrazide","Acta Crystallographica Section E","2014","70","1","o47","","10.1107/S1600536813033345","","","1.54178","CuKα","","0.0694","0.0589","","","0.1422","0.1519","","","","","","1.162","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239240","8.3976","0.0006","13.7584","0.0009","21.7971","0.0012","90","","90","","90","","2518.4","0.3","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","","- C28 H22 N2 O8 S -","- C28 H22 N2 O8 S -","- C112 H88 N8 O32 S4 -","4","1","RK2423","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","4","o424","o425","10.1107/S1600536814005133","","","0.71073","MoKα","","0.0666","0.0427","","","0.1018","0.1146","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239254","19.144","0.0013","8.9363","0.0006","9.1111","0.0003","90","","90","","90","","1558.7","0.16","295","","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","3-Diphenylaminoisobenzofuran-1(3H)-one","3-(Diphenylamino)isobenzofuran-1(3<i>H</i>)-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","TK5299","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Ellena, Javier; Tenorio, Juan C.","3-(Diphenylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2014","70","4","o490","","10.1107/S1600536814006266","","","0.71073","MoKα","","0.0539","0.0409","","","0.0981","0.1061","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239411","8.4543","0.0003","13.6605","0.0005","21.6359","0.0009","90","","90","","90","","2498.73","0.16","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C28 H24 N2 O7 S -","- C28 H24 N2 O7 S -","- C112 H96 N8 O28 S4 -","4","1","LD2120","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2014","70","3","o336","o337","10.1107/S1600536814003535","","","0.71073","MoKα","","0.0497","0.034","","","0.077","0.0849","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239421","16.494","0.003","13.082","0.003","6.6008","0.0012","90","","90","","90","","1424.3","0.5","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Santal monohydrate","3-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4<i>H</i>-chromen-4-one monohydrate","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","CV5443","Knight, Kyle S.; Smith, Cole T.; Waddell, Thomas G.; Noll, Bruce","Santal monohydrate, an isoflavone isolated from <i>Wyethia mollis</i>","Acta Crystallographica Section E","2014","70","3","o267","","10.1107/S1600536814002670","","","0.71073","MoKα","","0.0567","0.0394","","","0.098","0.1097","","","","","","0.852","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239627","15.764","0.005","5.136","0.005","11.028","0.005","90","","90","","90","","892.9","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","1","","Sun, Xian-Shun; Shao, Nan-Qi; Li, Dan-Dan","5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde","Acta Crystallographica Section E","2014","70","6","o724","","10.1107/S1600536814012021","","","0.71069","MoKα","","0.0249","0.0237","","","0.0659","0.0669","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239759","11.0153","0.0008","9.8596","0.0007","9.5476","0.0006","90","","90","","90","","1036.93","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Fluoro-<i>N</i>-(4-hydroxybenzylidene)aniline","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","SJ5413","Jothi, L.; Anuradha, G.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.","4-Fluoro-<i>N</i>-(4-hydroxybenzylidene)aniline","Acta Crystallographica Section E","2014","70","8","o860","","10.1107/S1600536814015153","","","0.71073","MoKα","","0.0367","0.0286","","","0.0707","0.0779","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239766","12.353","0.003","4.5092","0.0009","19.778","0.004","90","","90","","90","","1101.7","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Bromo-2-[(phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","NK2224","Yan, Xu-Xiu; Lu, Li-Ping; Zhu, Miao-Li","4-Bromo-2-[(phenylimino)methyl]phenol","Acta Crystallographica Section E","2014","70","8","o853","","10.1107/S1600536814015268","","","0.71073","MoKα","","0.0487","0.0386","","","0.0742","0.0779","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239786","7.1347","0.0002","17.2819","0.0007","7.3289","0.0003","90","","90","","90","","903.66","0.06","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Potassium trifluorido(4-methoxyphenyl)borate","","- C7 H7 B F3 K O -","- C7 H7 B F3 K O -","- C28 H28 B4 F12 K4 O4 -","4","1","WM0001","Harrison, William T. A.; Wardell, James L.","Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium trifluorido(4-fluorophenyl)borate","Acta Crystallographica Section E","2014","70","8","68","71","10.1107/S1600536814009684","","","0.71075","MoKα","","0.0213","0.0212","","","0.0589","0.059","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240032","8.7135","0.0001","10.5321","0.0001","14.3907","0.0002","90","","90","","90","","1320.66","0.03","291","","291","","","","","","","","","4","P c a 21","P 2c -2ac","29","Pyr-beta-3,3-Ac6c-OH","2-[1-(Pyrazine-2-amido)cyclohexyl]acetic acid","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","","Ahmad Wani, Naiem; Gupta, Vivek K.; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","Conformation and crystal structures of 1-aminocyclohexaneacetic acid (β^3,3^Ac~6~c) in N-protected derivatives","Acta Crystallographica Section E","2014","70","11","272","277","10.1107/S1600536814020777","","","0.71073","MoKα","","0.0462","0.0418","","","0.1019","0.1056","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240058","9.9238","0.0013","7.3322","0.001","23.028","0.003","90","","90","","90","","1675.6","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 3-phenyl-1,3,4,5-tetrahydro-2-benzoxepine-4-carboxylate","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","SU2789","Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate and methyl 1-methyl-3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate","Acta Crystallographica Section E","2014","70","11","316","318","10.1107/S1600536814021655","","","0.71073","MoKα","","0.0562","0.0361","","","0.0787","0.0888","","","","","","1.044","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240162","18.977","0.003","3.7811","0.0004","15.5047","0.0018","90","","90","","90","","1112.5","0.2","200","","200","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Bromo-1,4-dihydroxy-9,10-anthraquinone","","- C14 H7 Br O4 -","- C14 H7 Br O4 -","- C56 H28 Br4 O16 -","4","1","HB7282","Furukawa, Wataru; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi","Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone","Acta Crystallographica Section E","2014","70","10","o1130","","10.1107/S1600536814020996","","","0.71073","MoKα","","0.0659","0.0574","","","0.095","0.0985","","","","","","1.11","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240202","10.9603","0.0004","7.9667","0.0007","26.7735","0.0018","90","","90","","90","","2337.8","0.3","180","","180","","","","","","","","","4","P c a 21","P 2c -2ac","29","calcium perchlorate hexahydrate","Calcium perchlorate hexahydrate","","- Ca Cl2 H12 O14 -","- Ca Cl2 H12 O14 -","- Ca8 Cl16 H96 O112 -","8","2","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Ca(ClO~4~)~2~·4H~2~O and Ca(ClO~4~)~2~·6H~2~O","Acta Crystallographica Section E","2014","70","12","489","493","10.1107/S1600536814024532","","","0.71073","MoKα","","0.0471","0.042","","","0.1073","0.1127","","","","","","1.085","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240269","17.8579","0.0009","8.1257","0.0004","9.8317","0.0005","90","","90","","90","","1426.66","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-Methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Zukerman-Schpector, Julio; Olivato, Paulo R.; Traesel, Henrique J.; Valença, Jéssica; Rodrigues, Daniel N. S.; Tiekink, Edward R. T.","Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one","Acta Crystallographica Section E","2015","71","1","o3","o4","10.1107/S205698901402550X","","","0.71073","MoKα","","0.0685","0.0418","","","0.0779","0.09","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240270","13.092","0.0017","19.198","0.003","15.827","0.002","90","","90","","90","","3978","1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5,5-Bis(4-methylbenzyl)pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione monohydrate","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C160 H176 N16 O32 -","8","2","CV5478","Ravi Kiran, Bhaskarachar; Suchetan, Parameshwar Adimule; Amar, Hosamani; Vijayakumar, Giriyapura R.","Crystal structure of 5,5-bis(4-methylbenzyl)pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione monohydrate","Acta Crystallographica Section E","2015","71","1","19","21","10.1107/S205698901402619X","","","0.71073","MoKα","","0.1054","0.0491","","","0.1164","0.1346","","","","","","0.98","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240467","16.4163","0.0015","15.8838","0.0015","13.5669","0.0013","90","","90","","90","","3537.6","0.6","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1-Methoxypyrene","","- C17 H12 O -","- C17 H12 O -","- C204 H144 O12 -","12","3","SU5089","Morales-Espinoza, Eric G.; Rivera, Ernesto; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","Crystal structure of 1-methoxypyrene","Acta Crystallographica Section E","2015","71","3","o210","o211","10.1107/S2056989015003783","","","0.71073","MoKα","","0.0914","0.0584","","","0.1467","0.1703","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240633","27.1156","0.0009","7.1401","0.0003","13.0804","0.0005","90","","90","","90","","2532.47","0.17","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Chloro-3-(dimethoxymethyl)-6-methoxyquinoline","","- C13 H14 Cl N O3 -","- C13 H14 Cl N O3 -","- C104 H112 Cl8 N8 O24 -","8","2","HG5440","Chandrika, Nanjappa; Suresha Kumara, Tholappanavara H.; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structure of 2-chloro-3-(dimethoxymethyl)-6-methoxyquinoline","Acta Crystallographica Section E","2015","71","5","o364","o365","10.1107/S205698901500804X","","","0.71073","MoKα","","0.0489","0.0399","","","0.0919","0.0973","","","","","","1.077","","","","has coordinates,has Fobs","136424","2020-10-21","18:00:00",""
"2240642","32.5385","0.0009","6.10513","0.00015","15.8615","0.0003","90","","90","","90","","3150.92","0.13","150.01","0.1","150","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","(<i>E</i>)-1-(4-<i>tert</i>-Butylphenyl)-2-(4-iodophenyl)ethene","","- C18 H19 I -","- C18 H19 I -","- C144 H152 I8 -","8","2","","Chen, Zhiwei; Moxey, Graeme J.","Crystal structure of (<i>E</i>)-1-(4-<i>tert</i>-butylphenyl)-2-(4-iodophenyl)ethene","Acta Crystallographica Section E","2015","71","5","o309","o310","10.1107/S2056989015007185","","","1.54184","CuKα","","0.0526","0.0495","","","0.1298","0.1326","","","","","","1.037","","","","has coordinates,has Fobs","136432","2020-10-21","18:00:00",""
"2240705","26.252","0.008","4.367","0.0014","12.523","0.004","90","","90","","90","","1435.7","0.8","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4,6-Diamino-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile","","- C6 H6 N4 S -","- C6 H6 N4 S -","- C48 H48 N32 S8 -","8","2","HG5399","Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Crystal structure of 4,6-diamino-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","9","o993","o994","10.1107/S1600536814018029","","","0.71073","MoKα","","0.1086","0.0641","","","0.1024","0.1167","","","","","","0.866","","","","has coordinates,has Fobs","136861","2020-10-21","18:00:00",""
"2240879","19.003","0.007","7.924","0.003","13.056","0.005","90","","90","","90","","1966","1.3","194","2","194","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1,2-Bis(2,6-dimethylphenyl)-3-phenylguanidine","","- C23 H25 N3 -","- C23 H25 N3 -","- C92 H100 N12 -","4","1","PK2556","Han, Hongfei; Guo, Zhiqiang; Wei, Xuehong","Crystal structure of 1,2-bis(2,6-dimethylphenyl)-3-phenylguanidine","Acta Crystallographica Section E","2015","71","7","o506","o507","10.1107/S2056989015011822","","","0.71073","MoKα","","0.0648","0.0409","","","0.0929","0.1044","","","","","","1.015","","","","has coordinates,has Fobs","139738","2020-10-21","18:00:00",""
"2240908","23.091","0.007","3.7704","0.0018","10.729","0.005","90","","90","","90","","934.1","0.7","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","7,8-Dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 Cl2 O3 -","- C10 H4 Cl2 O3 -","- C40 H16 Cl8 O12 -","4","1","","Ishikawa, Yoshinobu","Crystal structure of 7,8-dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2015","71","8","902","905","10.1107/S205698901501275X","","","0.71069","MoKα","","","0.0249","","","","0.0565","","","","","","1.05","","","","has coordinates,has Fobs","140992","2020-10-21","18:00:00",""
"2241010","18.769","0.003","7.643","0.001","10.0578","0.0016","90","","90","","90","","1442.8","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Methoxy-2-[(4-methoxyphenyl)sulfanyl]-1-phenylethanone","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Caracelli, Ignez; Olivato, Paulo R.; Traesel, Henrique J.; Valença, Jéssica; Rodrigues, Daniel N. S.; Tiekink, Edward R. T.","Crystal structure of 2-methoxy-2-[(4-methoxyphenyl)sulfanyl]-1-phenylethanone","Acta Crystallographica Section E","2015","71","9","o657","o658","10.1107/S2056989015014565","","","0.71073","MoKα","","0.0426","0.0314","","","0.0701","0.0759","","","","","","1.035","","","","has coordinates,has Fobs","153457","2020-10-21","18:00:00",""
"2241025","23.1735","0.0009","7.248","0.0002","20.332","0.0008","90","","90","","90","","3415","0.2","100","","100","","","","","","","","","3","P c a 21","P 2c -2ac","29","","[1,1':3',1''-Terphenyl]-2',3,3''-tricarboxylic acid","","- C21 H14 O6 -","- C21 H14 O6 -","- C168 H112 O48 -","8","2","LD2133","Decato, Daniel A.; Berryman, Orion B.","Crystal structure of [1,1':3',1''-terphenyl]-2',3,3''-tricarboxylic acid","Acta Crystallographica Section E","2015","71","9","o667","o668","10.1107/S2056989015015029","","","0.71073","MoKα","","0.0427","0.0366","","","0.0869","0.0911","","","","","","1.049","","","","has coordinates,has Fobs","153587","2020-10-21","18:00:00",""
"2241079","14.053","0.008","13.438","0.006","9.733","0.004","90","","90","","90","","1838","1.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-Chloro-1,3-bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C17 H19 Cl N4 O5 -","- C17 H19 Cl N4 O5 -","- C68 H76 Cl4 N16 O20 -","4","1","XU5863","Bouayad, Kaoutar; Kandri Rodi, Youssef; Ouzidan, Youness; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 5-chloro-1,3-bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2015","71","10","o735","o736","10.1107/S2056989015016102","","","0.71073","MoKα","","0.154","0.0574","","","0.1121","0.1501","","","","","","1.013","","","","has coordinates,has Fobs","158333","2020-10-21","18:00:00",""
"2241179","23.933","0.005","6.3317","0.0012","8.0269","0.0014","90","","90","","90","","1216.4","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(4-Hydroxypiperidin-1-yl)(4-methylphenyl)methanone","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.","Crystal structure of (4-hydroxypiperidin-1-yl)(4-methylphenyl)methanone","Acta Crystallographica Section E","2015","71","11","o817","o818","10.1107/S2056989015018307","","","0.71073","MoKα","","0.0997","0.0656","","","0.1859","0.2079","","","","","","1.042","","","","has coordinates,has Fobs","159561","2020-10-21","18:00:00",""
"2241264","24.312","0.004","6.1628","0.001","7.9654","0.0011","90","","90","","90","","1193.5","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(4-Chlorophenyl)(4-hydroxypiperidin-1-yl)methanone‒(4-chlorophenyl)(piperidin-1-yl)methanone (0.75/0.25)","","- C12 H14 Cl N O1.75 -","- C12 H14 Cl N O1.75 -","- C48 H56 Cl4 N4 O7 -","4","1","","Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.","Crystal structure of the adduct (4-chlorophenyl)(4-hydroxypiperidin-1-yl)methanone‒(4-chlorophenyl)(piperidin-1-yl)methanone (0.75/0.25)","Acta Crystallographica Section E","2015","71","11","o896","o897","10.1107/S2056989015020265","","","0.71073","MoKα","","0.0856","0.0476","","","0.1188","0.1442","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","169987","2020-10-21","18:00:00",""
"2241382","23.5604","0.0004","7.0367","0.0003","9.5792","0.0004","90","","90","","90","","1588.11","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')triiodidomethyltin(IV)","","- C11 H11 I3 N2 Sn -","- C11 H11 I3 N2 Sn -","- C44 H44 I12 N8 Sn4 -","4","1","","Reuter, Hans; Reichelt, Martin","Crystal structure of the coordination compound of triiodidomethyltin(IV) with 2,2'-bipyridine, MeSnI~3~·bipy","Acta Crystallographica Section E","2016","72","1","17","20","10.1107/S2056989015022975","","","0.71073","MoKα","","0.016","0.0157","","","0.0373","0.0374","","","","","","1.207","","","","has coordinates,has Fobs","176646","2020-10-21","18:00:00",""
"2241585","11.6193","0.0008","7.68","0.0005","11.3584","0.0008","90","","90","","90","","1013.58","0.12","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-[(<i>E</i>)-2-Phenylethenyl]phenol","","- C14 H12 O -","- C14 H12 O -","- C56 H48 O4 -","4","1","SU5278","Harrison, William T. A.; Plater, M. John; Yin, Lee J.","Investigations of new potential photo-acid generators: crystal structures of 2-[(<i>E</i>)-2-phenylethenyl]phenol (orthorhombic polymorph) and (2<i>E</i>)-3-(2-bromophenyl)-2-phenylprop-2-enoic acid","Acta Crystallographica Section E","2016","72","3","407","411","10.1107/S2056989016002942","","","0.71073","MoKα","","0.0362","0.0341","","","0.0901","0.0913","","","","","","1.058","","","","has coordinates,has disorder","176881","2020-10-21","18:00:00",""
"2241652","9.2049","0.0005","25.4468","0.0017","8.2451","0.0006","90","","90","","90","","1931.3","0.2","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(1<i>R</i>*,2<i>R</i>*)-7-Methoxy-2-methyl-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","SU5285","Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard","Novel GluN2B selective NMDA receptor antagonists: relative configuration of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ols","Acta Crystallographica Section E","2016","72","5","687","691","10.1107/S2056989016005843","","","1.54178","CuKα","","0.1254","0.0873","","","0.196","0.2314","","","","","","1.254","","","","has coordinates","182293","2020-10-21","18:00:00",""
"2241821","23.84","0.005","9.7401","0.0019","7.1403","0.0014","90","","90","","90","","1658","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate","","- C18 H15 N3 O4 S -","- C18 H15 N3 O4 S -","- C72 H60 N12 O16 S4 -","4","1","HB7607","Sukhonosova, Elena V.; Sokov, Sergey A.; Ostapenko, Gennady I.; Bunev, Alexander S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate and ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate","Acta Crystallographica Section E","2016","72","9","1321","1325","10.1107/S2056989016013104","","","0.9699","synchrotron","","0.0446","0.0372","","","0.0855","0.0901","","","","","","1.05","","","","has coordinates,has Fobs","185906","2020-10-21","18:00:00",""
"2241865","12.623","0.003","8.2675","0.0018","18.421","0.005","90","","90","","90","","1922.4","0.8","100.02","","100.02","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate","","- C9 H31 Cl O3 Sn3 -","- C9 H31 Cl O3 Sn3 -","- C36 H124 Cl4 O12 Sn12 -","4","1","","Otte, Felix; Koller, Stephan G.; Golz, Christopher; Strohmann, Carsten","Crystal structures of diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV) and di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate","Acta Crystallographica Section E","2016","72","10","1499","1502","10.1107/S2056989016014912","","","0.71073","MoKα","","0.024","0.0217","","","0.0491","0.0501","","","","","","1.061","","","","has coordinates,has Fobs","186858","2020-10-21","18:00:00",""
"2241956","8.3367","0.0004","10.7752","0.0005","24.1016","0.0012","90","","90","","90","","2165.04","0.18","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>Z</i>)-[(Dimethylcarbamoyl)(methylsulfanyl)methylidene]amino <i>N</i>-methylcarbamate","","- C7 H13 N3 O3 S -","- C7 H13 N3 O3 S -","- C56 H104 N24 O24 S8 -","8","2","","Kwon, Eunjin; Park, Ki-Min; Park, Hyunjin; Kim, Tae Ho","Crystal structure of oxamyl","Acta Crystallographica Section E","2016","72","12","1816","1818","10.1107/S2056989016018168","","","0.71073","MoKα","","0.043","0.0369","","","0.0862","0.0898","","","","","","1.035","","","","has coordinates,has Fobs","188577","2020-10-21","18:00:00",""
"2242041","22.8887","0.0014","13.883","0.0008","21.1396","0.0012","90","","90","","90","","6717.4","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[di(bromido/chlorido)mercury(II)]-μ-2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C34 H42 Br1.52 Cl0.48 Hg N4 -","- C34 H42 Br1.515 Cl0.485 Hg N4 -","- C272 H336 Br12.12 Cl3.88 Hg8 N32 -","8","2","ZL2695","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzo[<i>d</i>]imidazole)","Acta Crystallographica Section E","2017","73","3","423","428","10.1107/S2056989017002183","","","1.54184","CuKα","","0.0315","0.0294","","","0.0665","0.0691","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","192756","2020-10-21","18:00:00",""
"2242091","17.522","0.003","8.9559","0.0018","8.986","0.0013","90","","90","","90","","1410.1","0.4","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Poly[μ-nitrato-[μ-<i>N</i>-(pyridin-2-ylmethyl-κ<i>N</i>)pyrazine-2-\ carboxamide-κ<i>N</i>^4^]silver(I)]","","- C11 H10 Ag N5 O4 -","- C11 H10 Ag N5 O4 -","- C44 H40 Ag4 N20 O16 -","4","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The silver(I) nitrate complex of the ligand <i>N</i>-(pyridin-2-ylmethyl)pyrazine-2-carboxamide: a metal‒organic framework (MOF) structure","Acta Crystallographica Section E","2017","73","4","535","538","10.1107/S2056989017003930","","","0.71073","MoKα","","0.0523","0.0465","","","0.1195","0.1277","","","","","","1.1","","","","has coordinates,has Fobs","194412","2020-10-21","18:00:00",""
"2242468","17.964","0.003","8.0234","0.0015","9.7761","0.0019","90","","90","","90","","1409.1","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one","","- C15 H13 Cl O2 S -","- C15 H13 Cl O2 S -","- C60 H52 Cl4 O8 S4 -","4","1","HB7746","Caracelli, Ignez; Zukerman-Schpector, Julio; Traesel, Henrique J.; Olivato, Paulo R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","5","703","708","10.1107/S2056989018006072","","","0.71073","MoKα","","0.0722","0.0481","","","0.1058","0.1164","","","","","","1.04","","","","has coordinates,has Fobs","207560","2020-10-21","18:00:00",""
"2242503","16.5181","0.0008","5.5262","0.0003","33.2605","0.0016","90","","90","","90","","3036.1","0.3","173","2","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","meldonium sodium bromide heptahydrate","Poly[[tetra-μ-aqua-diaquabis[3-(1,1,1-trimethylhydrazin-1-ium-2-yl)\ propanoate]disodium] dibromide tetrahydrate]","","- C6 H24 Br N2 Na O7 -","- C6 H24 Br N2 Na O7 -","- C48 H192 Br8 N16 Na8 O56 -","8","2","ZL2729","Nazarenko, Alexander Y.","Crystal structures of binary compounds of meldonium 3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate with sodium bromide and sodium iodide","Acta Crystallographica Section E","2018","74","6","829","834","10.1107/S2056989018006977","","","0.71073","MoKα","","0.0416","0.0315","","","0.0729","0.0783","","","","","","1.025","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2242630","8.0419","0.0002","13.5008","0.0004","8.1307","0.0002","90","","90","","90","","882.77","0.04","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Poly[(benzene-1,2-diamine)(μ~5~-phosphonato)zinc]","","- C6 H9 N2 O3 P Zn -","- C6 H9 N2 O3 P Zn -","- C24 H36 N8 O12 P4 Zn4 -","4","1","CQ2027","Holmes, William; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks","Acta Crystallographica Section E","2018","74","10","1411","1416","10.1107/S2056989018012343","","","0.71073","MoKα","","0.0229","0.0218","","","0.0509","0.0513","","","","","","1.035","","","","has coordinates,has Fobs","210871","2020-10-21","18:00:00",""
"2242722","57.356","0.009","7.0172","0.001","9.3429","0.0013","90","","90","","90","","3760.3","1","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Pyromellitic acid dianhydride‒fluoranthene (1/1)","Pyromellitic acid dianhydride‒fluoranthene (1/1)","","- C26 H12 O6 -","- C26 H12 O6 -","- C208 H96 O48 -","8","2","","Hill, Tania N.; Lemmerer, Andreas","Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds","Acta Crystallographica Section E","2018","74","12","1772","1777","10.1107/S2056989018015645","","x-ray","0.71073","MoKα","","0.0668","0.0453","","","0.099","0.1062","","","","","","1.078","","","","has coordinates,has Fobs","211889","2020-10-21","18:00:00",""
"2242804","14.2762","0.0009","15.9821","0.001","7.3753","0.0005","90","","90","","90","","1682.78","0.19","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-[(1,3-Benzodioxol-5-yl)methyl]-4-(2,6-difluorobenzoyl)piperazine","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C76 H72 F8 N8 O12 -","4","1","ZL2747","Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions","Acta Crystallographica Section E","2019","75","2","202","207","10.1107/S2056989019000458","","","0.71073","MoKα","","0.056","0.0535","","","0.1526","0.155","","","","","","1.161","","","","has coordinates,has Fobs","213103","2020-10-21","18:00:00",""
"2242809","14.7269","0.0005","6.7024","0.0003","11.7607","0.0004","90","","90","","90","","1160.85","0.08","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","1'-Aminocobaltocenium-1-carboxylic acid chloride monohydrate","","- C11 H13 Cl Co N O3 -","- C11 H13 Cl Co N O3 -","- C44 H52 Cl4 Co4 N4 O12 -","4","1","WM5478","Jochriem, Markus; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Crystal structures of 1'-aminocobaltocenium-1-carboxylic acid chloride monohydrate and of its azo dye 1'-[2-(1-amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate","Acta Crystallographica Section E","2019","75","2","208","213","10.1107/S2056989019000562","","","0.71073","MoKα","","0.0206","0.0195","","","0.0455","0.0459","","","","","","1.077","","","","has coordinates,has Fobs","213107","2020-10-21","18:00:00",""
"2242940","18.0683","0.0013","8.019","0.0006","9.8513","0.0005","90","","90","","90","","1427.35","0.16","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one","","- C15 H13 Br O2 S -","- C15 H13 Br O2 S -","- C60 H52 Br4 O8 S4 -","4","1","HB7825","Caracelli, Ignez; Zukerman-Schpector, Julio; Traesel, Henrique J.; Olivato, Paulo R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2019","75","6","816","822","10.1107/S2056989019006765","","","0.71073","MoKα","","0.0728","0.0354","","","0.0732","0.0863","","","","","","0.902","","","","has coordinates,has Fobs","215247","2020-10-21","18:00:00",""
"2242945","30.031","0.006","5.6147","0.0012","23.494","0.005","90","","90","","90","","3961.4","1.4","100","","100","","","","","","","","","2","P c a 21","P 2c -2ac","29","1,3-diphenyl-6-mesitylfulvene","{3-[(2,4,6-Trimethylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene","","- C27 H24 -","- C27 H24 -","- C216 H192 -","8","2","HB7824","Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes","Acta Crystallographica Section E","2019","75","6","838","842","10.1107/S205698901900700X","","","0.71073","MoKα","","0.0567","0.043","","","0.0984","0.1083","","","","","","1.035","","","","has coordinates,has Fobs","215394","2020-10-21","18:00:00",""
"2243032","17.478","0.003","10.4125","0.0019","9.7129","0.0017","90","","90","","90","","1767.6","0.5","298","2","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-(4-Nitrophenyl)-7-phenyl-5-thia-7-azaspiro[2.6]nonan-8-one","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","","Yennawar, Hemant P.; Peterson, Samuel D.; Silverberg, Lee J.","Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones","Acta Crystallographica Section E","2019","75","8","1270","1273","10.1107/S2056989019010429","","","0.71073","MoKα","","0.1209","0.0811","","","0.2162","0.2489","","","","","","1.013","","","","has coordinates,has Fobs","217320","2020-10-21","18:00:00",""
"2243088","17.5093","0.0007","7.8052","0.0003","30.3155","0.0013","90","","90","","90","","4143","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Methacrylamido-<i>N</i>,<i>N</i>,<i>N</i>-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate","","- C17 H33 N3 O5 S -","- C17 H33 N3 O5 S -","- C136 H264 N24 O40 S8 -","8","2","VM2221","Wickramasinhage, Ravindra N.; McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim","The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-<i>N</i>,<i>N</i>,<i>N</i>-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate","Acta Crystallographica Section E","2019","75","10","1445","1451","10.1107/S2056989019012003","","","1.54184","CuKα","","0.0711","0.0596","","","0.1581","0.1725","","","","","","1.029","","","","has coordinates,has Fobs","218159","2020-10-21","18:00:00",""
"2243107","10.6117","0.0011","13.808","0.001","10.9137","0.0008","90","","90","","90","","1599.1","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(4-Methoxyphenyl)piperazin-1-ium trichloroacetate","","- C13 H17 Cl3 N2 O3 -","- C13 H17 Cl3 N2 O3 -","- C52 H68 Cl12 N8 O12 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0357","0.0321","","","0.0828","0.0861","","","","","","1.078","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243124","9.3492","0.0002","16.3716","0.0003","10.803","0.0002","90","","90","","90","","1653.52","0.06","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","<i>N</i>-(<i>tert</i>-butyl)-2-(phenylethynyl)imidazo[1,2-<i>a</i>]pyridin-3-\ amine","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","SU5507","Tber, Zahira; Kansiz, Sevgi; El Hafi, Mohamed; Loubidi, Mohamed; Jouha, Jabrane; Dege, Necmi; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure and Hirshfeld surface analysis of <i>N</i>-(<i>tert</i>-butyl)-2-(phenylethynyl)imidazo[1,2-<i>a</i>]pyridin-3-amine","Acta Crystallographica Section E","2019","75","10","1564","1567","10.1107/S2056989019012751","","","1.54178","CuKα","","0.0372","0.0345","","","0.0906","0.0935","","","","","","1.05","","","","has coordinates,has Fobs","218917","2020-10-21","18:00:00",""
"2243361","17.854","0.0011","11.5361","0.0006","18.5366","0.0012","90","","90","","90","","3817.9","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-[(<i>Z</i>)-2-(2<i>H</i>-1,3,2-Benzodioxaborol-2-yl)-2-phenylethenyl]-<i>N</i>-(propan-2-yl)aniline","","- C23 H22 B N O2 -","- C23 H22 B N O2 -","- C184 H176 B8 N8 O16 -","8","2","LH5953","Gubler, Joël; Chen, Peter","Structure of a push‒pull olefin prepared by ynamine hydroboration with a borandiol ester","Acta Crystallographica Section E","2020","76","5","710","714","10.1107/S2056989020005289","","x-ray","0.71073","MoKα","","0.0536","0.0386","","","0.0798","0.0862","","","","","","1.027","","","","has coordinates,has Fobs","251008","2020-10-21","18:00:00",""
"2243500","6.2592","0.0005","7.2229","0.0006","28.551","0.003","90","","90","","90","","1290.8","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C60 H48 F12 N4 O4 -","4","1","MW2164","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of 4-methyl-2-({[4-(trifluoromethyl)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2020","76","8","1325","1330","10.1107/S2056989020009615","","","0.71073","MoKα","","0.089","0.0733","","","0.1952","0.2127","","","","","","0.989","","","","has coordinates,has Fobs","254473","2020-10-21","18:00:00",""
"2243693","29.769","0.001","11.3173","0.0004","20.4028","0.0008","90","","90","","90","","6873.8","0.4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(4-Chlorobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 Cl N2 O2 -","- C18 H19 Cl N2 O2 -","- C288 H304 Cl16 N32 O32 -","16","4","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.1067","0.0551","","","0.1241","0.1434","","","","","","0.946","","","","has coordinates,has Fobs","259556","2020-12-05","05:34:53",""
"2243694","15.0779","0.0007","11.2868","0.0006","20.5297","0.0009","90","","90","","90","","3493.8","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(4-Bromobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 Br N2 O2 -","- C18 H19 Br N2 O2 -","- C144 H152 Br8 N16 O16 -","8","2","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.0956","0.0514","","","0.1212","0.13","","","","","","0.925","","","","has coordinates,has disorder,has Fobs","259556","2020-12-05","05:34:53",""
"2243910","13.4535","0.0005","4.951","0.0002","21.6188","0.0008","90","","90","","90","","1439.99","0.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","6-Aminoquinazolin-4(3<i>H</i>)-one","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C64 H56 N24 O8 -","8","2","","Turgunov, Kambarali; Ziyadullaev, Mirjalol; Khoshimov, Farkhod; Karimov, Rikhsiboy; Elmuradov, Burkhon","Crystal structures of 6-nitroquinazolin-4(3<i>H</i>)-one, 6-aminoquinazolin-4(3<i>H</i>)-one and 4-aminoquinazoline hemihydrochloride dihydrate","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021008823","","x-ray","1.54184","CuKα","","0.048","0.036","","","0.0885","0.0976","","","","","","1.022","","","","has coordinates,has Fobs","269046","2021-09-08","02:06:05",""
"2244063","11.142","0.002","7.2555","0.0015","27.333","0.006","90","","90","","90","","2209.6","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-(5-Phenyl-1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine","","- C11 H8 N4 O S -","- C11 H8 N4 O S -","- C88 H64 N32 O8 S8 -","8","2","YK2168","Nikitina, Evgeniya V.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Petkevich, Sergey K.; Akishina, Ekaterina A.; Khrustalev, Victor N.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of 5-(5-phenyl-1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2022","78","4","453","457","10.1107/S2056989022003450","","","0.71073","MoKα","","0.0944","0.0534","","","0.1088","0.1254","","","","","","1.03","","","","has coordinates,has Fobs","274188","2022-04-01","02:07:36",""
"2244126","7.1426","0.0004","17.0566","0.0009","11.152","0.0006","90","","90","","90","","1358.63","0.13","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4'-ethoxy-4-fluorochalcone","(2<i>E</i>)-1-(4-Ethoxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","1","ZL5033","Bernhard, Merle; Lutter, Jacob C.; Predecki, Allison","Crystal structure of (2<i>E</i>)-1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007423","","","0.71073","MoKα","","0.04","0.039","","","0.1032","0.1042","","","","","","1.096","","","","has coordinates,has Fobs","276896","2022-07-23","04:07:22",""
"2244144","24.367","0.002","4.3979","0.0005","10.1424","0.0009","90","","90","","90","","1086.9","0.18","293.15","","293.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-hydroxyimino-<i>N</i>-[1-(pyrazin-2-yl)ethylidene]propanohydrazide","","- C9 H11 N5 O2 -","- C9 H11 N5 O2 -","- C36 H44 N20 O8 -","4","1","VM2270","Plutenko, Maksym O.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Potaskalov, Vadim A.; Kalibabchuk, Valentina A.","Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hydroxyimino-<i>N</i>-[1-(pyrazin-2-yl)ethylidene]propanohydrazide","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022007927","","","0.71073","MoKα","","0.051","0.0372","","","0.0804","0.0882","","","","","","1.011","","","","has coordinates,has Fobs","277237","2022-08-13","01:51:13",""
"2244173","26.702","0.001","7.9626","0.0003","6.7571","0.0003","90","","90","","90","","1436.68","0.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-Phenylpiperazin-1-ium 4-carboxybut-2-enoate","4-Phenylpiperazin-1-ium fumarate","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C56 H72 N8 O16 -","4","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.0408","0.0337","","","0.0736","0.0771","","","","","","1.057","","","","has coordinates,has Fobs","279115","2022-11-08","19:41:03",""
"2244198","10.7521","0.0014","5.5245","0.0009","14.48","0.002","90","","90","","90","","860.1","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(1,3-Dithietan-2-ylidene)cyclohexane-1,3-dione","","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","- C32 H32 O8 S8 -","4","1","HB8028","Kellou, Sabah; Brihi, Ouarda; Chetioui, Souheyla; Salah Eddine, Lemallem; Abdelali, Fiala; Boudjada, Ali","Synthesis and crystal structure of 2-(1,3-dithietan-2-ylidene)cyclohexane-1,3-dione","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009872","","x-ray","0.71073","MoKα","","0.0993","0.0513","","","0.0798","0.0936","","","","","","1.004","","","","has coordinates,has Fobs","278581","2022-10-14","01:54:49",""
"2300303","18.7169","0.0004","6.5215","0.0002","5.0014","0.0001","90","","90","","90","","610.48","0.03","2","","2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","m-nitroaniline","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","HX5107","Probert, Michael R.; Robertson, Craig M.; Coome, Jonathan A.; Howard, Judith A. K.; Michell, Brian C.; Goeta, Andrés E.","The XIPHOS diffraction facility for extreme sample conditions","Journal of Applied Crystallography","2010","43","6","1415","1418","10.1107/S0021889810041282","","x-ray","0.71073","MOKα","K-L~3~","0.0359","0.0327","","","0.0863","0.088","","","","","","1.074","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300326","8.3649","0.0016","5.5063","0.001","25.129","0.004","90","","90","","90","","1157.4","0.4","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O S -","- C13 H10 F2 O S -","- C52 H40 F8 O4 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0449","0.0338","","","0.0886","0.1182","","","","","","1.19","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300683","9.6017","0.0002","13.3049","0.0004","6.4665","0.0001","90","","90","","90","","826.09","0.03","295","","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H5 K0.992 O4 -","- C8 H5 K0.992 O4 -","- C32 H20 K3.968 O16 -","4","1","","Petrenko, Arsen; Novikova, Nataliya; Blagov, Alexander; Kulikov, Anton; Pisarevskii, Yury; Verin, Igor; Kovalchuk, Michail","Lateral deformations of a crystal of potassium acid phthalate in an external electric field","Journal of Applied Crystallography","2021","54","5","1317","1326","10.1107/S1600576721007366","","x-ray","0.71073","MoKα","","0.032","0.0244","","","0.0232","0.0245","","","","1.24","1.24","1.21","","","","has coordinates,has Fobs","269853","2021-10-07","14:27:38",""
"2311061","11.0616","","7.7264","","15.558","","90","","90","","90","","1329.69","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Zn (S C (N H2)2)3 (S O4)","","- C3 H12 N6 O4 S4 Zn -","- C3 H12 N6 O4 S4 Zn -","- C12 H48 N24 O16 S16 Zn4 -","4","1","","Cole, J. M.; McIntyre, G. J.; Lehmann, M. S.; Myles, D. A. A.; Wilkinson, C.; Howard, J. A. K.","Rapid neutron-diffraction data collection for hydrogen-bonding studies: application of the Laue diffractometer (LADI) to the case study zinc tris(thiourea) sulfate","Acta Crystallographica Section A","2001","57","4","429","434","10.1107/S010876730100349X","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311201","7.2786","0.001","11.5055","0.0016","27.22","0.004","90","","90","","90","","2279.5","0.6","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-[5-Methyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C88 H80 N32 O24 -","8","2","IS5313","Vinutha, N.; Madan Kumar, S.; Nithinchandra, ?; Balakrishna, Kalluraya; Lokanath, N. K.; Revannasiddaiah, D.","1-[5-Methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazol-4-yl]ethanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 11","o1724","","10.1107/S1600536813029425","","","1.54178","CuKα","","0.0532","0.0457","","","0.1317","0.1381","","","","","","1.075","","","","has coordinates","245674","2020-10-21","18:00:00",""
"2311307","16.271","0.005","5.3804","0.0013","16.7","0.004","90","","90","","90","","1462","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Benzylsulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C14 H11 N5 O S2 -","- C14 H11 N5 O S2 -","- C56 H44 N20 O4 S8 -","4","1","TK5386","Vaarla, Krishnaiah; Rao, V. Rajeswar; Akkurt, Mehmet","Crystal structure of 3-benzyl-sulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o809","10","10.1107/S2056989015017351","","","0.71073","MoKα","","0.0344","0.0312","","","0.0753","0.0771","","","","","","1.079","","","","has coordinates","245780","2020-10-21","18:00:00",""
"2311519","19.1904","0.0004","5.33856","0.00012","26.5678","0.0006","90","","90","","90","","2721.85","0.1","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-1-{3-[(2-Hydroxy-3-methoxybenzylidene)amino]phenyl}ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","SU5402","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of (<i>E</i>)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (<i>E</i>)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1835","1839","10.1107/S2056989017015985","","","1.54184","CuKα","","0.0761","0.0476","","","0.0997","0.1132","","","","","","1.021","","","","has coordinates","245952","2020-10-21","18:00:00",""
"2311701","7.824","0.002","28.782","0.008","14.35","0.004","90","","90","","90","","3231.5","1.5","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Compound_1","","","- C20 H12 Cl2 S2 -","- C20 H12 Cl2 S2 -","- C160 H96 Cl16 S16 -","8","2","XM5002","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro","Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","265","275","10.1107/S205252061700364X","","","0.7107","MoKα","","0.0203","0.0201","","","0.052","0.0522","","","","","","1.073","","","","has coordinates","246090","2020-10-21","18:00:00",""
"2311702","7.8933","0.0001","29.1713","0.0004","14.4594","0.0002","90","","90","","90","","3329.39","0.08","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Compound_3","","","- C20 H12 Cl2 Se2 -","- C20 H12 Cl2 Se2 -","- C160 H96 Cl16 Se16 -","8","2","","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro","Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 2","265","275","10.1107/S205252061700364X","","","0.71069","MoKα","","0.0264","0.0243","","","0.0592","0.06","","","","","","1.058","","","","has coordinates","246090","2020-10-21","18:00:00",""
"2312029","29.189","0.008","5.5877","0.0015","8.686","0.003","90","","90","","90","","1416.7","0.7","298","","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin","Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma","Acta Crystallographica Section D","2022","78","9","","","10.1107/S2059798322007823","","x-ray","0.71073","MoKα","","0.1051","0.0744","","","0.1956","0.2111","","","","","","1.051","","","","has coordinates,has disorder","277409","2022-08-26","01:41:48",""
"2312141","12.0351","0.0004","15.1265","0.0005","10.5562","0.0004","90","","90","","90","","1921.75","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H4.36 Fe K2 O10.18 -","- C4 Fe K2 O10.1795 -","- C32 Fe8 K16 O81.436 -","8","2","RA5129","Amanchar, Sara; Schweitzer, Thierry; Mazet, Thomas; Malaman, Bernard; Diop, Leopold V. B.; Francois, Michel","Structure of the new iron(II) oxalate potassium salt K<sub>2</sub>Fe[(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·0.18H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004602","","","0.71073","MoKα","","0.0476","0.0366","","","0.0922","0.1004","","","","","","1.082","","","","has coordinates,has Fobs","284809","2023-07-05","02:07:23",""
"3500089","6.2275","0.0002","7.2083","0.0002","16.8213","0.0005","90","","90","","90","","755.1","0.04","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-iodo-4-methoxybenzene","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Thierry Maris","1-iodo-4-methoxybenzene","Personal communication to COD","2020","","","","","","","x-ray","1.54178","CuKα","","0.0282","0.0278","","","0.0641","0.0644","","","","","","1.092","","","","has coordinates,has Fobs","246665","2020-10-21","18:00:00",""
"4000019","18.905","0.004","6.484","0.001","5.016","0.001","90","","90","","90","","614.9","0.2","100","1","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","m-nitroaniline","m-nitroaniline","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","","Goeta, Andrés E.; Wilson, Chick C.; Autino, Juan C.; Ellena, Javier; Punte, Graciela","Hydrogen Bonding in Nitroanilines: Neutron Diffraction Study of m-Nitroaniline at 100 K","Chemistry of Materials","2000","12","11","3342","3346","10.1021/cm001092u","","neutron","","neutron","","0.0529","0.0529","","","0.1377","0.1377","","","","","","1.117","","","","has coordinates","178334","2020-10-21","18:00:00",""
"4000038","37.17","0.003","5.6947","0.0004","7.6038","0.0006","90","0.005","90","0.005","90","0.005","1609.5","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H13 N3 O4 -","- C18 H13 N3 O4 -","- C72 H52 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000039","41.576","0.003","5.4115","0.0002","7.8364","0.0006","90","0.005","90","0.005","90","0.005","1763.1","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000385","9.842","0.002","12.221","0.002","10.025","0.002","90","","90","","90","","1205.8","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Ammonium Lithium Pyrofluoroberyllate","","","- Be2 F7 H4 Li2 N -","- Be2 F7 H4 Li2 N -","- Be16 F56 H32 Li16 N8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm035316v","","","0.71073","MoKα","","0.0724","0.0408","","","0.0836","0.0955","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000792","14.8683","0.0002","5.6636","0.0001","17.6849","0.0003","90","","90","","90","","1489.21","0.04","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba8 Mo16 O72 Te8 -","8","2","","Zhang, Junjie; Zhang, Zhonghan; Zhang, Weiguo; Zheng, Qingxin; Sun, Youxuan; Zhang, Chengqian; Tao, Xutang","Polymorphism of BaTeMo2O9: A New Polar Polymorph and the Phase Transformation","Chemistry of Materials","2011","23","16","3752","","10.1021/cm2015143","","","0.71073","MoKα","","0.022","0.0205","","","0.0383","0.0387","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000872","20.1503","0.0006","9.3143","0.0003","19.2849","0.0007","90","","90","","90","","3619.5","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H61 Li Mg3 O5 -","- C31 H61 Li Mg3 O5 -","- C124 H244 Li4 Mg12 O20 -","4","1","","Heitz, Stephan; Epping, Jan-Dirk; Aksu, Yilmaz; Driess, Matthias","Molecular Heterobimetallic Approach to Li-Containing MgO Nanoparticles with Variable Li-Concentrations Using Lithium-Methylmagnesium Alkoxide Clusters","Chemistry of Materials","2010","22","16","4563","","10.1021/cm100415m","","","0.71073","MoKα","","0.0951","0.0732","","","0.1424","0.1502","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000885","13.978","0.002","9.226","0.0015","18.155","0.003","90","","90","","90","","2341.3","0.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H24 Cl4 Co N6 S4 -","- C12 H24 Cl4 Co N6 S4 -","- C48 H96 Cl16 Co4 N24 S16 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.0421","0.0354","","","0.0635","0.0655","","","","","","1.022","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000886","14.872","0.002","13.832","0.002","13.4507","0.0019","90","","90","","90","","2766.9","0.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H36 Co N9 S6 -","- C18 H36 Co N9 S6 -","- C72 H144 Co4 N36 S24 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.089","0.0432","","","0.068","0.0754","","","","","","0.676","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001272","12.5108","0.001","8.393","0.0013","7.0438","0.001","90","","90","","90","","739.62","0.17","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","8.4 Angstrom phase","","","- Cl2 O13 Yb4 -","- Cl2 O13 Yb4 -","- Cl4 O26 Yb8 -","2","0.5","","Poudret, Leslie; Prior, Timothy J.; McIntyre, Laura J.; Fogg, Andrew M.","Synthesis and Crystal Structures of New Lanthanide Hydroxyhalide Anion Exchange Materials, Ln2(OH)5X·1.5H2O (X = Cl, Br; Ln = Y, Dy, Er, Yb)","Chemistry of Materials","2008","20","24","7447","","10.1021/cm802301a","","","0.6943","synchrotron","","0.041","0.033","","","0.0685","0.0733","","","","","","1.178","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001349","21.576","0.003","9.778","0.0013","19.013","0.003","90","","90","","90","","4011.2","1","203","2","203","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C40 H66 Ca O5 -","- C40 H66 Ca O5 -","- C160 H264 Ca4 O20 -","4","1","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.0792","0.051","","","0.101","0.1127","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001397","17.3571","0.0012","8.5357","0.0006","8.0293","0.0006","90","","90","","90","","1189.58","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H10 Be N4 -","- C12 H10 Be N4 -","- C48 H40 Be4 N16 -","4","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.0562","0.0326","","","0.0505","0.0544","","","","","","0.856","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001511","10.969","0.004","21.912","0.008","10.902","0.004","90","","90","","90","","2620.3","1.7","143","1","143","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H22 B10 -","- C6 H22 B10 -","- C48 H176 B80 -","8","2","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.16","0.129","","","0.2905","0.3198","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001577","23.66","0.005","5.9832","0.0012","15.709","0.003","90","","90","","90","","2223.8","0.8","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 S4 -","- C12 H6 S4 -","- C96 H48 S32 -","8","2","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0596","0.0341","","","0.0755","0.0839","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001799","12.0872","0.0007","24.8979","0.0008","21.0015","0.001","90","","90","","90","","6320.3","0.5","293","","295","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Ba4 Nb2 O9 -","- Ba4 Nb2 O9 -","- Ba96 Nb48 O216 -","24","6","","Dunstan, Matthew T.; Blanc, Frédéric; Avdeev, Maxim; McIntyre, Garry J.; Grey, Clare P.; Ling, Chris D.","Long-Range-Ordered Coexistence of 4-, 5-, and 6-Coordinate Niobium in the Mixed Ionic-Electronic Conductor γ-Ba4Nb2O9","Chemistry of Materials","2013","25","15","3154","","10.1021/cm4014656","","neutron","1.2467","Neutron","","0.0822","0.0669","","","0.0683","0.0696","","","","3.75","3.75","3.48","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001863","28.715","0.004","8.5084","0.0013","25.367","0.004","90","","90","","90","","6197.6","1.6","293.15","","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Ba8 S15 Sn4 -","- Ba8 S15 Sn4 -","- Ba64 S120 Sn32 -","8","2","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure","Chemistry of Materials","2014","26","2","1093","","10.1021/cm403369m","","","0.71073","MoKα","","0.0235","0.0221","","","0.042","0.0425","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002669","8.5278","0.0008","29.824","0.003","33.208","0.003","90","","90","","90","","8445.9","1.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H84 I14 N6 Pb4 -","- C54 H84 I14 N6 Pb4 -","- C216 H336 I56 N24 Pb16 -","4","1","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0212","0.0202","","","0.0472","0.0478","","","","","","1.114","","","","has coordinates","184457","2020-10-21","18:00:00",""
"4002729","14.8082","0.0005","15.8608","0.0005","12.5156","0.0004","90","","90","","90","","2939.54","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Na2In4SSe6","","","- In8 Na4 S2 Se12 -","- In8 Na4 S2 Se12 -","- In32 Na16 S8 Se48 -","4","1","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71073","MoKα","","0.0328","0.0316","","","0.0742","0.0747","","","","","","1.078","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002841","11.449","0.002","11.435","0.002","10.144","0.002","90","","90","","90","","1328","0.4","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C4 H8 Cl2 Fe2 Li2 O12 -","- C4 H8 Cl2 Fe2 Li2 O12 -","- C16 H32 Cl8 Fe8 Li8 O48 -","4","1","","Yao, Wenjiao; Clark, Lucy; Xia, Mingjun; Li, Teng; Lee, Stephen L.; Lightfoot, Philip","Diverse Family of Layered Frustrated Magnets with Tailorable Interlayer Interactions","Chemistry of Materials","2017","29","16","6616","","10.1021/acs.chemmater.7b02434","","","0.71073","MoKα","","0.068","0.0395","","","0.0738","0.0839","","","","","","1.051","","","","has coordinates","200151","2020-10-21","18:00:00",""
"4002856","22.1968","0.0011","11.207","0.0006","21.0031","0.0011","90","","90","","90","","5224.7","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","tris(butane-1,4-bis(dimethylsulfonium)) dodecabromotriplumbate","","- C24 H60 Br12 Pb3 S6 -","- C24 H60 Br12 Pb3 S6 -","- C96 H240 Br48 Pb12 S24 -","4","1","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.7749","synchrotron","","0.0323","0.0304","","","0.0744","0.0757","","","","","","1.033","","","","has coordinates","201598","2020-10-21","18:00:00",""
"4003043","16.771","0.003","13.662","0.002","8.2368","0.0013","90","","90","","90","","1887.3","0.5","298","2","297.89","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.0392","0.0358","","","0.0847","0.0866","","","","","","1.094","","","","has coordinates","220462","2020-10-21","18:00:00",""
"4003127","33.1112","0.0016","5.2976","0.0003","17.5164","0.0008","90","","90","","90","","3072.5","0.3","103","2","102.75","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H40 N2 O5 -","- C39 H40 N2 O5 -","- C156 H160 N8 O20 -","4","1","","Chen, Yao; Yang, Lin; Wu, Jianglin; Wang, Gang; Huang, Wei; Melkonyan, Ferdinand S.; Lu, Zhiyun; Huang, Yan; Marks, Tobin J.; Facchetti, Antonio","Performance, Morphology, and Charge Recombination Correlations in Ternary Squaraine Solar Cells","Chemistry of Materials","2018","30","19","6810","","10.1021/acs.chemmater.8b02746","","","1.54178","CuKα","","0.033","0.0317","","","0.0758","0.0766","","","","","","1.062","","","","has coordinates,has disorder","226232","2020-10-21","18:00:00",""
"4003510","15.174","0.0009","20.313","0.0012","24.0911","0.0015","90","","90","","90","","7425.6","0.8","30","2","30","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","2","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0183","0.0167","","","0.0341","0.0346","","","","","","1.086","","","","has coordinates","249624","2020-10-21","18:00:00",""
"4003567","24.936","0.005","7.2372","0.0014","9.2971","0.0019","90","","90","","90","","1677.8","0.6","113","2","113","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H11 N5 -","- C22 H11 N5 -","- C88 H44 N20 -","4","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0837","0.0798","","","0.201","0.2045","","","","","","0.997","","","","has coordinates","252544","2020-10-21","18:00:00",""
"4003671","22.334","0.005","12.933","0.003","11.629","0.002","90","","90","","90","","3359","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C4 H16 Br4 N4 O Pb S -","- C4 H16 Br4 N4 O Pb S -","- C32 H128 Br32 N32 O8 Pb8 S8 -","8","2","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.0616","0.0566","","","0.1339","0.1399","","","","","","0.821","","","","has coordinates","256267","2020-10-21","18:00:00",""
"4003857","15.5258","0.0015","5.669","0.0004","7.9119","0.0006","90","","90","","90","","696.37","0.1","303.2","0.1","303.2","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo","Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04560","","x-ray","1.54184","CuKα","","0.0728","0.0689","","","0.18","0.1998","","","","","","1.183","","","","has coordinates","261358","2021-02-01","23:36:35",""
"4003858","15.5205","0.0009","5.663","0.0002","7.9163","0.0005","90","","90","","90","","695.78","0.06","293","","293","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo","Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04560","","x-ray","1.54184","CuKα","","0.062","0.0523","","","0.1272","0.1393","","","","","","1.06","","","","has coordinates","261359","2021-02-01","23:36:51",""
"4003874","18.6213","0.0004","4.872","0.0001","9.8741","0.0002","90","","90","","90","","895.81","0.03","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- F4 Mo O2 Sr -","- F4 Mo O2 Sr -","- F32 Mo8 O16 Sr8 -","8","2","","Jo, Hongil; Lee, Min Hyung; Ok, Kang Min","Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00074","","","0.71073","MoKα","","0.0315","0.0267","","","0.0536","0.0553","","","","","","1.006","","","","has coordinates","262242","2021-02-25","23:25:10",""
"4003875","19.436","0.0005","5.00774","0.00014","10.2481","0.0003","90","","90","","90","","997.45","0.05","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba F4 Mo O2 -","- Ba F4 Mo O2 -","- Ba8 F32 Mo8 O16 -","8","2","","Jo, Hongil; Lee, Min Hyung; Ok, Kang Min","Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00074","","","0.71073","MoKα","","0.0445","0.0438","","","0.111","0.1125","","","","","","1.05","","","","has coordinates","262242","2021-02-25","23:25:11",""
"4003876","19.0225","0.0005","4.9121","0.0001","9.9183","0.0003","90","","90","","90","","926.77","0.04","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- F4 Mo O2 Pb -","- F4 Mo O2 Pb -","- F32 Mo8 O16 Pb8 -","8","2","","Jo, Hongil; Lee, Min Hyung; Ok, Kang Min","Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00074","","","0.71073","MoKα","","0.0226","0.0207","","","0.0506","0.0516","","","","","","1.129","","","","has coordinates","262242","2021-02-25","23:25:11",""
"4003966","14.778","0.003","11.066","0.003","20.095","0.005","90","","90","","90","","3286.2","1.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H32 Co13 N8 S12 -","- C8 H32 Co13 N8 S12 -","- C32 H128 Co52 N32 S48 -","4","1","","Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E.","Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00540","","","0.71073","MoKα","","0.161","0.0641","","","0.1631","0.2249","","","","","","0.972","","","","has coordinates,has disorder","266787","2021-06-29","22:37:51",""
"4020098","28.868","0.013","7.868","0.003","6.302","0.003","90","","90","","90","","1431.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H22 Cl N O -","- C14 H22 Cl N O -","- C56 H88 Cl4 N4 O4 -","4","1","","Shengming Ma; Bin Wu; Xuefeng Jiang","","Journal of Organic Chemistry","2005","70","","2588","2593","10.1021/jo0480996","","","0.71073","MoKα","","0.0879","0.0764","","","0.2031","0.2143","","","","","","1.053","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020338","15.4862","0.0017","8.2197","0.0009","12.8638","0.0014","90","","90","","90","","1637.5","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020573","9.932","0.002","12.608","0.004","8.663","0.002","90","","90","","90","","1084.8","0.5","110","","110","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C40 H52 N4 O12 S4 -","4","1","","Ron W. Darbeau; Noe T. Alvarez; Gregory A. Trahan; Frank R. Fronczek","Investigating the Reaction of N-Carbobenzoxy-O-carbobenzoxy- hydroxylamine with Dimethyl Sulfoxide: Formation of S,S-Dimethyl-N-[(phenylmethoxy)- carbonyl]sulfoximine.","Journal of Organic Chemistry","2005","70","","9599","9602","10.1021/jo051158a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020860","15.9721","0.0003","8.8039","0.0002","11.4004","0.0003","90","","90","","90","","1603.09","0.05","173.15","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Koji Miki; Tomomi Yokoi; Fumiaki Nishino; Yumiko Kato; Yosuke Washitake; Kouichi Ohe; Sakae Uemura","Catalytic Cyclopropanation of Alkenes via (2-Furyl)carbene Complexes from 1-Benzoyl-cis-1-buten-3-yne with Transition Metal Compounds","Journal of Organic Chemistry","2004","69","","1557","1564","10.1021/jo0352732","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020926","10.5789","0.0002","5.1685","0.0001","36.6393","0.0007","90","","90","","90","","2003.33","0.07","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4","","","- C9 H12 O S2 -","- C9 H12 O S2 -","- C72 H96 O8 S16 -","8","2","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020975","9.6474","0.0006","9.557","0.0005","15.8983","0.0009","90","","90","","90","","1465.83","0.15","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H24 O2 -","- C17 H24 O2 -","- C68 H96 O8 -","4","1","","Alexey Rivkin; Felix González-López de Turiso; Tadamichi Nagashima; Dennis P. Curran","Radical and Palladium-Catalyzed Cyclizations to Cyclobutenes: An Entry to the BCD Ring System of Penitrem D","Journal of Organic Chemistry","2004","69","","3719","3725","10.1021/jo049873s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020993","13.6939","0.0008","12.8453","0.0007","20.2516","0.0012","90","","90","","90","","3562.3","0.4","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H12 Cl2 N4 Zn -","- C17 H12 Cl2 N4 Zn -","- C136 H96 Cl16 N32 Zn8 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020995","13.661","0.0017","12.4381","0.0016","20.72","0.003","90","","90","","90","","3520.7","0.8","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H12 Cl2 N4 O2 Zn -","- C16 H12 Cl2 N4 O2 Zn -","- C128 H96 Cl16 N32 O16 Zn8 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021050","16.9116","0.0003","5.5619","0.0001","36.4494","0.0008","90","","90","","90","","3428.45","0.11","223","2","223","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C176 H192 O16 -","8","2","","Jingkui Yang; David F. Cauble; Adam J. Berro; Nathan L. Bauld; Michael J. Krische","Anion Radical [2 + 2] Cycloaddition as a Mechanistic Probe: Stoichiometry- and Concentration-Dependent Partitioning of Electron-Transfer and Alkylation Pathways in the Reaction of the Gilman Reagent Me~2~CuLi·LiI with Bis(enones)","Journal of Organic Chemistry","2004","69","","7979","7984","10.1021/jo048499t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021346","15.527","0.002","6.0758","0.0008","20.691","0.003","90","","90","","90","","1952","0.4","193","2","193","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","2","","Fuye Gao; D. Jean Burnell","Reactions of 1,2-Bis(trimethylsilyloxy)cycloalkenes with the Diethyl Acetals of Aldehydes","Journal of Organic Chemistry","2006","71","","356","359","10.1021/jo051683+","","","0.71073","MoKα","","0.1009","0.0903","","","0.2068","0.2233","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021441","17.428","0.002","5.5538","0.0007","19.492","0.003","90","","90","","90","","1886.6","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H16 Br N3 O2 -","- C23 H16 Br N3 O2 -","- C92 H64 Br4 N12 O8 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.043","0.0372","","","0.0844","0.0878","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021691","20.703","0.002","5.5301","0.0005","7.6557","0.0008","90","","90","","90","","876.5","0.15","190","2","190","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H6 F2 O2 -","- C11 H6 F2 O2 -","- C44 H24 F8 O8 -","4","1","","Yi Wang; Donald J. Burton","A Facile, General Synthesis of 3,4-Difluoro-6-substituted-2-pyrones","Journal of Organic Chemistry","2006","71","","3859","3862","10.1021/jo060362a","","","0.71073","MoKα","","0.0566","0.0422","","","0.1002","0.1058","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021771","14.3874","0.0014","5.6698","0.0006","24.607","0.003","90","","90","","90","","2007.3","0.4","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H15 F O -","- C12 H15 F O -","- C96 H120 F8 O8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0635","0.0503","","","0.1352","0.1454","","","","","","1.046","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021774","16.8009","0.0018","11.0584","0.0012","20.623","0.002","90","","90","","90","","3831.6","0.7","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H28 O S -","- C22 H28 O S -","- C176 H224 O8 S8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0467","0.0335","","","0.0729","0.0808","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021790","14.174","0.002","13.068","0.002","14.911","0.003","90","","90","","90","","2761.9","0.8","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C140 H104 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0905","0.0493","","","0.0996","0.1179","","","","","","1.006","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021857","26.881","0.003","4.4185","0.0004","13.2856","0.0013","90","","90","","90","","1578","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H14 Br2 O2 -","- C18 H14 Br2 O2 -","- C72 H56 Br8 O8 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.038","0.0295","","","0.061","0.0634","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021884","12.5986","0.0006","8.2876","0.0004","20.2572","0.001","90","","90","","90","","2115.1","0.18","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Benjamin D. Stevens; Christopher J. Bungard; Scott G. Nelson","Strategies for Expanding Structural Diversity Available from Olefin Isomerization-Claisen Rearrangement Reactions","Journal of Organic Chemistry","2006","71","","6397","6402","10.1021/jo0605851","","","0.71073","MoKα","","0.0567","0.0481","","","0.1299","0.136","","","","","","1.247","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4022100","18.185","0.004","13.451","0.003","11.78","0.002","90","","90","","90","","2881.6","1","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H26 N4 O6 S2 -","- C27.98 H26 N4 O6 S2 -","- C111.92 H104 N16 O24 S8 -","4","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.2683","0.0546","","","0.1052","0.1767","","","","","","0.833","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022114","25.252","0.002","6.2471","0.0005","10.3606","0.0009","90","","90","","90","","1634.4","0.2","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H21 O5 P -","- C17 H21 O5 P -","- C68 H84 O20 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0786","0.0529","","","0.0751","0.081","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022635","11.4084","0.0009","13.9228","0.0004","18.075","0.001","90","","90","","90","","2870.9","0.2","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H47 N O3 -","- C27 H47 N O3 -","- C108 H188 N4 O12 -","4","1","","Pascale Cividino; Sandrine Py; Philippe Delair; Andrew E. Greene","1-(2,4,6-Triisopropylphenyl)ethylamine: A New Chiral Auxiliary for the Asymmetric Synthesis of γ-Amino Acid Derivatives","Journal of Organic Chemistry","2007","72","","485","493","10.1021/jo061976i","","","0.7107","MoKα","","0.0701","0.0701","","0.0822","","0.0822","","","1.887","","","1.887","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022671","17.308","0.004","7.7442","0.0015","7.4721","0.0015","90","","90","","90","","1001.5","0.3","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8.5 H11 Cl N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Nanyan Fu; Annette D. Allen; Shinjiro Kobayashi; Thomas T. Tidwell; Sinisa Vukovic; Selvananthan Arumugam; Vladimir V. Popik; Masaaki Mishima","Amino Substituted Bisketenes: Generation, Structure, and Reactivity","Journal of Organic Chemistry","2007","72","","1951","1956","10.1021/jo062090h","","","0.71073","MoKα","","0.1289","0.1131","","","0.2972","0.3128","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022906","28.2853","0.0012","32.5755","0.0008","51.646","0.002","90","","90","","90","","47587","3","100","2","100","2","","","","","","","synthesis as described","7","P c a 21","P 2c -2ac","29","","","","- C266.67 H220 Cl40 I2.67 N5.33 O32 P10.67 -","- C266.5 H204.233 Cl39.5 I2.66667 N5.33333 O32 P10.6667 -","- C1599 H1225.4 Cl237 I16 N32 O192 P64 -","6","1.5","","Rita De Zorzi; Béatrice Dubessy; Jean-Christophe Mulatier; Silvano Geremia; Lucio Randaccio; Jean-Pierre Dutasta","Structure of a 4:1:4 Supramolecular Assembly of Neutral TiiiiPO Cavitands and Tetrakis(N-methylpyridinium)porphyrin Iodide","Journal of Organic Chemistry","2007","72","","4528","4531","10.1021/jo070109q","","","0.9","synchrotron","","0.1574","0.1302","","","0.3195","0.3519","","","","","","1.446","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022950","15.45","0.01","10.49","0.007","10.828","0.007","90","","90","","90","","1755","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","jrc0831n","","","- C18 H15 Cl F2 O3 S -","- C18 H15 Cl F2 O3 S -","- C72 H60 Cl4 F8 O12 S4 -","4","1","","Jeremy P. Scott; David R. Lieberman; Olivier M. Beureux; Karel M. J. Brands; Antony J. Davies; Andrew W. Gibson; Deborah C. Hammond; Chris J. McWilliams; Gavin W. Stewart; Robert D. Wilson; Ulf-H. Dolling","A Practical Synthesis of a γ-Secretase Inhibitor","Journal of Organic Chemistry","2007","72","","4149","4155","10.1021/jo070407n","","","0.71073","MoKα","","0.0622","0.0515","","","0.1173","0.1225","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023391","22.6425","0.0013","6.5325","0.0004","23.7395","0.0013","90","","90","","90","","3511.4","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H26 N2 O4 -","- C18 H26 N2 O4 -","- C144 H208 N16 O32 -","8","2","","Christopher E. Katz; Timothy Ribelin; Donna Withrow; Yashar Basseri; Anna K. Manukyan; Amy Bermudez; Christian G Nuera; Victor W. Day; Douglas R. Powell; Jennifer L. Poutsma; Jeffrey Aubé","Nonbonded, Attractive Cation-π Interactions in Azide-Mediated Asymmetric Ring Expansion Reactions","Journal of Organic Chemistry","2008","73","","3318","3327","10.1021/jo800222r","","","0.71073","MoKα","","0.094","0.0645","","","0.1437","0.1575","","","","","","0.999","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023412","8.0259","0.0005","10.5149","0.0006","46.432","0.003","90","","90","","90","","3918.5","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H18 N2 O5 S2 -","- C20 H18 N2 O5 S2 -","- C160 H144 N16 O40 S16 -","8","2","","Stéphane Dufresne; W. G. Skene","Unsymmetric Pyrrole, Thiophene, and Furan-Conjugated Comonomers Prepared Using Azomethine Connections: Potential New Monomers for Alternating Homocoupled Products","Journal of Organic Chemistry","2008","73","","3859","3866","10.1021/jo8002503","","","1.54178","CuKα","","0.0413","0.0383","","","0.1008","0.1023","","","","","","1.025","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023625","10.9098","0.0008","21.5016","0.0016","10.3485","0.0008","90","","90","","90","","2427.5","0.3","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Jhillu S. Yadav; Basi V. Subba Reddy; Nagendra Nath Yadav; Manoj K. Gupta; Balasubramanian Sridhar","Gold(III) Chloride-Catalyzed Three-Component Reaction: A Facile Synthesis of Alkynyl Derivatives of 1,2-Dihydroquinolines and Isoquinolines","Journal of Organic Chemistry","2008","73","","6857","6859","10.1021/jo8007034","","","0.71073","MoKα","","0.0646","0.0503","","","0.124","0.1398","","","","","","1.153","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023820","10.577","0.009","12.475","0.01","7.715","0.006","90","","90","","90","","1018","1.4","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2,3-bis(bromomethyl)thieno[3,4-b]pyrazine","2,3-bis(bromomethyl)thieno[3,4-b]pyrazine","","- C8 H6 Br2 N2 S -","- C8 H6 Br2 N2 S -","- C32 H24 Br8 N8 S4 -","4","1","","Li Wen; Jon P. Nietfeld; Chad M. Amb; Seth C. Rasmussen","Synthesis and Characterization of New 2,3-Disubstituted Thieno[3,4-b]pyrazines: Tunable Building Blocks for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2008","73","","8529","8536","10.1021/jo801632z","","","0.71073","MoKα","","0.0416","0.0345","","","0.0872","0.092","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023913","18.8943","0.0012","4.5121","0.0003","11.5662","0.0008","90","","90","","90","","986.05","0.11","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Zhan Zhang; Ji-Young Shin; David Dolphin","Facile Synthesis of Unsubstituted β,β'-Linked Diformyldipyrromethanes","Journal of Organic Chemistry","2008","73","","9515","9517","10.1021/jo802114h","","","0.71073","MoKα","","0.0387","0.0327","","","0.0813","0.0849","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024108","10.7003","0.0017","14.395","0.002","8.1812","0.0013","90","","90","","90","","1260.2","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Rodney F. Klima; Abhijit V. Jadhav; Pradeep N. D. Singh; Mingxin Chang; Christine Vanos; Jagadis Sankaranarayanan; Mai Vu; Nazarin Ibrahim; Elaine Ross; Shaun McCloskey; Rajesh S. Murthy; Jeanette A. Krause; Bruce S. Ault; Anna D. Gudmundsdóttir","Photoinduced C-N Bond Cleavage in 2-Azido-1,3-diphenyl-propan-1-one Derivatives: Photorelease of Hydrazoic Acid","Journal of Organic Chemistry","2007","72","","6372","6381","10.1021/jo070558q","","","0.71073","MoKα","","0.0606","0.0559","","","0.1295","0.1319","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024151","25.5198","0.0008","5.0809","0.0002","20.1359","0.0007","90","","90","","90","","2610.89","0.16","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 F3 N O5 S2 -","- C9 H10 F3 N O5 S2 -","- C72 H80 F24 N8 O40 S16 -","8","2","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.0462","0.0353","","","0.0697","0.0749","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024197","11.7792","0.0007","13.4173","0.0009","8.3445","0.0005","90","","90","","90","","1318.81","0.14","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 N O5 P -","- C11 H16 N O5 P -","- C44 H64 N4 O20 P4 -","4","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.1041","0.0534","","","0.056","0.0649","","","","","","0.854","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024220","8.1119","0.0009","23.87","0.003","8.8068","0.001","90","","90","","90","","1705.3","0.3","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C64 H96 N16 O16 -","4","1","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0358","0.0321","","","0.0738","0.0772","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024257","9.4862","0.0016","8.3879","0.0014","24.325","0.004","90","","90","","90","","1935.6","0.6","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H23 N O5 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Weimin Lin; Cory R. Theberge; Timothy J. Henderson; Charles K. Zercher; Jerry Jasinski; Ray. J. Butcher","Stereoselective Formation of a Functionalized Dipeptide Isostere by Zinc Carbenoid-Mediated Chain Extension","Journal of Organic Chemistry","2009","74","","645","651","10.1021/jo801993k","","","0.71073","MoKα","","0.0382","0.0346","","","0.0883","0.0906","","","","","","1.043","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024353","20.034","0.004","7.8517","0.0013","20.191","0.003","90","","90","","90","","3176.1","0.9","293","2","296","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","1,5-diisopropyl-3-(2'-methoxyphenyl)-6-oxo-verdazyl","","- C15 H21 N4 O2 -","- C15 H21 N4 O2 -","- C120 H168 N32 O16 -","8","2","","Victoria Chemistruck; Dallas Chambers; David J. R. Brook","Structure-Property Relationships of Stable Free Radicals: Verdazyls with Electron-Rich Aryl Substituents","Journal of Organic Chemistry","2009","74","","1850","1857","10.1021/jo8019829","","","0.71073","MoKα","","0.0605","0.0413","","","0.094","0.1039","","","","","","0.999","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024588","34.8509","0.0019","7.5774","0.0004","13.3246","0.0007","90","","90","","90","","3518.7","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H17 N O8 -","- C19 H17 N O8 -","- C152 H136 N8 O64 -","8","2","","Shaofeng Duan; Ranjan Jana; Jon A. Tunge","Lewis Acid-Catalyzed Diastereoselective Hydroarylation of Benzylidene Malonic Esters","Journal of Organic Chemistry","2009","74","","4612","4614","10.1021/jo900367g","","","0.71073","MoKα","","0.0759","0.0564","","","0.1134","0.1201","","","","","","1.004","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024591","17.725","0.004","18.442","0.004","24.145","0.005","90","","90","","90","","7892","3","173","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H42 Cl2 O6 S4 -","- C39 H42 Cl2 O6 S4 -","- C312 H336 Cl16 O48 S32 -","8","2","","Ondrej Kundrat; Ivana Cisarova; Stanislav Böhm; Michaela Pojarova; Pavel Lhotak","Uncommon Regioselectivity in Thiacalix[4]arene Formylation","Journal of Organic Chemistry","2009","74","","4592","4596","10.1021/jo9005574","","","0.71073","MoKα","","0.0539","0.0455","","","0.1191","0.1269","","","","","","1.021","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4025006","14.829","0.004","15.582","0.005","23.732","0.007","90","","90","","90","","5484","3","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C68 H70 O4 -","- C68 H70 O4 -","- C272 H280 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1476","0.0793","","","0.1535","0.1791","","","","","","1.033","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4025197","11.537","0.007","14.916","0.007","7.794","0.004","90","","90","","90","","1341.2","1.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 I O2 -","- C16 H13 I O2 -","- C64 H52 I4 O8 -","4","1","","Raffaella Mancuso; Saurabh Mehta; Bartolo Gabriele; Giuseppe Salerno; William S. Jenks; Richard C. Larock","A Simple and Mild Synthesis of 1H-Isochromenes and (Z)-1-Alkylidene-1,3-dihydroisobenzofurans by the Iodocyclization of 2-(1-Alkynyl)benzylic Alcohols","Journal of Organic Chemistry","2010","75","","897","901","10.1021/jo902333y","","","0.71073","MoKα","","0.0583","0.0408","","","0.0974","0.1137","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025254","20.354","0.006","10.517","0.003","7.131","0.002","90","","90","","90","","1526.5","0.8","90","","90","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(S*)-3-bromo-5-((R*)-1-cyclohexyl-3-oxobutyl)-5-methyl-5H-furan-2-one","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0306","0.0259","","","0.0625","0.0646","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025670","19.7863","0.0003","20.0114","0.0004","23.0268","0.0004","90","","90","","90","","9117.5","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H74 F N13 O P4 -","- C36 H74 F N13 O P4 -","- C288 H592 F8 N104 O8 P32 -","8","2","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","1.54178","Cu-Kα","","0.0405","0.0377","","","0.0971","0.0989","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025737","19.296","0.001","11.2886","0.0006","26.8332","0.0015","90","","90","","90","","5844.9","0.5","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(dl)-tert-Butyl 2'-(hydroxydiphenylmethyl)-1,1'-binaphthyl-2-ylcarbamate","","- C38 H33 N O3 -","- C38 H33 N O3 -","- C304 H264 N8 O24 -","8","2","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0592","0.0414","","","0.0896","0.099","","","","","","1.039","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025895","10.8926","0.001","20.067","0.0019","7.3933","0.0007","90","","90","","90","","1616","0.3","193","2","193","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H13 N3 -","- C21 H13 N3 -","- C84 H52 N12 -","4","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0412","0.0332","","","0.0902","0.107","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025928","14.159","0.002","6.4481","0.0012","30.788","0.009","90","","90","","90","","2810.9","1.1","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C136 H176 O24 -","8","2","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.0823","0.0438","","","0.0915","0.1077","","","","","","1.006","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4026092","13.3473","0.001","14.7931","0.0014","17.9988","0.0019","90","","90","","90","","3553.8","0.6","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H24 O8 -","- C18 H24 O8 -","- C144 H192 O64 -","8","2","","Victoria L. Paddock; Robert J. Phipps; Almudena Conde-Angulo; Araceli Blanco-Martin; Carles Giró-Mañas; Laetitia J. Martin; Andrew J. P. White; Alan C. Spivey","(\±)-trans,cis-4-Hydroxy-5,6-di-O-isopropylidenecyclohex-2-ene-1-one: Synthesis and Facile Dimerization to Decahydrodibenzofurans","Journal of Organic Chemistry","2011","76","","1483","1486","10.1021/jo102314w","","","1.54248","CuKα","","0.0501","0.0478","","","0.1204","0.1224","","","","","","1.024","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026220","7.6398","0.0002","10.5667","0.0003","19.3868","0.0005","90","","90","","90","","1565.05","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H13 F3 N3 -","- C20 H13 F3 N3 -","- C80 H52 F12 N12 -","4","1","","Christos P. Constantinides; Panayiotis A. Koutentis; Harry Krassos; Jeremy M. Rawson; Anastasios J. Tasiopoulos","Characterization and Magnetic Properties of a ""Super Stable"" Radical 1,3-Diphenyl-7-trifluoromethyl-1,4-dihydro-1,2,4-benzotriazin-4-yl","Journal of Organic Chemistry","2011","76","","2798","2806","10.1021/jo200210s","","","0.71073","MoKα","","0.032","0.0285","","","0.0716","0.0724","","","","","","1.093","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026262","22.3967","0.0009","4.798","0.0002","9.4977","0.0004","90","","90","","90","","1020.62","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H16 B N O4 -","- C8 H16 B N O4 -","- C32 H64 B4 N4 O16 -","4","1","","Jing Sun; Michael T. Perfetti; Webster L. Santos","A Method for the Deprotection of Alkylpinacolyl Boronate Esters","Journal of Organic Chemistry","2011","76","","3571","3575","10.1021/jo200250y","","x-ray","0.71073","MoKα","","0.0481","0.0368","","","0.0767","0.0792","","","","","","1.025","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026364","20.497","0.004","10.569","0.002","19.108","0.004","90","","90","","90","","4139.4","1.4","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C208 H184 N8 O16 -","8","2","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0482","0.0418","","","0.1083","0.1179","","","","","","1.053","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026523","20.8394","0.0011","9.278","0.0005","24.4594","0.0014","90","","90","","90","","4729.2","0.4","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H58 Cl3 N O3 P2 -","- C48 H58 Cl3 N O3 P2 -","- C192 H232 Cl12 N4 O12 P8 -","4","1","","Ross M. Denton; Jie An; Beatrice Adeniran; Alexander J. Blake; William Lewis; Andrew M. Poulton","Catalytic Phosphorus(V)-Mediated Nucleophilic Substitution Reactions: Development of a Catalytic Appel Reaction","Journal of Organic Chemistry","2011","76","","6749","6767","10.1021/jo201085r","","","0.71073","MoKα","","0.0497","0.043","","","0.0925","0.0949","","","","","","1.01","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026660","10.03","0.006","19.181","0.012","8.34","0.005","90","","90","","90","","1604.5","1.7","295","1","295","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H23 N3 O -","- C16 H23 N3 O -","- C64 H92 N12 O4 -","4","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.0876","0.05","","","0.1299","0.1574","","","","","","1.029","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026769","12.2038","0.0007","4.1403","0.0003","22.3872","0.0016","90","","90","","90","","1131.17","0.13","130","","130","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","1","","Stephen A. Glover; Jonathan M. White; Adam A. Rosser; Katherine M. Digianantonio","Structures of N,N-Dialkoxyamides: Pyramidal Anomeric Amides with Low Amidicity","Journal of Organic Chemistry","2011","76","","9757","9763","10.1021/jo201856u","","","0.7107","MoKα","","0.0548","0.049","","","0.1219","0.1268","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026821","12.984","0.011","16.31","0.013","21.56","0.017","90","","90","","90","","4566","6","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H28 B2 F4 N6 S8 -","- C48 H28 B2 F4 N6 S8 -","- C192 H112 B8 F16 N24 S32 -","4","1","","Xinfu Zhang; Haibo Yu; Yi Xiao","Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes","Journal of Organic Chemistry","2012","77","","669","673","10.1021/jo201413b","","","0.71073","MoKα","","0.2149","0.0927","","","0.2352","0.2778","","","","","","0.999","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026938","17.04","0.02","8.094","0.012","26.81","0.03","90","","90","","90","","3698","8","293.1","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C128 H176 O72 -","8","2","","Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci","Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","1244","1250","10.1021/jo202494v","","","0.7107","MoKα","","","0.1","","","","0.064","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026973","14.787","0.005","6.7567","0.0016","13.309","0.005","90","","90","","90","","1329.7","0.7","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(4-Bromophenyl)-6,7a-dimethyltetrahydro -3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran","","- C14 H15 Br O4 -","- C14 H15 Br O4 -","- C56 H60 Br4 O16 -","4","1","","Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin","Selective Synthesis of Cyclic Peroxides from Triketones and H2O2","Journal of Organic Chemistry","2012","77","","1833","1842","10.1021/jo202437r","","x-ray","0.56085","AgKα","","0.0898","0.0416","","","0.0724","0.0839","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026985","16.9652","0.0008","11.2859","0.0005","10.6969","0.0005","90","","90","","90","","2048.11","0.16","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C84 H88 N8 O24 S4 -","4","1","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.0453","0.0395","","","0.0985","0.1022","","","","","","1.038","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027123","11.8047","0.0017","13.2341","0.0019","33.916","0.005","90","","90","","90","","5298.5","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 4","1,3-bis(4-methoxyphenyl)-5-o-tolyl-1,3,5-triazinane-2,4,6-trione","","- C56 H50 N6 O13 -","- C56 H50 N6 O13 -","- C224 H200 N24 O52 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Atropisomers of Hindered Triarylisocyanurates: Structure, Conformation, Stereodynamics, and Absolute Configuration","Journal of Organic Chemistry","2012","77","","3373","3380","10.1021/jo300192n","","","0.71073","MoKα","","0.117","0.076","","","0.2014","0.2434","","","","","","1.04","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027134","21.102","0.005","12.56","0.003","22.259","0.006","90","","90","","90","","5900","3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C66 H68 N14 O5 -","- C66 H68 N14 O5 -","- C264 H272 N56 O20 -","4","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0903","0.0838","","","0.1543","0.1572","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027140","10.4103","0.0008","21.643","0.002","8.6754","0.0009","90","","90","","90","","1954.7","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H28 O Si2 -","- C19 H28 O Si2 -","- C76 H112 O4 Si8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0764","0.0646","","","0.1424","0.1478","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027146","8.0539","0.0004","12.8886","0.0006","17.1903","0.0008","90","","90","","90","","1784.41","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.0332","0.0289","","","0.0655","0.0682","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027191","12.2521","0.0002","12.6316","0.0002","9.1798","0.0001","90","","90","","90","","1420.7","0.04","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54184","CuKα","","","0.0373","","","","0.101","","","","","","1.051","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027228","9.8152","0.0006","10.6246","0.0005","17.8012","0.0008","90","","90","","90","","1856.35","0.17","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H15 Cl2 N3 O -","- C20 H15 Cl2 N3 O -","- C80 H60 Cl8 N12 O4 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0809","0.0452","","","0.1166","0.138","","","","","","0.836","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027448","13.724","0.006","7.874","0.004","7.137","0.003","90","","90","","90","","771.2","0.6","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Xi-Ai Gao; Ru-Long Yan; Xian-Xue Wang; Hao Yan; Jian Li; Han Guo; Guo-Sheng Huang","Pd(II)-Catalyzed Synthesis of Benzisoxazolones from Benzohydroxamic Acids via C-H Activation","Journal of Organic Chemistry","2012","77","","7700","7705","10.1021/jo301180k","","","0.71073","MoKα","","0.0526","0.0394","","","0.092","0.0999","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027553","11.3522","0.0002","12.9233","0.0003","9.3901","0.0001","90","","90","","90","","1377.6","0.04","200","","200","","","","","","","","local","5","P c a 21","P 2c -2ac","29","","","","- C12 H10 F5 N O4 -","- C12 H10 F5 N O4 -","- C48 H40 F20 N4 O16 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0372","0.0325","","0.0829","0.08","0.0829","","","","","","1.0015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027602","15.7466","0.0017","15.9485","0.0018","8.156","0.001","90","","90","","90","","2048.3","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H24 N2 -","- C28 H24 N2 -","- C112 H96 N8 -","4","1","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0411","0.0398","","","0.0914","0.092","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027935","12.2523","0.0015","39.556","0.006","14.9678","0.0013","90","","90","","90","","7254.2","1.5","170","","170","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C120 H104 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.1671","0.1023","","0.1836","0.1174","0.1049","","","","","","1.1139","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028113","15.6706","0.0004","11.6448","0.0003","18.6587","0.0004","90","","90","","90","","3404.86","0.14","103","2","103","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H45 N O5 S Si -","- C37 H45 N O5 S Si -","- C148 H180 N4 O20 S4 Si4 -","4","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0627","0.0465","","","0.106","0.1261","","","","","","1.04","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028124","14.842","0.004","6.615","0.002","24.531","0.009","90","","90","","90","","2408.4","1.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","2","","Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee","One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes","Journal of Organic Chemistry","2013","78","","3445","3451","10.1021/jo400174w","","x-ray","0.71073","MoKα","","0.2255","0.0642","","","0.1037","0.144","","","","","","0.857","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028665","11.7756","0.0007","14.3426","0.0008","18.5462","0.0011","90","","90","","90","","3132.3","0.3","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(5-nitro-1H-indol-3-yl)-2,3-diphenyl-3,4-dihydroquinazoline","","- C30 H22 Cl6 N4 O2 -","- C30 H22 Cl6 N4 O2 -","- C120 H88 Cl24 N16 O8 -","4","1","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0939","0.0797","","","0.2195","0.2342","","","","","","1.035","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4029065","11.2513","0.0011","16.593","0.002","8.0237","0.0009","90","","90","","90","","1498","0.3","292.36","0.1","292.36","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.7107","MoKα","","0.1351","0.0699","","","0.1173","0.1565","","","","","","1.07","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029101","17.7097","0.0009","8.559","0.0004","13.1023","0.0006","90","","90","","90","","1986.01","0.16","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","055-fl","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.027","0.0255","","","0.0664","0.0673","","","","","","1.082","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029184","23.375","0.011","9.575","0.004","10.58","0.005","90","","90","","90","","2368","1.9","100","2","100","2","","","","","","","synthesis","5","P c a 21","P 2c -2ac","29","(Boc-Aib-S)2","","","- C18 H32 N2 O6 S2 -","- C18 H32 N2 O6 S2 -","- C72 H128 N8 O24 S8 -","4","1","","Mali, Sachitanand M.; Gopi, Hosahudya N.","Thioacetic Acid/NaSH-Mediated Synthesis of N-Protected Amino Thioacids and Their Utility in Peptide Synthesis.","The Journal of organic chemistry","2014","79","6","2377","2383","10.1021/jo402872p","","x-ray","0.71073","MoKα","","0.0748","0.0386","","","0.068","0.0767","","","","","","0.766","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029376","19.234","0.002","5.6695","0.0007","10.7313","0.0013","90","","90","","90","","1170.2","0.2","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Shimizu, Tomoaki; Koya, Shunsuke; Yamasaki, Ryu; Mutoh, Yuichiro; Azumaya, Isao; Katagiri, Kosuke; Saito, Shinichi","Acid-Mediated Ring-Expansion Reaction of N-Aryl-2-vinylazetidines: Synthesis and Unanticipated Reactivity of Tetrahydrobenzazocines.","The Journal of organic chemistry","2014","79","10","4367","4377","10.1021/jo500249c","","","0.71073","MoKα","","0.0291","0.0277","","","0.0692","0.0703","","","","","","1.058","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029608","12.0964","0.0008","12.2829","0.0004","10.317","0.0002","90","","90","","90","","1532.89","0.12","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-(5-acetyl-5,6-dihydrophenanthridin-6-yl)furan-2(5H)-one","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0366","0.0345","","","0.0866","0.0896","","","","","","1.061","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029637","8.357","0.0005","10.5669","0.0009","10.885","0.0007","90","","90","","90","","961.23","0.12","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Takagi, Koji; Al-Amin, Mohammad; Hoshiya, Naoyuki; Wouters, Johan; Sugimoto, Hiroshi; Shiro, Yoshitsugu; Fukuda, Hayato; Shuto, Satoshi; Arisawa, Mitsuhiro","Palladium-Nanoparticle-Catalyzed 1,7-Palladium Migration Involving C-H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of N1-Arylbenzotriazoles and an Evaluation of Their Inhibitory Activity toward Indoleamine 2,3-Dioxygenase.","The Journal of organic chemistry","2014","79","13","6366","6371","10.1021/jo5009838","","","0.71073","MoKα","","0.0296","0.0286","","","0.0765","0.0772","","","","","","1.069","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029954","20.5364","0.0008","5.4027","0.0002","18.7745","0.0009","90","","90","","90","","2083.07","0.15","90","2","90.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H18 N2 S2 -","- C28 H18 N2 S2 -","- C112 H72 N8 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.036","0.0334","","","0.0861","0.0879","","","","","","1.05","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4030024","28.113","0.0005","7.5217","0.0007","7.293","0.002","90","","90","","90","","1542.2","0.4","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H13 N3 O S -","- C19 H13 N3 O S -","- C76 H52 N12 O4 S4 -","4","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1132","0.0635","","","0.0945","0.1032","","","","2.05","2.05","1.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030073","10.9164","0.0005","9.6918","0.0005","24.1102","0.0014","90","","90","","90","","2550.8","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C128 H96 N16 S8 -","8","2","","Omar, Mohamed A.; Frey, Wolfgang; Conrad, Jürgen; Beifuss, Uwe","Transition-Metal-Free Synthesis of Imidazo[2,1-b]thiazoles and Thiazolo[3,2-a]benzimidazoles via an S-Propargylation/5-exo-dig Cyclization/Isomerization Sequence Using Propargyl Tosylates as Substrates.","The Journal of organic chemistry","2014","79","21","10367","","10.1021/jo501980w","","","0.71073","MoKα","","0.052","0.0431","","","0.0939","0.097","","","","","","1.052","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030286","16.9222","0.0014","10.4851","0.0008","23.796","0.002","90","","90","","90","","4222.1","0.6","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H22 Br N O3 -","- C24 H22 Br N O3 -","- C192 H176 Br8 N8 O24 -","8","2","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0814","0.0549","","","0.1556","0.1861","","","","","","1.071","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030327","13.407","0.001","15.6938","0.001","8.8651","0.0005","90","","90","","90","","1865.3","0.2","180","0.1","180","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0559","0.042","","","0.0849","0.092","","","","","","1.06","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030817","13.107","0.003","7.471","0.001","17.966","0.004","90","","90","","90","","1759.3","0.6","","","293","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- K4 Nb2 S11 -","- K4 Nb2 S11 -","- K16 Nb8 S44 -","4","1","","Bensch, W.; Durichen, P.","K4Nb2S11, the first niobium polysulfide with the monomeric anion Nb2S11(4-):","European Journal of Solid State and Inorganic Chemistry","1996","33","","527","536","","","x-ray","0.71073","MoKα","","","0.0386","","","0.05","","","","","","","1.61","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4031110","15.2114","0.0014","7.1506","0.0007","12.2547","0.0012","90","","90","","90","","1333","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","","Sar, Dinabandhu; Bag, Raghunath; Bhattacharjee, Debajyoti; Deka, Ramesh Chandra; Punniyamurthy, Tharmalingam","Iron(III)-Mediated Radical Nitration of Bisarylsulfonyl Hydrazones: Synthesis of Bisarylnitromethyl Sulfones.","The Journal of organic chemistry","2015","80","13","6776","6783","10.1021/acs.joc.5b00820","","","0.71073","MoKα","","0.0576","0.0406","","","0.0922","0.1023","","","","","","1.114","","","","has coordinates","140145","2020-10-21","18:00:00",""
"4031233","5.65","","7.46","","6.24","","90","","90","","90","","263.01","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Se O F2","","- F2 O Se -","- F2 O Se -","- F8 O4 Se4 -","4","1","","Dewan, J.C.; Edwards, A.J.","Fluoride crystal structures. Part 27. Seleninyl difluoride at -35 C","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1976","1976","","2433","2435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031297","12.0826","0.0007","14.2388","0.0008","18.9958","0.0012","90","","90","","90","","3268.1","0.3","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Ethyl 2-(4-morpholinyl)-6-propyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate","","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C128 H176 N32 O24 -","8","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.034","0.0322","","","0.0829","0.0842","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031367","9.302","","14.692","","10.842","","90","","90","","90","","1481.72","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(U O2) (Cl O4)2 (H2 O)7","","- Cl2 H14 O17 U -","- Cl2 O17 U -","- Cl8 O68 U4 -","4","1","","Alcock, N.W.; Esperas, S.","Crystal and molecular structure of uranyl diperchlorate heptahydrate","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1977","1977","","893","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031598","12.194","","7.906","","14.756","","90","","90","","90","","1422.56","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(N H4)3 (Mn (N O3)4) N O3","","- H12 Mn N8 O15 -","- H12 Mn N8 O15 -","- H48 Mn4 N32 O60 -","4","1","","Morozov, I.V.; Fedorova, A.A.; Rodionova, T.A.; Troyanov, S.I.","Synthesis and Crystal Structure of (NH4)3[Mn(NO3)4]NO3, (NH4)2[Zn(NO3)4], and (NH4)3[Ni2(NO3)7] Ammonium Nitratometallates","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","2003","48","","985","985","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031742","16.3306","0.0003","10.2549","0.0002","11.1879","0.0002","90","","90","","90","","1873.62","0.06","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 Cl N2 Ni -","- C20 H29 Cl N2 Ni -","- C80 H116 Cl4 N8 Ni4 -","4","1","","Yau, Johnathon; Hunt, Kaarel E.; McDougall, Laura; Kennedy, Alan R.; Nelson, David J.","Half-sandwich nickel(II) complexes bearing 1,3-di(cycloalkyl)imidazol-2-ylidene ligands.","Beilstein journal of organic chemistry","2015","11","","2171","2178","10.3762/bjoc.11.235","","","0.71073","MoKα","","0.0412","0.0336","","","0.0652","0.0683","","","","","","1.021","","","","has coordinates","173613","2020-10-21","18:00:00",""
"4031825","28.7618","0.0017","11.6367","0.0007","35.138","0.002","90","","90","","90","","11760.4","1.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H39 N15 O3 -","- C39 H39 N15 O3 -","- C312 H312 N120 O24 -","8","2","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.091","0.0645","","","0.1888","0.2146","","","","","","1.024","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4032056","15.8194","0.0004","7.2095","0.0002","38.1891","0.0009","90","","90","","90","","4355.47","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","XZ-C1","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C192 H176 N16 O48 -","16","4","","Xuan, Zi; Jung, Da Jung; Jeon, Hyun Ji; Lee, Sang-Gi","Pd-Catalyzed Aminocarbonylation of the Blaise Reaction Intermediate: One-Pot Synthesis of (Z)-3-Methyleneisoindolin-1-ones from Nitriles.","The Journal of organic chemistry","2016","81","20","10094","","10.1021/acs.joc.6b02095","","","0.71073","","","0.1756","0.0569","","","0.1381","0.1656","","","","","","0.916","","","","has coordinates","187936","2020-10-21","18:00:00",""
"4032212","14.1851","0.0005","9.0849","0.0005","8.6746","0.0007","90","","90","","90","","1117.9","0.12","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H6 Cl N O S2 -","- C11 H6 Cl N O S2 -","- C44 H24 Cl4 N4 O4 S8 -","4","1","","Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko","Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.","The Journal of organic chemistry","2017","82","1","804","810","10.1021/acs.joc.6b02585","","","0.71075","MoKα","","0.1035","0.0586","","","0.1371","0.1993","","","","","","1.135","","","","has coordinates","193214","2020-10-21","18:00:00",""
"4032322","30.257","0.002","6.1188","0.0004","18.0108","0.0013","90","","90","","90","","3334.5","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C168 H120 N48 -","12","3","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.269","0.2165","","","0.4274","0.4573","","","","","","1.067","","","","has coordinates","193304","2020-10-21","18:00:00",""
"4032619","15.8256","0.0002","16.314","0.0002","29.6844","0.0003","90","","90","","90","","7663.88","0.16","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H37 N5 O2 S2 Zn -","- C46 H37 N5 O2 S2 Zn -","- C368 H296 N40 O16 S16 Zn8 -","8","2","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","0.71073","MoKα","","0.0407","0.0336","","0.0757","0.0706","0.0757","","","","","","1","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032754","20.0478","0.0004","7.17097","0.00013","21.1937","0.0004","90","","90","","90","","3046.85","0.1","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C136 H176 O32 -","8","2","","Sahu, Raghaba; Singh, Vishwakarma","Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.","The Journal of organic chemistry","2017","82","12","6268","6278","10.1021/acs.joc.7b00867","","x-ray","1.54184","CuKα","","0.0563","0.0452","","","0.1167","0.1411","","","","","","1.176","","","","has coordinates","200334","2020-10-21","18:00:00",""
"4032791","17.164","0.0007","4.9032","0.0002","11.0678","0.0004","90","","90","","90","","931.45","0.06","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O4 -","- C9 H6 N4 O4 -","- C36 H24 N16 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0346","0.0335","","","0.0868","0.0879","","","","","","1.059","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032797","17.4187","0.0005","4.9357","0.0001","20.9705","0.0006","90","","90","","90","","1802.91","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C64 H40 N40 O32 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0324","0.028","","","0.069","0.0742","","","","","","1.074","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032835","10.81","0.0008","14.1314","0.0016","8.1358","0.0006","90","","90","","90","","1242.83","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C48 H40 N8 O8 S8 -","4","1","","Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan","Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.","The Journal of organic chemistry","2017","82","19","10234","10246","10.1021/acs.joc.7b01743","","","0.71073","MoKα","","0.0375","0.0325","","","0.0865","0.0909","","","","","","1.067","","","","has coordinates","202689","2020-10-21","18:00:00",""
"4032925","11.4491","0.0005","17.7989","0.0006","26.917","0.0011","90","","90","","90","","5485.2","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C34 H30 O3 S -","- C34 H30 O3 S -","- C272 H240 O24 S8 -","8","2","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.1093","0.0637","","","0.151","0.1854","","","","","","1.032","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4033070","7.4384","0.0008","11.371","0.0008","22.6158","0.0019","90","","90","","90","","1912.9","0.3","208","2","208","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,6-Di(4'-methoxyphenyl)anilinium perchlorate","","- C20 H20 Cl N O6 -","- C20 H20 Cl N O6 -","- C80 H80 Cl4 N4 O24 -","4","1","","Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.","The Journal of organic chemistry","2017","82","18","9418","9424","10.1021/acs.joc.7b01406","","","0.71073","MoKα","","0.044","0.0374","","","0.0904","0.0939","","","","","","1.054","","","","has coordinates","202619","2020-10-21","18:00:00",""
"4033091","12.2869","0.0011","6.2004","0.0005","15.4191","0.0011","90","","90","","90","","1174.68","0.16","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Bai, Dachang; Jia, Qingqian; Xu, Teng; Zhang, Qiuqiu; Wu, Fen; Ma, Chaorui; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","Rhodium(III)-Catalyzed C-H Activation of Nitrones and Annulative Coupling with Nitroalkenes.","The Journal of organic chemistry","2017","82","18","9877","9884","10.1021/acs.joc.7b01574","","","0.71073","MoKα","","0.0433","0.0379","","","0.1007","0.107","","","","","","1.041","","","","has coordinates","202628","2020-10-21","18:00:00",""
"4033147","16.4621","0.0008","5.519","0.0003","24.511","0.0013","90","","90","","90","","2226.9","0.2","93","","93","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H23 N O5 S2 -","- C25 H23 N O5 S2 -","- C100 H92 N4 O20 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","1.54187","CuKα","","0.0705","0.0496","","","0.111","0.1386","","","","","","1.196","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033190","21.63","0.005","10.13","0.005","7.429","0.002","90","","90","","90","","1627.8","1","230","2","230","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H22 B N3 -","- C18 H22 B N3 -","- C72 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1766","0.0791","","","0.1621","0.2118","","","","","","1.099","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033194","14.1684","0.0003","9.609","0.0002","14.3695","0.0003","90","","90","","90","","1956.32","0.07","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cl N O3 S -","- C20 H24 Cl N O3 S -","- C80 H96 Cl4 N4 O12 S4 -","4","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","1.54178","CuKα","","0.0278","0.0259","","","0.0632","0.0645","","","","","","1.049","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033268","18.4527","0.0008","14.5187","0.0008","7.1119","0.0003","90","","90","","90","","1905.34","0.16","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H18 N6 O4 -","- C17 H18 N6 O4 -","- C68 H72 N24 O16 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","","1.54178","CuKα","","0.043","0.0405","","","0.0955","0.0977","","","","","","1.063","","","","has coordinates,has disorder","204163","2020-10-21","18:00:00",""
"4033310","17.9542","0.0008","11.5049","0.0005","7.3428","0.0003","90","","90","","90","","1516.74","0.11","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H7 F2 I -","- C7 H7 F2 I -","- C56 H56 F16 I8 -","8","2","","Sarie, Jérôme C; Thiehoff, Christian; Mudd, Richard J.; Daniliuc, Constantin G.; Kehr, Gerald; Gilmour, Ryan","Deconstructing the Catalytic, Vicinal Difluorination of Alkenes: HF-Free Synthesis and Structural Study of p-TolIF2.","The Journal of organic chemistry","2017","82","22","11792","11798","10.1021/acs.joc.7b01671","","","0.71073","MoKα","","0.0241","0.0197","","","0.0386","0.0399","","","","","","1.044","","","","has coordinates","204741","2020-10-21","18:00:00",""
"4033328","12.3293","0.0006","3.9877","0.0002","26.5458","0.0016","90","","90","","90","","1305.14","0.12","293","2","293","2","","","","","","","Synthesis","4","P c a 21","P 2c -2ac","29","","Unkown","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","","Sau, Prasenjit; Rakshit, Amitava; Modi, Anju; Behera, Ahalya; Patel, Bhisma K.","Three Sequential C-N Bond Formations: tert-Butyl Nitrite as a N1 Synthon in a Three Component Reaction Leading to Imidazo[1,2-a]quinolines and Imidazo[2,1-a]isoquinolines.","The Journal of organic chemistry","2018","83","2","1056","1064","10.1021/acs.joc.7b02815","","x-ray","0.71073","MoKα","","0.0444","0.0344","","","0.0725","0.0821","","","","","","1.093","","","","has coordinates","227560","2020-10-21","18:00:00",""
"4033433","13.3456","0.0008","10.2748","0.0007","19.6583","0.0017","90","","90","","90","","2695.6","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H32 N2 O6 S2 -","- C28 H32 N2 O6 S2 -","- C112 H128 N8 O24 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","x-ray","0.71073","MoKα","","0.0846","0.0639","","","0.1415","0.158","","","","","","1.044","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033675","34.9784","0.0003","5.04961","0.00005","9.52947","0.00011","90","","90","","90","","1683.16","0.03","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C84 H56 N16 O8 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0248","0.024","","","0.059","0.0595","","","","","","1.067","","","","has coordinates","222251","2020-10-21","18:00:00",""
"4033739","12.5381","0.0011","12.1234","0.0011","21.6325","0.0019","90","","90","","90","","3288.2","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 Cl N O -","- C19 H16 Cl N O -","- C152 H128 Cl8 N8 O8 -","8","2","","Xiao, Jun-An; Li, Yu-Chun; Luo, Zhi-Jin; Cheng, Xiu-Liang; Deng, Zhi-Xiong; Chen, Wen-Qiang; Su, Wei; Yang, Hua","Construction of Bispirooxindole Heterocycles via Palladium-Catalyzed Ring-Opening Formal [3 + 2]-Cycloaddition of Spirovinylcyclopropyl Oxindole and 3-Oxindole Derivatives.","The Journal of organic chemistry","2019","84","4","2297","2306","10.1021/acs.joc.8b02889","","","0.71073","MoKα","","0.1494","0.0624","","","0.1065","0.1301","","","","","","1.004","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033780","15.212","0.0006","9.2803","0.0003","10.3264","0.0003","90","","90","","90","","1457.8","0.09","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C64 H48 F12 N4 O8 -","4","1","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0492","0.0471","","","0.144","0.1492","","","","","","1.173","","","","has coordinates","222355","2020-10-21","18:00:00",""
"4033847","14.0881","0.0002","7.8859","0.0001","35.7414","0.0004","90","","90","","90","","3970.77","0.09","100","0.1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H22 O7 -","- C24 H22 O7 -","- C192 H176 O56 -","8","2","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0315","0.0303","","","0.077","0.0786","","","","","","1.021","","","","has coordinates","222423","2020-10-21","18:00:00",""
"4033930","26.475","0.0008","10.6566","0.0003","18.45","0.0006","90","","90","","90","","5205.4","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","NFL-T22","","- C41 H47 I3 O2 S12 -","- C41 H47 I3 O2 S12 -","- C164 H188 I12 O8 S48 -","4","1","","Fleck, Nico; Hett, Tobias; Brode, Jonas; Meyer, Andreas; Richert, Sabine; Schiemann, Olav","C-C Cross-Coupling Reactions of Trityl Radicals: Spin Density Delocalization, Exchange Coupling, and a Spin Label.","The Journal of organic chemistry","2019","84","6","3293","3303","10.1021/acs.joc.8b03229","","","0.71073","MoKα","","0.0789","0.0653","","","0.1403","0.1497","","","","","","1.027","","","","has coordinates","222506","2020-10-21","18:00:00",""
"4033983","9.1","0.0004","14.3544","0.0004","17.5769","0.0007","90","","90","","90","","2295.98","0.15","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H26 Cl N3 O Ru -","- C25 H26 Cl N3 O Ru -","- C100 H104 Cl4 N12 O4 Ru4 -","4","1","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","1.54184","CuKα","","0.0489","0.0425","","","0.1134","0.1236","","","","","","1.064","","","","has coordinates","222551","2020-10-21","18:00:00",""
"4034155","27.017","0.006","13.446","0.003","14.381","0.003","90","","90","","90","","5224","2","90","2","90","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C64 H56 B Cl4 F2 N5 O2 -","- C64 H56 B Cl4 F2 N5 O2 -","- C256 H224 B4 Cl16 F8 N20 O8 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7829","Synchrotron","","0.1549","0.0692","","","0.1396","0.1838","","","","","","0.968","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034523","8.521","0.002","5.6665","0.0013","32.043","0.009","90","","90","","90","","1547.2","0.7","220","","220","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 F O2 S -","- C19 H15 F O2 S -","- C76 H60 F4 O8 S4 -","4","1","","Ni, Jiabin; Nishonov, Bekzod; Pardaev, Azizbek; Zhang, Ao","Palladium-Catalyzed Ring-Opening Coupling of <i>gem</i>-Difluorocyclopropanes for the Construction of 2-Fluoroallylic Sulfones.","The Journal of organic chemistry","2019","84","21","13646","13654","10.1021/acs.joc.9b01897","","","0.71073","MoKα","","0.0864","0.0538","","","0.0965","0.114","","","","","","0.993","","","","has coordinates","223028","2020-10-21","18:00:00",""
"4034561","15.0652","0.0003","12.5113","0.0003","19.6794","0.0005","90","","90","","90","","3709.28","0.15","293.6","0.19","293.6","0.19","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H17 N O2 S -","- C25 H17 N O2 S -","- C200 H136 N8 O16 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0646","0.0521","","","0.1187","0.1307","","","","","","1.047","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034580","11.4273","0.0002","12.1982","0.0002","12.8395","0.0002","90","","90","","90","","1789.73","0.05","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0298","0.0288","","","0.08","0.0806","","","","","","1.052","","","","has coordinates","223068","2020-10-21","18:00:00",""
"4034685","8.9275","0.0005","10.3757","0.0007","21.3167","0.0013","90","","90","","90","","1974.5","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","","Manoharan, Ramasamy; Logeswaran, Ravichandran; Jeganmohan, Masilamani","Ru(II)- or Rh(III)-Catalyzed Difunctionalization of Alkenes by Tandem Cyclization of N-Aryl Acrylamides with Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02527","","","0.71073","MoKα","","0.0719","0.044","","","0.0837","0.0975","","","","","","1.02","","","","has coordinates","223432","2020-10-21","18:00:00",""
"4034764","22.487","0.004","5.6204","0.0012","7.7323","0.0019","90","","90","","90","","977.3","0.4","117","2","117","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0675","0.0408","","","","0.1171","","","","","","1.061","","","","has coordinates","226287","2020-10-21","18:00:00",""
"4034907","27.52","0.006","5.4702","0.0011","21.104","0.004","90","","90","","90","","3177","1.1","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(3-diazo-2-oxopropyl)-4-methyl-N-phenylbenzenesulfonamide","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C128 H120 N24 O24 S8 -","8","2","","Castoldi, Laura; Ielo, Laura; Holzer, Wolfgang; Giester, Gerald; Roller, Alexander; Pace, Vittorio","α-Arylamino Diazoketones: Diazomethane-Loading Controlled Synthesis, Spectroscopic Investigations, and Structural X-ray Analysis.","The Journal of organic chemistry","2018","83","8","4336","4347","10.1021/acs.joc.7b03134","","x-ray","0.71073","MoKα","","0.153","0.0613","","","0.093","0.1144","","","","","","1.012","","","","has coordinates","226423","2020-10-21","18:00:00",""
"4034915","10.6723","0.0008","15.0547","0.001","8.1047","0.0005","90","","90","","90","","1302.17","0.15","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Lee, Heejin; Lee, Jae Kyun; Min, Sun-Joon; Seo, Hyeonglim; Lee, Youngbok; Rhee, Hakjune","Copper(I)-Catalyzed Synthesis of 1,4-Disubstituted 1,2,3-Triazoles from Azidoformates and Aryl Terminal Alkynes.","The Journal of organic chemistry","2018","83","8","4805","4811","10.1021/acs.joc.8b00022","","","0.71075","MoKα","","0.0394","0.0299","","","0.0714","0.0759","","","","","","1.015","","","","has coordinates","226430","2020-10-21","18:00:00",""
"4035001","13.755","0.004","5.1325","0.0015","25.638","0.008","90","","90","","90","","1810","0.9","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C80 H80 N16 O16 -","8","2","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.0857","0.0766","","","0.1939","0.2041","","","","","","1.093","","","","has coordinates","226505","2020-10-21","18:00:00",""
"4035051","24.4632","0.001","6.3155","0.0002","7.98","0.0003","90","","90","","90","","1232.89","0.08","293","","293","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0665","0.0551","","","0.1491","0.1714","","","","","","1.095","","","","has coordinates","226549","2020-10-21","18:00:00",""
"4035161","23.38","0.005","15.66","0.003","17.82","0.004","90","","90","","90","","6524","2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H28 Cl2 N10 O6 -","- C28 H28 Cl2 N10 O6 -","- C224 H224 Cl16 N80 O48 -","8","2","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.1089","0.0854","","","0.1744","0.1907","","","","","","1.081","","","","has coordinates","226641","2020-10-21","18:00:00",""
"4035206","13.7745","0.0002","9.69517","0.00016","23.1634","0.0004","90","","90","","90","","3093.38","0.09","162.46","0.1","162.46","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C128 H184 N8 O32 -","8","2","","Faderl, Christian; Budde, Simon; Kachkovskyi, Georgiy; Rackl, Daniel; Reiser, Oliver","Visible Light-Mediated Decarboxylation Rearrangement Cascade of ω-Aryl- N-(acyloxy)phthalimides.","The Journal of organic chemistry","2018","83","19","12192","12206","10.1021/acs.joc.8b01538","","","1.54184","CuKα","","0.0582","0.0516","","","0.1525","0.1638","","","","","","1.058","","","","has coordinates,has disorder","226684","2020-10-21","18:00:00",""
"4035342","18.0944","0.0013","6.5258","0.0005","18.8242","0.0014","90","","90","","90","","2222.8","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 F2 O4 -","- C11 H16 F2 O4 -","- C88 H128 F16 O32 -","8","2","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71075","MoKα","","0.0969","0.0709","","","0.1692","0.1822","","","","","","1.068","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035464","18.7921","0.0002","27.7246","0.0004","7.6833","0.0001","90","","90","","90","","4003.03","0.09","100.01","0.1","100.01","0.1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C34 H18 -","- C34 H18 -","- C272 H144 -","8","2","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.037","0.0337","","","0.0872","0.0896","","","","","","1.032","","","","has coordinates","226919","2020-10-21","18:00:00",""
"4035708","24.1507","0.0018","12.2214","0.0009","7.8434","0.0006","90","","90","","90","","2315","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H26 B F2 N3 -","- C29 H26 B F2 N3 -","- C116 H104 B4 F8 N12 -","4","1","","Mula, Soumyaditya; Leclerc, Nicolas; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles","Synthesis of Indolo[3,2- b]carbazole-Based Boron Complexes with Tunable Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2018","83","23","14406","14418","10.1021/acs.joc.8b01948","","","0.71075","MoKα","","0.0428","0.0383","","","0.0924","0.0966","","","","","","1.054","","","","has coordinates","227157","2020-10-21","18:00:00",""
"4035817","22.2044","0.0012","8.5077","0.0007","7.4456","0.0006","90","","90","","90","","1406.54","0.18","298","0.1","298","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Shi, Xiaonan; Chen, Xi; Wang, Muhua; Zhang, Xinying; Fan, Xuesen","Regioselective Synthesis of Acylated N-Heterocycles via the Cascade Reactions of Saturated Cyclic Amines with 2-Oxo-2-arylacetic Acids.","The Journal of organic chemistry","2018","83","12","6524","6533","10.1021/acs.joc.8b00805","","x-ray","0.71073","MoKα","","0.0462","0.0434","","","0.0984","0.0999","","","","","","1.111","","","","has coordinates","227241","2020-10-21","18:00:00",""
"4035887","24.8334","0.0013","5.7013","0.0003","7.5769","0.0004","90","","90","","90","","1072.76","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H7 F2 N O2 -","- C14 H7 F2 N O2 -","- C56 H28 F8 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0322","0.0277","","","0.0632","0.0657","","","","","","1.029","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035889","15.8917","0.0006","12.4954","0.0004","10.8866","0.0003","90","","90","","90","","2161.79","0.12","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 Br N O4 S -","- C25 H18 Br N O4 S -","- C100 H72 Br4 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0235","0.0211","","","0.052","0.0526","","","","","","1.078","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035972","15.346","0.0018","5.6824","0.0006","13.3043","0.0012","90","","90","","90","","1160.2","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-amino-2-phenyl-8-fluoroquinazoline","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0358","0.0316","","","0.0792","0.0835","","","","","","1.05","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4036102","15.812","0.003","7.204","0.0014","38.241","0.008","90","","90","","90","","4356","1.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C192 H176 N16 O48 -","16","4","","Chen, Xin; Ge, Fei-Fei; Lu, Tao; Zhou, Qing-Fa","Stereoselective synthesis of 3-methyleneisoindolin-1-ones via base-catalyzed intermolecular reactions of electron-deficient alkynes with N-hydroxyphthalimides.","The Journal of organic chemistry","2015","80","6","3295","3301","10.1021/acs.joc.5b00002","","","0.71073","MoKα","","0.1962","0.0827","","","0.0829","0.1056","","","","","","0.981","","","","has coordinates","234244","2020-10-21","18:00:00",""
"4036180","12.3414","0.0004","20.8549","0.0006","6.9482","0.0002","90","","90","","90","","1788.32","0.09","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0483","0.0411","","","0.0988","0.1049","","","","","","1.075","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036292","9.7517","0.0011","22.499","0.003","32.974","0.004","90","","90","","90","","7234.6","1.5","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4d in manuscript","","","- C36.5 H43.5 Cl1.5 N O9 -","- C36.5 H43.5 Cl1.5 N O9 -","- C292 H348 Cl12 N8 O72 -","8","2","","Baumgärtner, Kevin; Rominger, Frank; Mastalerz, Michael","An Oxidative Macrobicyclic Ring Opening of a Triptycene to a Highly Functionalized Fluorene Derivative.","The Journal of organic chemistry","2015","80","17","8881","8886","10.1021/acs.joc.5b01426","","","0.71073","MoKα","","0.1023","0.0771","","","0.2004","0.2191","","","","","","1.063","","","","has coordinates,has disorder","234518","2020-10-21","18:00:00",""
"4036418","15.2394","0.0007","20.1577","0.0012","14.1744","0.0007","90","","90","","90","","4354.3","0.4","295","2","295","2","","","","","","","Synthesis as described","5","P c a 21","P 2c -2ac","29","","8,10-Dimethyl-2,4-diphenyl[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium perchlorate","","- C22 H18 Cl N5 O4 -","- C22 H18 Cl N5 O4 -","- C176 H144 Cl8 N40 O32 -","8","2","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.5418","CuKα","","0.1062","0.0488","","","0.086","0.1001","","","","","","0.779","","","","has coordinates","234661","2020-10-21","18:00:00",""
"4036426","11.188","0.004","21.229","0.008","7.164","0.003","90","","90","","90","","1701.5","1.1","173.15","","173.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Li, Ming; Kong, Xiang-Jing; Wen, Li-Rong","Yb(OTf)3-Mediated Access to Furans from β-Ketothioamides via Eschenmoser Sulfide Contraction Reaction.","The Journal of organic chemistry","2015","80","24","11999","12005","10.1021/acs.joc.5b01924","","","0.71073","MoKα","","0.1109","0.0857","","","0.1288","0.142","","","","","","1.104","","","","has coordinates","234674","2020-10-21","18:00:00",""
"4036530","20.31","0.006","7.868","0.002","6.8379","0.0019","90","","90","","90","","1092.7","0.5","143","2","143","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Horn, Evan J.; Silverston, Joel S.; Vanderwal, Christopher D.","A Failed Late-Stage Epimerization Thwarts an Approach to Ineleganolide.","The Journal of organic chemistry","2016","81","5","1819","1838","10.1021/acs.joc.5b02550","","","0.71073","MoKα","","0.0621","0.0449","","","0.1008","0.1117","","","","","","1.151","","","","has coordinates","234822","2020-10-21","18:00:00",""
"4036532","25.004","0.014","9.417","0.005","5.912","0.003","90","","90","","90","","1392.1","1.3","421","2","421","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.047","0.0354","","","0.0782","0.0841","","","","","","1.035","","","","has coordinates","234827","2020-10-21","18:00:00",""
"4036877","22.5932","0.0004","9.89595","0.00019","9.79336","0.00018","90","","90","","90","","2189.61","0.07","123","","123","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0323","0.0295","","","0.0721","0.0737","","","","","","1.076","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036885","9.58732","0.00015","7.56398","0.00014","16.239","0.0004","90","","90","","90","","1177.62","0.04","99.9","0.5","99.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0266","0.0251","","","0.0599","0.061","","","","","","1","","","","has coordinates","235365","2020-10-21","18:00:00",""
"4036948","32.136","0.002","14.7792","0.0011","7.6234","0.0006","90","","90","","90","","3620.7","0.5","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C200 H144 O16 -","8","2","","Harris, Trevor; Gomes, Gabriel Dos Passos; Clark, Ronald J.; Alabugin, Igor V.","Domino Fragmentations in Traceless Directing Groups of Radical Cascades: Evidence for the Formation of Alkoxy Radicals via C-O Scission.","The Journal of organic chemistry","2016","81","14","6007","6017","10.1021/acs.joc.6b01052","","","0.71073","MoKα","","0.0404","0.0355","","","0.0813","0.0839","","","","","","1.018","","","","has coordinates","235467","2020-10-21","18:00:00",""
"4037063","23.742","0.0005","7.5924","0.0001","7.887","0.0002","90","","90","","90","","1421.7","0.05","200","","200","","","","","","","","local","4","P c a 21","P 2c -2ac","29","","","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0351","0.0298","","0.0739","0.0715","0.0739","","","","","","0.9888","","","","has coordinates","235621","2020-10-21","18:00:00",""
"4037211","18.17","0.017","4.534","0.004","19.969","0.018","90","","90","","90","","1645","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Huang, Zhi-You; Yang, Jing-Fang; Song, Ke; Chen, Qian; Zhou, Shao-Lin; Hao, Ge-Fei; Yang, Guang-Fu","One-Pot Approach to N-Quinolyl 3'/4'-Biaryl Carboxamides by Microwave-Assisted Suzuki-Miyaura Coupling and N-Boc Deprotection.","The Journal of organic chemistry","2016","81","20","9647","9657","10.1021/acs.joc.6b01725","","","0.71073","MoKα","","0.1047","0.0685","","","0.1883","0.2385","","","","","","1.051","","","","has coordinates","235808","2020-10-21","18:00:00",""
"4037277","22.087","0.013","10.022","0.006","8.828","0.005","90","","90","","90","","1954","2","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H22 N6 -","- C22 H22 N6 -","- C88 H88 N24 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0395","0.0318","","","0.0676","0.071","","","","","","1.059","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037421","20.9818","0.0003","8.85852","0.0001","8.04013","0.0001","90","","90","","90","","1494.4","0.03","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0358","0.0328","","","0.0862","0.0896","","","","","","1.051","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037703","17.3124","0.0012","8.7717","0.0006","20.9073","0.0014","90","","90","","90","","3175","0.4","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","5 in manuscript","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C160 H96 Br16 -","8","2","","Regulska, Elzbieta; Ruppert, Heiko; Rominger, Frank; Romero-Nieto, Carlos","Synthesis of Blue-Luminescent Seven-Membered Phosphorus Heterocycles","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02723","","","0.71073","MoKα","","0.0585","0.0409","","","0.0928","0.0991","","","","","","1.033","","","","has coordinates,has disorder","245355","2020-10-21","18:00:00",""
"4037713","12.2966","0.0013","6.8639","0.0005","18.5829","0.0015","90","","90","","90","","1568.4","0.2","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H24 O -","- C21 H24 O -","- C84 H96 O4 -","4","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.0954","0.0645","","","0.1396","0.1683","","","","","","1.05","","","","has coordinates","245412","2020-10-21","18:00:00",""
"4037842","6.0928","0.0003","6.9436","0.0004","21.7386","0.0008","90","","90","","90","","919.67","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H7 Br N4 -","- C8 H7 Br N4 -","- C32 H28 Br4 N16 -","4","1","","Rajamanickam, Suresh; Sah, Chitranjan; Mir, Bilal Ahmad; Ghosh, Subhendu; Sethi, Garima; Yadav, Vinita; Venkataramani, Sugumar; Patel, Bhisma K.","Bu<sub>4</sub>NI-Catalyzed, Radical-Induced Regioselective <i>N</i>-Alkylations and Arylations of Tetrazoles Using Organic Peroxides/Peresters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02875","","","0.71073","MoKα","","0.0576","0.0418","","","0.0883","0.0984","","","","","","1.001","","","","has coordinates","247165","2020-10-21","18:00:00",""
"4037951","22.723","0.0004","9.998","0.0002","15.819","0.0005","90","","90","","90","","3593.83","0.15","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C144 H168 N8 O32 S8 -","8","2","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0554","0.0518","","","0.1388","0.1425","","","","","","1.106","","","","has coordinates","248385","2020-10-21","18:00:00",""
"4038137","15.8646","0.001","5.3549","0.0003","10.5519","0.0006","90","","90","","90","","896.42","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H10 F N O -","- C11 H10 F N O -","- C44 H40 F4 N4 O4 -","4","1","","Banjare, Shyam Kumar; Biswal, Pragati; Ravikumar, Ponneri Chandrababu","Cobalt-Catalyzed One-Step Access to Pyroquilon and C-7 Alkenylation of Indoline with Activated Alkenes Using Weakly Coordinating Functional Group.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00023","","x-ray","0.71073","MoKα","","0.0692","0.059","","","0.161","0.171","","","","","","1.033","","","","has coordinates","249801","2020-10-21","18:00:00",""
"4038328","16.4039","0.0016","7.632","0.0008","32.433","0.003","90","","90","","90","","4060.4","0.7","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19.5 H20 I2 N2 O2 -","- C19.5 H20 I2 N2 O2 -","- C156 H160 I16 N16 O16 -","8","2","","Bell, Abbegail C.; Boomsma, Alex B.; Flikweert, Niecia E.; Hohlman, Robert M.; Zhang, Shiyuan; Blankespoor, Ronald L.; Biros, Shannon M.; Staples, Richard J.; Brickner, Steven J.; Barbachyn, Michael Robert","The Synthesis of Functionalized 3-Aryl- and 3-Heteroaryloxazolidin-2-ones and Tetrahydro-3-Aryl-1,3-oxazin-2-ones via the Iodocyclocarbamation Reaction. Access to Privileged Chemical Structures and Scope and Limitations of the Method.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03400","","","0.71073","MoKα","","0.066","0.0604","","","0.1452","0.1488","","","","","","1.174","","","","has coordinates,has disorder","251783","2020-10-21","18:00:00",""
"4038360","13.6817","0.0004","7.8188","0.0002","16.3276","0.0005","90","","90","","90","","1746.64","0.09","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H23 Cl5 N2 Pd -","- C12 H23 Cl5 N2 Pd -","- C48 H92 Cl20 N8 Pd4 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.02","0.0183","","","0.0394","0.0399","","","","","","1.105","","","","has coordinates","252030","2020-10-21","18:00:00",""
"4038435","14.2902","0.0002","15.0604","0.0002","6.8511","0.0001","90","","90","","90","","1474.47","0.04","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Hickey, Shane; Nitschke, Samuel; Sweetman, Martin Jay; Sumby, Christopher J.; Brooks, Douglas A.; Plush, Sally E.; Ashton, Trent D.","Cross-coupling of amide and amide derivatives to umbelliferone nonaflates: synthesis of coumarin derivatives and fluorescent materials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00813","","x-ray","0.71073","MoKα","","0.0411","0.0373","","","0.0993","0.1021","","","","","","1.043","","","","has coordinates","252463","2020-10-21","18:00:00",""
"4038546","19.7853","0.0003","22.1644","0.0004","10.4","0.0002","90","","90","","90","","4560.7","0.14","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H35 O5 -","- C23 H35 O5 -","- C184 H280 O40 -","8","2","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0414","0.0365","","","0.0935","0.0966","","","","","","1.032","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038617","12.769","0.0015","5.7458","0.0007","31.33","0.004","90","","90","","90","","2298.6","0.5","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.0535","0.0486","","","0.1211","0.1248","","","","","","1.063","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038690","18.769","0.003","5.6852","0.0009","29.015","0.004","90","","90","","90","","3096.1","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H15 N O2 Se -","- C17 H15 N O2 Se -","- C136 H120 N8 O16 Se8 -","8","2","","Chen, Jia-Min; Qi, Lin; Zhang, Linlin; Li, Li-Jun; Hou, Cong-Ying; Li, Wei; Wang, Li-Jing","Copper/DTBP-Promoted Oxyselenation of Propargylic Amines with Diselenides and CO<sub>2</sub>: Synthesis of Selenyl 2-Oxazolidinones.","The Journal of organic chemistry","2020","85","16","10924","10933","10.1021/acs.joc.0c01519","","","0.71073","MoKα","","0.142","0.0428","","","0.0447","0.0565","","","","","","0.867","","","","has coordinates","255876","2020-10-21","18:00:00",""
"4038706","17.7454","0.0002","13.7235","0.0002","21.0126","0.0003","90","","90","","90","","5117.18","0.12","173","1","173","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C248 H224 N16 O24 -","8","2","","Campbell, Molly V.; Iretskii, Alexei V.; Mosey, R. Adam","One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01308","","","1.54178","CuKα","","0.0472","0.0398","","","0.0907","0.0955","","","","","","1.037","","","","has coordinates","255557","2020-10-21","18:00:00",""
"4038847","9.4553","0.0003","7.4507","0.0003","24.9074","0.0008","90","","90","","90","","1754.69","0.11","293.77","0.1","293.77","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H19 N O S2 -","- C19 H19 N O S2 -","- C76 H76 N4 O4 S8 -","4","1","","Cheng, Bin; Li, Hui; Hou, Jieping; Zhang, Xinping; He, Yixuan; Sun, Haiyan; Xu, Wei; Wang, Taimin; Zhai, Hongbin","Synthesis of 3,4-Dihydro-2H-1,3-thiazines from α-Enolic Dithioesters and 1,3,5-Triazinanes via a Formal (3 + 3) Annulation Reaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01984","","x-ray","1.54184","CuKα","","0.0367","0.035","","","0.0873","0.0899","","","","","","1.092","","","","has coordinates","256837","2020-10-21","18:00:00",""
"4038908","21.1613","0.0017","8.9412","0.0007","10.6525","0.0009","90","","90","","90","","2015.5","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C88 H100 N4 O32 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.0383","0.0355","","","0.0917","0.094","","","","","","1.074","","","","has coordinates","258534","2020-10-21","23:23:36",""
"4038915","13.3711","0.0005","12.805","0.0005","20.1366","0.0007","90","","90","","90","","3447.7","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C152 H216 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0551","0.0432","","","0.1085","0.1157","","","","","","1.052","","","","has coordinates,has disorder","258535","2020-10-21","23:25:58",""
"4060060","24.97","0.001","12.621","0.001","28.554","0.001","90","","90","","90","","8998.7","0.9","198","2","198","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H46 O P3 Rh Zr -","- C54 H46 O P3 Rh Zr -","- C432 H368 O8 P24 Rh8 Zr8 -","8","2","","Carsten Cornelissen; Gerhard Erker; Gerald Kehr; Roland Fröhlich","Chemistry of Metal-Metal-Bonded Early-Late Heterobimetallics: Cooperative Reactions of Functional Groups at a Persistent Organometallic Zr-Rh Framework","Organometallics","2005","24","","214","225","10.1021/om049346z","","","0.71073","MoKα","","0.0901","0.051","","","0.0817","0.0937","","","","","","1.012","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060280","21.851","0.003","12.4144","0.0019","11.4185","0.0017","90","","90","","90","","3097.5","0.8","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H24 Cr N S2 -","- C14 H24 Cr N S2 -","- C112 H192 Cr8 N8 S16 -","8","2","","","","Organometallics","2005","","","","","10.1021/om048974d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060821","22.264","0.002","9.087","0.001","29.044","0.003","90","","90","","90","","5875.9","1.1","158","2","158","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H48 Ge O Si4 -","- C23 H48 Ge O Si4 -","- C184 H384 Ge8 O8 Si32 -","8","2","","","","Organometallics","2002","","","","","10.1021/om0108696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061430","20.969","0.005","10.579","0.002","20.325","0.005","90","","90","","90","","4508.8","1.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H71 Ce O Si6 -","- C31 H71 Ce O Si6 -","- C124 H284 Ce4 O4 Si24 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050098w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061561","17.89","0.004","10.162","0.002","14.624","0.003","90","","90","","90","","2658.6","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H43 P3 Ru -","- C25 H43 P3 Ru -","- C100 H172 P12 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061794","18.0898","0.0009","10.2167","0.0005","15.1416","0.0007","90","","90","","90","","2798.4","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[RuCp(eta^3^-(P,C,C)-PPh~2~CHC-(CH~2~)~3~-eta^2^-(C,C)-CCHNEt~2~)]PF~6~","","","- C28 H33 F6 N P2 Ru -","- C28 H33 F6 N P2 Ru -","- C112 H132 F24 N4 P8 Ru4 -","4","1","","Pavlik, Sonja; Jantscher, Florian; Mereiter, Kurt; Kirchner, Karl","Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the P-N Bond of an Aminophosphine Ligand.","Organometallics","2005","24","21","4899","4901","10.1021/om050688u","","","","","","","","","","","","","","","","","","","","","has coordinates","133699","2020-10-21","18:00:00",""
"4061966","19.891","0.003","8.213","0.002","13.806","0.002","90","","90","","90","","2255.4","0.7","133","2","133","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H35 Br2 N4 Tb -","- C17 H35 Br2 N4 Tb -","- C68 H140 Br8 N16 Tb4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062089","19.1523","0.0007","10.1817","0.0004","24.7512","0.0012","90","","90","","90","","4826.6","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H70 Li O4 Y -","- C57.71 H69.9 Li O4 Y -","- C230.84 H279.6 Li4 O16 Y4 -","4","1","","Kirillov, Evgueni; Toupet, Loic; Lehmann, Christian W.; Razavi, Abbas; Kahlal, Samia; Saillard, Jean-Yves; Carpentier, Jean-François","[(Cp-CMe~2~-Flu)~2~Ln]^-^[Li(ether)n]^+^ (Ln = Y, La): Complexes with Unusual Coordination Modes of the Fluorenyl Ligand and the First Examples of Bis-Ansa Lanthanidocenes","Organometallics","2003","22","20","4038","4046","10.1021/om030181o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192071","2020-10-21","18:00:00",""
"4062093","17.8709","0.0004","15.3128","0.0003","12.4896","0.0002","90","","90","","90","","3417.82","0.12","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H32 Ga N2 P -","- C12 H32 Ga N2 P -","- C96 H256 Ga8 N16 P8 -","8","2","","Bauer, Tillmann; Schulz, Stephan; Nieger, Martin","Bis(alkylamino)phosphanes - Deprotonation Reactions and reactivity of t-BuP(NH-tBu)2 toward Group 13 Compounds","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062283","20.973","0.004","12.496","0.003","27.89","0.006","90","","90","","90","","7309","3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C70 H100 F4 Li2 O4 P2 Si4 -","- C70 H100 F4 Li2 O4 P2 Si4 -","- C280 H400 F16 Li8 O16 P8 Si16 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4062372","23.2861","0.0003","7.6958","0.0001","29.365","","90","","90","","90","","5262.29","0.1","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cr4 N2 O20 Te2 -","- C38 H46 Cr4 N2 O20 Te2 -","- C152 H184 Cr16 N8 O80 Te8 -","4","1","","Shieh, Minghuey; Ho, Li-Fang; Guo, Yu-Wen; Lin, Shu-Fen; Lin, Yi-Chun; Peng, Shie-Ming; Liu, Yi-Hung","Carbonylchromium Monotelluride Complexes [Et~4~N]~2~[Te{Cr(CO)~5~}~n~] (n = 2, 3): Two Important Intermediates","Organometallics","2003","22","24","5020","5026","10.1021/om034033+","","","","","","","0.0422","","","0.0946","","","","","","","","","","","has coordinates","192151","2020-10-21","18:00:00",""
"4062554","10.7839","0.0003","9.4726","0.0004","17.2463","0.0008","90","","90","","90","","1761.7","0.2","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H22 N O P -","- C19 H22 N O P -","- C76 H88 N4 O4 P4 -","4","1","","Speiser Fredy; Braunstein Pierre; Saussine Lucien; Welter Richard","Synthesis, Structures and Catalytic Ethylene Oligomerisation Behavior of Nickel Complexes with Oxazoline-based P,N-Chelate Ligands.","Organometallics","2004","","","","","10.1021/om034197q","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063218","18.4637","0.0002","10.6432","0.0001","17.2377","0.0001","90","","90","","90","","3387.43","0.05","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","Pt(dippe)(SO2Me)(Me)","","","- C29 H56 Cl2 O2 P2 Pt S -","- C29 H56 Cl2 O2 P2 Pt S -","- C116 H224 Cl8 O8 P8 Pt4 S4 -","4","1","","Michael S. Morton; Rene J. Lachicotte; David A. Vicic; William D. Jones","Insertion of Elemental Sulfur and SO2 into the Metal-Hydride and Metal-Carbon Bonds of Platinum Compounds","Organometallics","1999","18","","227","234","10.1021/om980772s","","","0.71073","MoKα","","0.0886","0.0607","","0.0924","0.0845","","","","1.086","1.137","1.137","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063743","18.0833","0.0006","5.0482","0.0003","38.0518","0.0013","90","","90","","90","","3473.7","0.3","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H87 N8 Na3 O33 Te4 -","- C48 H87 N8 Na3 O32.952 Te4 -","- C96 H174 N16 Na6 O65.904 Te8 -","2","0.5","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.0659","0.0412","","","0.0712","0.0754","","","","","","0.872","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063802","17.8991","0.0004","9.0917","0.0002","14.4468","0.0003","90","","90","","90","","2350.97","0.09","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,6-Dimethylpiperidinium tris(perfluorophenyl)borohydride","","- C25 H15 B F15 N -","- C25 H15 B F15 N -","- C100 H60 B4 F60 N4 -","4","1","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Heterolytic Cleavage of H2by Frustrated B/N Lewis Pairs","Organometallics","2011","30","8","2117","","10.1021/om100951a","","","0.71073","MoKα","","0.0567","0.0431","","","0.1027","0.1172","","","","","","1.038","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4064265","13.4868","0.0005","9.2244","0.0004","9.2241","0.0003","90","","90","","90","","1147.55","0.08","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H16 O4 Zn2 -","- C8 H16 O4 Zn2 -","- C32 H64 O16 Zn8 -","4","1","","Orchard, Katherine L.; Harris, Jonathan E.; White, Andrew J. P.; Shaffer, Milo S. P.; Williams, Charlotte K.","Solvent Dependence of the Structure of Ethylzinc Acetate and Its Application in CO2/Epoxide Copolymerization","Organometallics","2011","30","8","2223","","10.1021/om200004a","","","1.54184","CuKα","","0.0651","0.0396","","","0.094","0.1342","","","","","","1.165","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064360","16.6389","0.0005","8.6518","0.0002","19.5164","0.0005","90","","90","","90","","2809.51","0.13","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H42 Fe N2 -","- C29 H42 Fe N2 -","- C116 H168 Fe4 N8 -","4","1","","Xiang, Li; Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation","Organometallics","2011","30","7","2018","","10.1021/om2000663","","","0.71073","MoKα","","0.046","0.0385","","","0.0934","0.1004","","","","","","1","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064392","18.842","0.006","25.205","0.012","17.491","0.009","90","","90","","90","","8307","6","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H41 Cl4 Ni O3 P3 -","- C41 H37 Ni O3 P3 -","- C328 H296 Ni8 O24 P24 -","8","2","","Ringenberg, Mark R.; Gray, Danielle L.; Rauchfuss, Thomas B.","Oxidative Addition of a Diphosphine Anhydride to Iron(0) and Nickel(0): A Simple Approach to Installing Four Ligands","Organometallics","2011","30","10","2885","","10.1021/om200073k","","","0.71073","MoKα","","0.064","0.0502","","","0.1061","0.1114","","","","","","1.04","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064400","32.4515","0.0005","7.56209","0.0001","8.37152","0.00011","90","","90","","90","","2054.38","0.05","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H24 Mn O2 P -","- C24 H24 Mn O2 P -","- C96 H96 Mn4 O8 P4 -","4","1","","Valyaev, Dmitry A.; Lugan, Noël; Lavigne, Guy; Ustynyuk, Nikolai A.","Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations","Organometallics","2011","30","8","2318","","10.1021/om2000772","","","0.71073","MoKα","","0.0642","0.0641","","","0.1169","0.117","","","","","","1.493","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064714","12.7007","0.0004","11.9861","0.0004","18.9847","0.0006","90","","90","","90","","2890.08","0.16","110","","110","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H37 Au F6 P Sb -","- C26 H37 Au F6 P Sb -","- C104 H148 Au4 F24 P4 Sb4 -","4","1","","Brooner, Rachel E. M.; Widenhoefer, Ross A.","Syntheses, X-ray Crystal Structures, and Solution Behavior of Cationic, Two-Coordinate Gold(I) η2-Diene Complexes","Organometallics","2011","30","11","3182","","10.1021/om200291s","","","0.71073","MoKα","","0.0624","0.0364","","","0.0721","0.0848","","","","","","1.032","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064745","17.9556","0.0017","9.898","0.0009","14.285","0.0013","90","","90","","90","","2538.8","0.4","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H38 Cl4 P4 Rh2 -","- C13 H38 Cl4 P4 Rh2 -","- C52 H152 Cl16 P16 Rh8 -","4","1","","Choi, Jun-Chul; Kohno, Kazufumi; Otsuka, Michiko; Yasuda, Hiroyuki; Sakakura, Toshiyasu","Synthesis of a Rhodium(III) Diethyl μ-Carbonato Complex in the Reaction of CO2, H2O, and Ethylene","Organometallics","2011","30","22","6060","","10.1021/om200303w","","","0.71073","MoKα","","0.0148","0.0146","","","0.0375","0.0376","","","","","","1.039","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064830","24.2699","0.0001","8.90511","0.00006","29.1073","0.0002","90","","90","","90","","6290.85","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C70 H66 O9 S5 -","- C70 H66 O9 S5 -","- C280 H264 O36 S20 -","4","1","","Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.","κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion","Organometallics","2011","30","14","3804","","10.1021/om200357v","","","1.54184","CuKα","","0.0331","0.0321","","","0.0843","0.085","","","","","","1.055","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064900","26.159","0.0018","8.5982","0.0002","20.5101","0.0004","90","","90","","90","","4613.1","0.3","85","2","85","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H18 B N S -","- C10 H18 B N S -","- C160 H288 B16 N16 S16 -","16","4","","Rohr, Ahleah D.; Banaszak Holl, Mark M.; Kampf, Jeff W.; Ashe, Arthur J.","2H-1,2-Thiaborin: A New Boron‒Sulfur Heterocycle","Organometallics","2011","30","14","3698","","10.1021/om200400j","","","1.54178","CuKα","","0.0608","0.0502","","","0.1194","0.1278","","","","","","1.076","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064958","15.3317","0.0016","13.6601","0.0014","19.549","0.002","90","","90","","90","","4094.2","0.7","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","jonsk27","(dippe)Pt(Me)(SMe)","","- C16 H38 P2 Pt S -","- C16 H38 P2 Pt S -","- C128 H304 P16 Pt8 S8 -","8","2","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.1052","0.0697","","","0.1598","0.1858","","","","","","1.008","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4065057","10.8257","0.0001","13.0647","0.0002","15.7426","0.0003","90","","90","","90","","2226.55","0.06","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H22 F6 P2 Ru -","- C22 H22 F6 P2 Ru -","- C88 H88 F24 P8 Ru4 -","4","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.03","0.0258","","","0.0511","0.0534","","","","","","1.035","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065109","28.8657","0.0008","10.0683","0.0002","22.3077","0.0006","90","","90","","90","","6483.3","0.3","133","2","133","2","","","","","","","","7","P c a 21","P 2c -2ac","29","BzRuOTf(MegaF)","","","- C28 H13 F21 N2 O3 Ru S -","- C28 H13 F21 N2 O3 Ru S -","- C224 H104 F168 N16 O24 Ru8 S8 -","8","2","","Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions","Organometallics","2011","30","20","5381","","10.1021/om200566a","","","0.71073","MoKα","","0.0535","0.0403","","","0.0811","0.087","","","","","","1.029","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065144","18.9405","0.0011","8.6971","0.0005","17.7071","0.0011","90","","90","","90","","2916.8","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C24 H43 B2 F4 N6 Os P -","- C24 H43 B2 F4 N6 Os P -","- C96 H172 B8 F16 N24 Os4 P4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Reactions of an Osmium Bis(dihydrogen) Complex under Ethylene: Phosphine Addition to a C‒C Double Bond and C‒H Bond Activation of Fluoroarenes","Organometallics","2011","30","21","5710","","10.1021/om2005854","","","0.71073","MoKα","","0.0574","0.0449","","","0.1071","0.1139","","","","","","1.161","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065244","30.7359","0.0004","27.2804","0.0003","15.03","0.0002","90","","90","","90","","12602.5","0.3","103","2","103","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Cp*RuCl((3,5-(CF3)2C6H3NCMe)2CH)","","","- C31 H28 Cl F12 N2 Ru -","- C31 H28 Cl F12 N2 Ru -","- C496 H448 Cl16 F192 N32 Ru16 -","16","4","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.0401","0.0342","","","0.074","0.0772","","","","","","1.188","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065443","20.096","0.013","7.401","0.005","22.203","0.015","90","","90","","90","","3302","4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H44 Cl2 N2 O2 P2 Pd2 -","- C30 H44 Cl2 N2 O2 P2 Pd2 -","- C120 H176 Cl8 N8 O8 P8 Pd8 -","4","1","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.0689","0.0556","","","0.135","0.1441","","","","","","1.057","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065695","17.7339","0.0013","16.8224","0.0012","16.5342","0.0012","90","","90","","90","","4932.6","0.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H32 Cl N3 O3 Pd -","- C21 H32 Cl N3 O3 Pd -","- C168 H256 Cl8 N24 O24 Pd8 -","8","2","","Vicente, José; Arcas, Aurelia; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.","Organometallic Complexes of Palladium(II) Derived from 2,6-Diacetylpyridine Dimethylketal","Organometallics","2010","29","14","3066","","10.1021/om100079x","","","0.71073","MoKα","","0.0325","0.0317","","","0.0712","0.0716","","","","","","1.135","","","","has coordinates,has disorder","178549","2020-10-21","18:00:00",""
"4065737","18.903","0.003","12.1036","0.0016","22.446","0.003","90","","90","","90","","5135.5","1.3","90","2","90","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C55 H66 I La N2 O3 P2 -","- C55 H66 I La N2 O3 P2 -","- C220 H264 I4 La4 N8 O12 P8 -","4","1","","Wooles, Ashley J.; Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of Dysprosium and Lanthanum Bis(iminophosphorano)methanide and -methanediide Complexes","Organometallics","2010","29","10","2315","","10.1021/om100104s","","","0.71073","MoKα","","0.0806","0.0605","","","0.1134","0.1192","","","","","","1.072","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4066121","15.333","0.004","9.79","0.003","25.859","0.007","90","","90","","90","","3881.7","1.9","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C184 H200 N8 O16 -","8","2","","Chen, Ying; Mandal, Sukhendu; Sen, Ayusman","Synthesis of (N−O)-Ligated Palladium(II) Complexes and Their Use in Ethene Homopolymerization and Norbornene Copolymerizations","Organometallics","2010","29","14","3160","","10.1021/om1003013","","","0.71073","MoKα","","0.1134","0.0625","","","0.1189","0.1341","","","","","","0.973","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4066169","24.6372","0.0011","14.9207","0.0006","23.5877","0.001","90","","90","","90","","8670.9","0.6","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C48 B F35 -","- C48 B F35 -","- C384 B8 F280 -","8","2","","Fan, Cheng; Piers, Warren E.; Parvez, Masood; McDonald, Robert","Divergent Reactivity of Perfluoropentaphenylborole with Alkynes§","Organometallics","2010","29","21","5132","","10.1021/om100334r","","","0.71073","MoKα","","0.0541","0.0423","","","0.1072","0.1147","","","","","","1.035","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066190","17.3438","0.0019","9.5471","0.0011","20.73","0.002","90","","90","","90","","3432.5","0.6","185","2","185","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H49 Al N2 -","- C36 H49 Al N2 -","- C144 H196 Al4 N8 -","4","1","","Liu, Zhizhou; Gao, Wei; Zhang, Jingshun; Cui, Dongmei; Wu, Qiaolin; Mu, Ying","Bis(imino)aryl NCN Pincer Aluminum and Zinc Complexes: Synthesis, Characterization, and Catalysis onl-Lactide Polymerization","Organometallics","2010","29","22","5783","","10.1021/om100344p","","","0.71073","MoKα","","0.0834","0.0488","","","0.1009","0.1147","","","","","","1.008","","","","has coordinates,has disorder","178553","2020-10-21","18:00:00",""
"4066346","25.157","0.005","14.943","0.003","34.178","0.007","90","","90","","90","","12848","4","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C65 H94 Al3 N5 -","- C65 H94 Al3 N5 -","- C520 H752 Al24 N40 -","8","2","","Maheswari, K.; Rajendran, N. M.; Meyer, Jens; Reddy, N. Dastagiri","Reactions of an Aluminum Amide with Aromatic Nitriles: Formation of Al−N−C Frameworks","Organometallics","2010","29","17","3799","","10.1021/om100406y","","","0.71073","MoKα","","0.13","0.0678","","","0.1055","0.1268","","","","","","0.952","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066424","23.759","0.004","14.786","0.003","23.118","0.004","90","","90","","90","","8121","3","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H56 Au B F4 N4 -","- C38 H56 Au B F4 N4 -","- C304 H448 Au8 B8 F32 N32 -","8","2","","Gaillard, Sylvain; Nun, Pierrick; Slawin, Alexandra M. Z.; Nolan, Steven P.","Expeditious Synthesis of [Au(NHC)(L)]+(NHC = N-Heterocyclic Carbene; L = Phosphine or NHC) Complexes†","Organometallics","2010","29","21","5402","","10.1021/om100456b","","","0.71073","MoKα","","0.1047","0.0757","","","0.172","0.1915","","","","","","1.076","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066581","22.3532","0.0003","11.3158","0.0001","29.4442","0.0004","90","","90","","90","","7447.74","0.16","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H52 B2 Fe -","- C46 H52 B2 Fe -","- C368 H416 B16 Fe8 -","8","2","","Morgan, Ian R.; Broomsgrove, Alexander E. J.; Fitzpatrick, Philip; Vidovic, Dragoslav; Thompson, Amber L.; Fallis, Ian A.; Aldridge, Simon","Anion Recognition by Highly Sterically Encumbered 1,2-Diborylferrocenes§","Organometallics","2010","29","21","4762","","10.1021/om1005337","","","0.71073","MoKα","","0.0679","0.0459","","0.1124","0.1029","0.1124","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066597","28.719","0.004","10.7837","0.0014","8.0015","0.0011","90","","90","","90","","2478","0.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H26 N O2 P Pd -","- C30 H26 N O2 P Pd -","- C120 H104 N4 O8 P4 Pd4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Abellán-López, Antonio; Bautista, Delia","Reactivity ofortho-β-Enaminone-phenyl Palladium Complexes. Insertion of CO into the Pd−C Bond to Give the First Acyl C,N,O-Pincer Complexes. Sequential Insertion of Dimethylacetylenedicarboxylate into the Enaminone C−H Bond and of Isocyanide into the Pd−C Bond. A New Photooxigenation/Cyclization Process†","Organometallics","2010","29","21","5693","","10.1021/om1005403","","","0.71073","MoKα","","0.0742","0.057","","","0.1011","0.1076","","","","","","1.042","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066599","16.4206","0.0006","8.4472","0.0003","38.9101","0.0015","90","","90","","90","","5397.1","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H34 I N3 O5 Pd -","- C23 H34 I N3 O5 Pd -","- C184 H272 I8 N24 O40 Pd8 -","8","2","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Abellán-López, Antonio; Bautista, Delia","Reactivity ofortho-β-Enaminone-phenyl Palladium Complexes. Insertion of CO into the Pd−C Bond to Give the First Acyl C,N,O-Pincer Complexes. Sequential Insertion of Dimethylacetylenedicarboxylate into the Enaminone C−H Bond and of Isocyanide into the Pd−C Bond. A New Photooxigenation/Cyclization Process†","Organometallics","2010","29","21","5693","","10.1021/om1005403","","","0.71073","MoKα","","0.0236","0.023","","","0.0566","0.0568","","","","","","1.105","","","","has coordinates,has disorder","178557","2020-10-21","18:00:00",""
"4066666","19.4433","0.0005","17.4975","0.0005","38.5849","0.001","90","","90","","90","","13126.9","0.6","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H36 B F12 P -","- C36 H36 B F12 P -","- C576 H576 B16 F192 P16 -","16","4","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Dihydrogen Activation by B(p-C6F4H)3and Phosphines","Organometallics","2010","29","16","3647","","10.1021/om100563m","","","0.71073","MoKα","","0.1254","0.0597","","","0.0985","0.1163","","","","","","1.025","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066902","19.1456","0.0009","8.5058","0.0004","16.9601","0.0008","90","","90","","90","","2761.9","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H34 Cl2 P2 Pt -","- C29 H34 Cl2 P2 Pt -","- C116 H136 Cl8 P8 Pt4 -","4","1","","Lavery, Christopher B.; Ferguson, Michael J.; Stradiotto, Mark","Platinum-Catalyzed Alkene Cyclohydroamination: Evaluating the Utility of Bidentate P,N/P,P Ligation and Phosphine-Free Catalyst Systems","Organometallics","2010","29","22","6125","","10.1021/om1006984","","","0.71073","MoKα","","0.0223","0.0193","","","0.0428","0.0437","","","","","","1.02","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4066932","24.156","0.004","14.3086","0.0017","34.201","0.005","90","","90","","90","","11821","3","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C65.66 H189.16 O0.91 Si26 -","- C65.664 H189.16 O0.916 Si26 -","- C262.656 H756.64 O3.664 Si104 -","4","1","","Berkefeld, André; Troegel, Dennis; Burschka, Christian; Tacke, Reinhold","Synthesis and Characterization of {[Tris(trimethylsilyl)silyl]methyl}silanes of the Formula Type Me4−nSi[CH2Si(SiMe3)3]n(n= 1−3) and Derivatives","Organometallics","2010","29","20","4548","","10.1021/om100721t","","","0.71073","MoKα","","0.0548","0.0438","","","0.1061","0.1126","","","","","","1.036","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4067143","16.436","0.003","8.7758","0.0017","17.154","0.004","90","","90","","90","","2474.3","0.9","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,4,6-mesityl-DAB + 1 equiv MeLi, 15*Et2O, G2067.cif","","- C26 H37 Li N2 O -","- C26 H37 Li N2 O -","- C104 H148 Li4 N8 O4 -","4","1","","Bhadbhade, Mohan; Clentsmith, Guy K. B.; Field, Leslie D.","Sterically Hindered Diazabutadienes (DABs): Competing Reaction Pathways with MeLi","Organometallics","2010","29","23","6509","","10.1021/om100850p","","","0.71073","MoKα","","0.1641","0.0614","","","0.1414","0.195","","","","","","0.869","","","","has coordinates,has disorder","178562","2020-10-21","18:00:00",""
"4067326","18.283","0.005","13.124","0.002","16.4317","0.0014","90","","90","","90","","3942.7","1.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H58 N2 P2 Si4 Sn -","- C30 H58 N2 P2 Si4 Sn -","- C120 H232 N8 P8 Si16 Sn4 -","4","1","","Izod, Keith; Stewart, John; Clegg, William; Harrington, Ross W.","Synthesis, Structures, and Dynamic Behavior of Intramolecularly Base-Stabilized Diphosphatetrylenes Containing a Five-Membered Chelate Ring","Organometallics","2010","29","1","108","","10.1021/om900854m","","","0.71073","MoKα","","0.0539","0.035","","","0.0643","0.0699","","","","","","1.035","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067377","19.005","0.002","9.9701","0.0011","14.6711","0.0017","90","","90","","90","","2779.9","0.5","143","1","143","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H36 Cl2 N3 P Ru -","- C28 H36 Cl2 N3 P Ru -","- C112 H144 Cl8 N12 P4 Ru4 -","4","1","","Gallagher, Michelle; Wieder, Noah L.; Dioumaev, Vladimir K.; Carroll, Patrick J.; Berry, Donald H.","Low-Valent Ruthenium Complexes of the Non-innocent 2,6-Bis(imino)pyridine Ligand","Organometallics","2010","29","3","591","","10.1021/om9009075","","","0.71073","MoKα","","0.0393","0.0328","","","0.0581","0.0608","","","","","","1.084","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067485","18.963","0.004","8.4176","0.0017","15.353","0.003","90","","90","","90","","2450.7","0.9","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H12 Ge I2 N2 -","- C7 H12 Ge I2 N2 -","- C56 H96 Ge8 I16 N16 -","8","2","","Ruddy, Adam J.; Rupar, Paul A.; Bladek, Kamila J.; Allan, Christopher J.; Avery, Jessica C.; Baines, Kim M.","On the Bonding in N-Heterocyclic Carbene Complexes of Germanium(II)","Organometallics","2010","29","6","1362","","10.1021/om900977g","","x-ray","0.71073","MoKα","","0.0406","0.036","","","0.0897","0.0931","","","","","","1.051","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067731","24.391","0.005","19.863","0.004","18.147","0.004","90","","90","","90","","8792","3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H72 Si12 -","- C24 H72 Si12 -","- C192 H576 Si96 -","8","2","","Wallner, Andreas; Hlina, Johann; Konopa, Tina; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Flörke, Ulrich","Cyclic and Bicyclic Methylpolysilanes and Some Oligosilanylene-Bridged Derivatives","Organometallics","2010","29","12","2660","","10.1021/om901104h","","","0.71073","MoKα","","0.079","0.0566","","","0.1154","0.1231","","","","","","1.037","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067807","23.354","0.005","15.269","0.003","18.148","0.004","90","","90","","90","","6471","2","168","2","168","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C61 H70 Cl10 P4 Pd Rh2 -","- C61 H68 Cl10 P4 Pd Rh2 -","- C244 H272 Cl40 P16 Pd4 Rh8 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0394","","","","0.0959","","","","","","1.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067808","23.3745","0.0005","15.303","0.0004","18.1393","0.0004","90","","90","","90","","6488.4","0.3","168","2","168","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C61 H70 Cl10 Ir2 P4 Pd -","- C61 H70 Cl10 Ir2 P4 Pd -","- C244 H280 Cl40 Ir8 P16 Pd4 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0252","","","","0.0527","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067809","23.3351","0.0007","15.3353","0.0004","18.1485","0.0006","90","","90","","90","","6494.5","0.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C61 H70 Cl10 Ir P4 Pd Rh -","- C61 H68 Cl10 Ir P4 Pd Rh -","- C244 H272 Cl40 Ir4 P16 Pd4 Rh4 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0302","","","","0.075","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068035","15.4669","0.0004","9.5163","0.0003","20.2315","0.0012","90","","90","","90","","2977.8","0.2","130","2","130","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","[(dippe)Ni(η2-Cα,Cβ-dibenzylideneacetone)]","","- C31 H46 Ni O P2 -","- C31 H46 Ni O P2 -","- C124 H184 Ni4 O4 P8 -","4","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J.","Nickel-Catalyzed Alkylation and Transfer Hydrogenation of α,β-Unsaturated Enones with Methanol","Organometallics","2012","31","2","680","","10.1021/om2010222","","x-ray","0.71073","MoKα","","0.0338","0.0279","","","0.0592","0.0602","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068230","17.9194","0.0013","8.1817","0.0006","7.9629","0.0006","90","","90","","90","","1167.45","0.15","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H12 Au Br N2 -","- C11 H12 Au Br N2 -","- C44 H48 Au4 Br4 N8 -","4","1","","Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh","Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation","Organometallics","2012","31","3","1195","","10.1021/om201268m","","","0.71073","MoKα","","0.0466","0.0411","","","0.0874","0.0901","","","","","","1.105","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068290","26.721","0.006","15.842","0.005","19.271","0.006","90","","90","","90","","8158","4","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C87 H85 B F20 N2 O Si Th -","- C87 H85 B F20 N2 O Si Th -","- C348 H340 B4 F80 N8 O4 Si4 Th4 -","4","1","","Cruz, Carlos A.; Emslie, David J. H.; Robertson, Craig M.; Harrington, Laura E.; Jenkins, Hilary A.; Britten, James F.","Cationic Thorium Alkyl Complexes of Rigid NON- and NNN-Donor Ligands: π-Arene Coordination as a Persistent Structural Motif","Organometallics","2009","28","6","1891","","10.1021/om800624t","","","0.71073","MoKα","","0.0674","0.0313","","","0.0572","0.0673","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4068387","16.2351","0.0002","10.6516","0.0004","19.0486","0.0002","90","","90","","90","","3294.07","0.13","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H41 I N4 P3 Rh -","- C31 H41 I N4 P3 Rh -","- C124 H164 I4 N16 P12 Rh4 -","4","1","","Kossoy, Elizaveta; Rybtchinski, Boris; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Milstein, David","Structure and Reactivity of Rhodium(I) Complexes Based on Electron-Withdrawing Pyrrolyl-PCP-Pincer Ligands","Organometallics","2009","28","2","523","","10.1021/om800792y","","","0.71073","MoKα","","0.046","0.0322","","","0.0708","0.0758","","","","","","1.078","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068844","12.2219","0.00015","12.6523","0.0002","11.3324","0.00015","90","","90","","90","","1752.39","0.04","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","kag-4-226","kag-4-226","","- C16 H30 N O2 P Pt -","- C16 H30 N O2 P Pt -","- C64 H120 N4 O8 P4 Pt4 -","4","1","","Grice, Kyle A.; Goldberg, Karen I.","Insertion of Dioxygen into a Platinum(II)−Methyl Bond To Form a Platinum(II) Methylperoxo Complex","Organometallics","2009","28","4","953","","10.1021/om8011272","","","0.71073","MoKα","","0.0396","0.0358","","","0.1034","0.1067","","","","","","1.169","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068992","18.935","0.003","17.017","0.002","21.658","0.003","90","","90","","90","","6978.6","1.7","160","2","160","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26 H60 Cl N3 P2 Si Ti -","- C26 H60 Cl N3 P2 Si Ti -","- C208 H480 Cl8 N24 P16 Si8 Ti8 -","8","2","","Chomitz, Wayne A.; Sutton, Andrew D.; Krinsky, Jamin L.; Arnold, John","Synthesis and Reactivity of Titanium and Zirconium Complexes Supported by a Multidentate Monoanionic [N2P2] Ligand","Organometallics","2009","28","12","3338","","10.1021/om8011932","","","0.71073","MoKα","","0.0643","0.0435","","","0.0945","0.1035","","","","","","0.985","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069128","15.316","0.003","9.584","0.0016","35.276","0.006","90","","90","","90","","5178.1","1.6","122","1","122","1","","","","","","","","6","P c a 21","P 2c -2ac","29","4b","","","- C47 H69 Cl7 N2 O Pd2 -","- C47 H69 Cl7 N2 O Pd2 -","- C188 H276 Cl28 N8 O4 Pd8 -","4","1","","Ohno, Kouji; Arima, Kenji; Tanaka, Shinji; Yamagata, Tsuneaki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Characterization of Proximal Dinuclear Complexes of Palladium Supported by 2,6-Bis(arylimino)phenoxy (aryl = 2,6-diisopropylphenyl and 2,4,6-tri-tert-butylphenyl) and 3,6-Bis(imino(2,6-diisopropylphenyl))pyridazine Ligands","Organometallics","2009","28","11","3256","","10.1021/om900043u","","","0.71075","MoKα","","0.075","0.0554","","","0.1167","0.1258","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069176","23.069","0.005","8.306","0.005","18.064","0.005","90","0.005","90","0.005","90","0.005","3461","2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H32 Co N5 O4 S4 -","- C35 H32 Co N5 O4 S4 -","- C140 H128 Co4 N20 O16 S16 -","4","1","","Dutta, Gargi; Kumar, Kamlesh; Gupta, B. D.","Cobaloximes with Bis(thiophenyl)glyoxime: Synthesis and Structure−Property Relationship Study","Organometallics","2009","28","12","3485","","10.1021/om900065k","","","0.71069","MoKα","","0.081","0.0623","","","0.152","0.1835","","","","","","1.195","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069269","17.881","0.004","13.857","0.003","22.402","0.005","90","","90","","90","","5551","2","100","0.1","100","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","jonmg18","[Cp*IrCl]2(mu-H)(mu-S-3hexyl-2-one), 8","","- C26 H42 Cl2 Ir2 O S -","- C26 H41 Cl2 Ir2 O S -","- C208 H328 Cl16 Ir16 O8 S8 -","8","2","","Grochowski, Matthew R.; Brennessel, William W.; Jones, William D.","Carbon−Sulfur Bond Cleavage of Methyl-Substituted Thiophenes with Iridium(III)","Organometallics","2009","28","9","2661","","10.1021/om900114m","","","0.71073","MoKα","","0.0589","0.037","","","0.0675","0.0762","","","","","","1.04","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069368","14.3292","0.0012","15.3241","0.0012","17.9615","0.0014","90","","90","","90","","3944","0.5","143","2","143","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H34 As Cl N4 O15 Pt -","- C36 H34 As Cl N4 O15 Pt -","- C144 H136 As4 Cl4 N16 O60 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.; Bautista, Delia","Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes","Organometallics","2009","28","12","3501","","10.1021/om9001582","","","0.71073","MoKα","","0.0444","0.0251","","","0.0429","0.0466","","","","","","0.921","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069464","17.1588","0.0001","14.1784","0.0002","26.8028","0.0003","90","","90","","90","","6520.7","0.12","150","2","150","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C35 H36 Cl Fe N2 O3 P Pd -","- C35 H36 Cl Fe N2 O3 P Pd -","- C280 H288 Cl8 Fe8 N16 O24 P8 Pd8 -","8","2","","Tauchman, Jiří; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocenyl Carboxamides Bearing Glycine Pendant Groups: Synthesis, Palladium(II) Complexes, and Catalytic Use in Polar and Aqueous Reaction Media","Organometallics","2009","28","11","3288","","10.1021/om900209j","","","0.71073","MoKα","","0.0412","0.0306","","","0.064","0.0688","","","","","","1.037","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4069549","20.2199","0.0004","17.5722","0.0004","16.9145","0.0004","90","","90","","90","","6009.9","0.2","173","1","173","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H27 Cl4 P Pd -","- C34 H27 Cl4 P Pd -","- C272 H216 Cl32 P8 Pd8 -","8","2","","Taubmann, Christian; Öfele, Karl; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Complexation of (5H)-Dibenzo[a,d]cyclohepten-5-ylidene to Palladium(II) via the Diazo Route and Evidence of C−H···Pd Interactions","Organometallics","2009","28","15","4254","","10.1021/om900266z","","","1.5418","CuKα","","0.0434","0.0369","","","0.091","0.0949","","","","","","1.029","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069763","14.469","0.003","10.019","0.002","14.071","0.003","90","","90","","90","","2039.8","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H27 Br2 N3 Ni -","- C18 H27 Br2 N3 Ni -","- C72 H108 Br8 N12 Ni4 -","4","1","","Huang, Yi-Ping; Tsai, Chung-Chih; Shih, Wei-Chih; Chang, Yu-Chang; Lin, Shen-Ta; Yap, Glenn P. A.; Chao, Ito; Ong, Tiow-Gan","Kinetic and Thermodynamic Study ofSyn−AntiIsomerization of Nickel Complexes Bearing Amino-Linked N-Heterocyclic Carbene Ligands: The Effect of the Pendant Arm of the NHC","Organometallics","2009","28","15","4316","","10.1021/om900404c","","","0.71073","MoKα","","0.0553","0.0369","","","0.0542","0.0587","","","","","","0.984","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4069829","15.6895","0.0012","5.9404","0.0005","22.0284","0.0016","90","","90","","90","","2053.1","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 Fe O3 P2 -","- C22 H19.9 Fe O3 P2 -","- C88 H79.6 Fe4 O12 P8 -","4","1","","Jung, Lin-Ying; Tsai, Shih-Hung; Hong, Fung-E","Application of Tautomerism of Ferrocenyl Secondary Phosphine Oxides in Suzuki−Miyaura Cross-Coupling Reactions","Organometallics","2009","28","20","6044","","10.1021/om900435y","","","0.71073","MoKα","","0.0585","0.0436","","","0.11","0.1201","","","","","","1.104","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4069961","17.0654","0.0007","17.988","0.0007","28.0172","0.0012","90","","90","","90","","8600.5","0.6","123","2","123","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C92 H100 B18 Hf2 N2 P4 -","- C92 H100 B18 Hf2 N2 P4 -","- C368 H400 B72 Hf8 N8 P16 -","4","1","","Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei","Metallacarboranes Incorporating anarachno-η6-C2B9Ligand","Organometallics","2009","28","20","5998","","10.1021/om900537j","","","0.71073","MoKα","","0.0515","0.036","","","0.0679","0.0735","","","","","","1.005","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4069982","15.3144","0.0003","14.2173","0.0002","12.2837","0.0002","90","","90","","90","","2674.52","0.08","233","2","233","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H29 Br2 N O Ru -","- C30 H29 Br2 N O Ru -","- C120 H116 Br8 N4 O4 Ru4 -","4","1","","Enk, Barbara; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Bildstein, Benno","An Efficient, Modular Route to New 2-Acyl-6-aminopentafulvenes and Planar-Chiral [N,O]-Functionalized Pentamethylruthenocenes","Organometallics","2009","28","18","5575","","10.1021/om900549c","","","0.71073","MoKα","","0.032","0.029","","","0.0678","0.0692","","","","","","1.023","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4070011","11.4336","0.001","15.3744","0.0013","26.225","0.002","90","","90","","90","","4610","0.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H37 Ir O P2 -","- C22 H37 Ir O P2 -","- C176 H296 Ir8 O8 P16 -","8","2","","Kundu, Sabuj; Choliy, Yuriy; Zhuo, Gao; Ahuja, Ritu; Emge, Thomas J.; Warmuth, Ralf; Brookhart, Maurice; Krogh-Jespersen, Karsten; Goldman, Alan S.","Rational Design and Synthesis of Highly Active Pincer-Iridium Catalysts for Alkane Dehydrogenation","Organometallics","2009","28","18","5432","5444","10.1021/om900568f","","","0.71073","MoKα","","0.0793","0.0586","","","0.1769","0.1922","","","","","","1.001","","","","has coordinates","209858","2020-10-21","18:00:00",""
"4070252","9.903","0.005","27.514","0.005","17.963","0.005","90","0.005","90","0.005","90","0.005","4894","3","100","2","100","2","","","","","","","synthesis as described","6","P c a 21","P 2c -2ac","29","","","","- C24 H35 Mo2 N2 O3 P -","- C24 H35 Mo2 N2 O3 P -","- C192 H280 Mo16 N16 O24 P8 -","8","2","","Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.","Migration and Insertion Processes in the Reactions of the Hydrocarbyl-Bridged Unsaturated Complexes [Mo2(η5-C5H5)2(μ-R)(μ-PCy2)(CO)2] (R = Me, CH2Ph, Ph) with CO and NO","Organometallics","2009","28","21","6293","","10.1021/om9006856","","x-ray","1.54184","CuKα","","0.0403","0.0372","","","0.0958","0.0979","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070364","14.1289","0.0016","8.1779","0.0009","15.6805","0.0018","90","","90","","90","","1811.8","0.4","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H24 Co F6 P -","- C16 H24 Co F6 P -","- C64 H96 Co4 F24 P4 -","4","1","","Ylijoki, Kai E. O.; Witherell, Ross D.; Kirk, Andrew D.; Böcklein, Sebastian; Lofstrand, Verner A.; McDonald, Robert; Ferguson, Michael J.; Stryker, Jeffrey M.","Synthesis, Structure, and Reactivity of Alkyl-Substituted Half-Sandwich η5-Pentadienyl Complexes of Cobalt","Organometallics","2009","28","23","6807","","10.1021/om900754h","","","0.71073","MoKα","","0.0718","0.0437","","","0.0918","0.1025","","","","","","1.048","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070407","14.3818","0.001","15.252","0.001","25.8696","0.0019","90","","90","","90","","5674.5","0.7","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H34 Cl Cr N2 -","- C28 H34 Cl Cr N2 -","- C224 H272 Cl8 Cr8 N16 -","8","2","","MacLeod, K. Cory; Conway, Julia L.; Tang, Liming; Smith, Joshua J.; Corcoran, Liam D.; Ballem, Katherine H. D.; Patrick, Brian O.; Smith, Kevin M.","Reactivity Consequences of Steric Reduction in Cyclopentadienyl Chromium β-Diketiminate Complexes","Organometallics","2009","28","23","6798","","10.1021/om900788c","","","0.71073","MoKα","","0.0538","0.0378","","","0.0844","0.0898","","","","","","0.998","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070806","26.785","0.013","11.49","0.006","37.643","0.018","90","","90","","90","","11585","10","173","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C99 H141 B30 Co3 N6 S9 -","- C99 H141 B30 Co3 N6 S9 -","- C396 H564 B120 Co12 N24 S36 -","4","1","","Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands","Organometallics","2008","27","6","1112","","10.1021/om701031w","","","0.71073","MoKα","","0.1222","0.0746","","","0.1385","0.1543","","","","","","1.045","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070807","26.785","0.013","11.49","0.006","37.643","0.018","90","","90","","90","","11585","10","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C99 H141 B30 Co3 N6 S9 -","- C99 H141 B30 Co3 N6 S9 -","- C396 H564 B120 Co12 N24 S36 -","4","1","","Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands","Organometallics","2008","27","6","1112","","10.1021/om701031w","","","0.71073","MoKα","","0.0922","0.0646","","","0.1275","0.1379","","","","","","1.058","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4071047","16.1548","0.0001","9.2541","0.0001","22.0546","0.0002","90","","90","","90","","3297.12","0.05","293","2","293","2","","","","","","","synthesis","6","P c a 21","P 2c -2ac","29","","","","- C37 H32 N O3 P3 S -","- C37 H32 N O3 P3 S -","- C148 H128 N4 O12 P12 S4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José","(η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond","Organometallics","2008","27","8","1809","","10.1021/om701228a","","","1.5418","CuKα","","0.0334","0.0322","","","0.0842","0.0852","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4072052","16.4646","0.0009","10.5009","0.0006","14.7315","0.0008","90","","90","","90","","2547","0.2","100","1","100","1","","","","","","","see text","3","P c a 21","P 2c -2ac","29","","","","- C29 H37 Y -","- C29 H37 Y -","- C116 H148 Y4 -","4","1","","Quiroga Norambuena, Victor F.; Heeres, André; Heeres, Hero J.; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart","Synthesis, Structure, and Reactivity of Rare-Earth Metallocene η3-Propargyl/Allenyl Complexes","Organometallics","2008","27","21","5672","","10.1021/om800547n","","","0.71073","MoKα","","0.0417","0.0297","","","0.0637","0.0685","","","","","","1.03","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072083","27.9147","0.0005","16.5133","0.0003","15.2219","0.0002","90","","90","","90","","7016.7","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H28 N2 O11 Os4 -","- C32 H28 N2 O11 Os4 -","- C256 H224 N16 O88 Os32 -","8","2","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0839","0.0478","","","0.0902","0.1011","","","","","","0.969","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072123","18.4915","0.0002","6.7105","0.0003","10.2849","0.0005","90","","90","","90","","1276.22","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P c a 21","P 2c -2ac","29","","","","- C5 H20 B9 N S -","- C5 H20 B9 N S -","- C20 H80 B36 N4 S4 -","4","1","","Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R.","Iron and Cobalt Complexes with Thiacarborane Ligands","Organometallics","2008","27","20","5273","","10.1021/om800601u","","","0.71073","MoKα","","0.0342","0.0321","","","0.0787","0.0801","","","","","","1.143","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072176","16.7029","0.0008","7.4094","0.0004","19.8847","0.0009","90","","90","","90","","2460.9","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H17 B10 N O -","- C6 H17 B10 N O -","- C48 H136 B80 N8 O8 -","8","2","","Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P.","Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom","Organometallics","2008","27","22","5937","","10.1021/om800635d","","","0.71073","MoKα","","0.0365","0.0343","","","0.0935","0.0956","","","","","","1.039","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072232","19.3155","0.0002","12.015","0.0003","28.9179","0.0005","90","","90","","90","","6711.1","0.2","150","2","150","2","","","","","","","synthesized by the authors","4","P c a 21","P 2c -2ac","29","","","","- C32 H53 Si3 Ti -","- C32 H53 Si3 Ti -","- C256 H424 Si24 Ti8 -","8","2","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0348","0.0307","","","0.0752","0.0785","","","","","","1.037","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072346","17.316","0.0004","9.1221","0.0003","17.9321","0.0006","90","","90","","90","","2832.52","0.15","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H53 Li2 N7 Zn -","- C19 H53 Li2 N7 Zn -","- C76 H212 Li8 N28 Zn4 -","4","1","","Armstrong, David R.; Dougan, Christine; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Synthesis and Structural Elucidation of Alkyl, Amido, and Mixed Alkyl−Amido “Highly-Coordinated” Zincates","Organometallics","2008","27","23","6063","","10.1021/om800786n","","","0.71073","MoKα","","0.0903","0.0453","","","0.0723","0.0842","","","","","","1.01","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072541","19.0405","0.0005","7.5017","0.0001","23.3594","0.0006","90","","90","","90","","3336.57","0.13","150","1","150","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H16 Fe Si -","- C21 H16 Fe Si -","- C168 H128 Fe8 Si8 -","8","2","","Chan, Wing Yan; Lough, Alan J.; Manners, Ian","Synthesis, Characterization, and Photocontrolled Ring-Opening Polymerization of Sila[1]ferrocenophanes with Multiple Alkyne Substituents","Organometallics","2007","26","5","1217","","10.1021/om060767l","","","0.71073","MoKα","","0.0591","0.0384","","","0.0805","0.0895","","","","","","1.017","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072604","25.2284","0.0006","5.8708","0.0002","16.3026","0.0005","90","","90","","90","","2414.59","0.12","90","2","90","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Pyrrole-2-N-(o-oxyphenyl)-carbaldiminato-silacyclobutane","","- C14 H14 N2 O Si -","- C14 H14 N2 O Si -","- C112 H112 N16 O8 Si8 -","8","2","","Gerlach, Daniela; Brendler, Erica; Heine, Thomas; Wagler, Jörg","Dianion of Pyrrole-2-N-(o-hydroxyphenyl)carbaldimine as an Interesting Tridentate (ONN) Ligand System in Hypercoordinate Silicon Complexes","Organometallics","2007","26","1","234","","10.1021/om060869b","","","0.71073","MoKα","","0.0479","0.0378","","","0.0983","0.1029","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072912","18.972","0.0018","23.084","0.003","18.993","0.002","90","","90","","90","","8318","1.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C78 H117 Ce3 N6 -","- C78 H117 Ce3 N6 -","- C312 H468 Ce12 N24 -","4","1","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Cyanide Metallocenes of Trivalent f-Elements","Organometallics","2007","26","10","2623","2629","10.1021/om061131x","","","0.71073","MoKα","","0.1675","0.0714","","","0.1362","0.1547","","","","","","0.893","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072941","21.409","0.002","24.581","0.003","15.7085","0.0017","90","","90","","90","","8266.7","1.6","153","2","153","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C44 H25 B Bi F20 N O -","- C44 H25 B Bi F20 N O -","- C352 H200 B8 Bi8 F160 N8 O8 -","8","2","","Bao, Ming; Hayashi, Teruyuki; Shimada, Shigeru","Cationic Organobismuth Complex with 5,6,7,12-Tetrahydrodibenz[c,f][1,5]azabismocine Framework and Its Coordination Complexes with Neutral Molecules","Organometallics","2007","26","7","1816","","10.1021/om0611453","","","0.71069","MoKα","","","0.0441","","","","0.1058","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073049","15.9723","0.0005","9.3175","0.0003","19.8226","0.0006","90","","90","","90","","2950.04","0.16","223","2","223","2","","","","","","","","7","P c a 21","P 2c -2ac","29","Platinum ethylene pi-complex","Platinum ethylene pi-complex","","- C13 H13 Cl N2 O3 Pt S -","- C13 H13 Cl N2 O3 Pt S -","- C104 H104 Cl8 N16 O24 Pt8 S8 -","8","2","","Khusnutdinova, Julia R.; Zavalij, Peter Y.; Vedernikov, Andrei N.","Facile Aerobic Oxidation of dpms−Platinum(II) Ethylene Complexes (dpms = di(2-pyridyl)methanesulfonate)","Organometallics","2007","26","9","2402","","10.1021/om070033o","","","0.71073","MoKα","","0.0347","0.0311","","","0.0655","0.0667","","","","","","1","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073229","11.1938","0.0015","13.9491","0.0019","10.5219","0.0014","90","","90","","90","","1642.9","0.4","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H24 N2 -","- C19 H24 N2 -","- C76 H96 N8 -","4","1","","Bazinet, Patrick; Ong, Tiow-Gan; O'Brien, Julie S.; Lavoie, Nathalie; Bell, Eleanor; Yap, Glenn P. A.; Korobkov, Ilia; Richeson, Darrin S.","Design of Sterically Demanding, Electron-Rich Carbene Ligands with the Perimidine Scaffold","Organometallics","2007","26","11","2885","","10.1021/om0701827","","","0.71073","MoKα","","0.0562","0.0371","","","0.0828","0.0916","","","","","","1.04","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4073311","8.5537","0.0011","16.863","0.002","10.0178","0.0013","90","","90","","90","","1445","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H20 N2 -","- C15 H20 N2 -","- C60 H80 N8 -","4","1","","Zhou, Shuangliu; Wang, Shaowu; Yang, Gaosheng; Li, Qinghai; Zhang, Lijun; Yao, Zijian; Zhou, Zhangkai; Song, Hai-bin","Synthesis, Structure, and Diverse Catalytic Activities of [Ethylenebis(indenyl)]lanthanide(III) Amides on N−H and C−H Addition to Carbodiimides andɛ-Caprolactone Polymerization","Organometallics","2007","26","15","3755","","10.1021/om070234s","","","0.71073","MoKα","","0.0738","0.0477","","","0.1273","0.1465","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4073328","17.021","0.002","16.803","0.002","7.9054","0.0011","90","","90","","90","","2261","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl3 Ga N2 -","- C21 H24 Cl3 Ga N2 -","- C84 H96 Cl12 Ga4 N8 -","4","1","","Marion, Nicolas; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Stevens, Edwin D.; Fensterbank, Louis; Malacria, Max; Nolan, Steven P.","Synthesis, Characterization, and Structure of [GaCl3(NHC)] Complexes","Organometallics","2007","26","13","3256","","10.1021/om070241g","","","0.71073","MoKα","","0.0655","0.0473","","","0.1116","0.1193","","","","","","1.05","","","","has coordinates,has disorder","178622","2020-10-21","18:00:00",""
"4073718","17.87","0.0002","13.418","0.0002","11.379","0.0002","90","","90","","90","","2728.45","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H31 Cl5 O2 Sn -","- C23 H31 Cl5 O2 Sn -","- C92 H124 Cl20 O8 Sn4 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥","Organometallics","2007","26","25","6312","","10.1021/om700576n","","","0.7107","MoKα","","0.0319","0.0278","","","0.0693","0.0714","","","","","","1.049","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073728","39.9056","0.0013","9.3888","0.0003","19.4839","0.0006","90","","90","","90","","7299.9","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H53 Al2 N3 Si3 -","- C32 H53 Al2 N3 Si3 -","- C256 H424 Al16 N24 Si24 -","8","2","","Zhu, Hongping; Chen, Eugene Y.-X.","Group 13 and Lanthanide Complexes Supported by Tridentate Tripodal Triamine Ligands: Structural Diversity and Polymerization Catalysis","Organometallics","2007","26","22","5395","","10.1021/om700587w","","","0.71073","MoKα","","0.0837","0.0508","","","0.0984","0.1113","","","","","","0.997","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073811","26.628","0.004","11.321","0.0016","20.637","0.003","90","","90","","90","","6221.1","1.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H12 Fe O4 -","- C18 H12 Fe O4 -","- C288 H192 Fe16 O64 -","16","4","","Moulton, Benjamin E.; Duhme-Klair, Anne K.; Fairlamb, Ian J. S.; Lynam, Jason M.; Whitwood, Adrian C.","A Rationale for the Linear Correlation of Aryl Substituent Effects in Iron(0) Tricarbonyl Complexes Containing α,β-Unsaturated Enone (Chalcone) Ligands","Organometallics","2007","26","25","6354","","10.1021/om7006425","","","0.71073","MoKα","","0.0351","0.0307","","","0.072","0.0741","","","","","","1.036","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073927","27.9147","0.0005","16.5133","0.0003","15.2219","0.0002","90","","90","","90","","7016.7","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H28 N2 O11 Os4 -","- C32 H28 N2 O11 Os4 -","- C256 H224 N16 O88 Os32 -","8","2","","Cooke, Craig E.; Jennings, Michael C.; Pomeroy, Roland K.; Clyburne, Jason A. C.","Normal and Abnormal NHC Coordination in [Os4(μ-H)4(CO)11(IMes)] and Exhaustive Dehydrogenation of an IMes Methyl Group","Organometallics","2007","26","25","6059","","10.1021/om7007293","","","0.71073","MoKα","","0.0839","0.0478","","","0.0902","0.1011","","","","","","0.969","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074015","17.598","0.0009","17.1666","0.0008","10.4896","0.0005","90","","90","","90","","3168.9","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C37 H40 N6 -","- C37 H40 N6 -","- C148 H160 N24 -","4","1","","Rodríguez, Pilar; Álvarez, Eleuterio; Nicasio, M. Carmen; Pérez, Pedro J.","Catalytic Carbon−Hydrogen Bond Functionalization in an Ionic Liquid Medium","Organometallics","2007","26","26","6661","","10.1021/om700822a","","","0.71073","MoKα","","0.0606","0.0369","","","0.0771","0.0881","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074143","18.2222","0.0011","9.7499","0.0006","15.4929","0.001","90","","90","","90","","2752.5","0.3","153","2","153","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C22 H31 B Br N8 O P W -","- C22 H31 B Br N8 O P W -","- C88 H124 B4 Br4 N32 O4 P4 W4 -","4","1","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0513","0.037","","","0.0748","0.0779","","","","","","0.937","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074211","33.1655","0.0009","15.3277","0.0004","14.0994","0.0004","90","","90","","90","","7167.4","0.3","90","0.2","90","0.2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H34 Cl N2 P2 Ru -","- C21 H34 Cl N2 P2 Ru -","- C252 H408 Cl12 N24 P24 Ru12 -","12","3","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","1.54178","CuKα","","0.0705","0.0617","","","0.1451","0.1508","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074771","19.576","0.0016","12.9958","0.0017","18.3713","0.0016","90","","90","","90","","4673.8","0.8","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H50 Cl P2 Rh Ru S2 -","- C52 H50 Cl P2 Rh Ru S2 -","- C208 H200 Cl4 P8 Rh4 Ru4 S8 -","4","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0771","0.0498","","","0.1063","0.117","","","","","","1.024","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074902","16.0265","0.0017","21.295","0.002","22.041","0.002","90","","90","","90","","7522.2","1.3","113.1","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H38 B2 O5 P2 Pt -","- C42 H38 B2 O5 P2 Pt -","- C336 H304 B16 O40 P16 Pt8 -","8","2","","Pantcheva, Ivayla; Osakada, Kohtaro","Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid","Organometallics","2006","25","7","1735","","10.1021/om0509903","","","0.7107","MoKα","","","0.03","","","","0.0892","","","","","","0.837","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074990","7.4452","0.001","10.9266","0.0015","12.0699","0.0016","90","","90","","90","","981.9","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H10 Cl N -","- C12 H10 Cl N -","- C48 H40 Cl4 N4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0609","0.0418","","","0.1059","0.1149","","","","","","1.043","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4075248","21.283","0.007","16.692","0.005","17.63","0.006","90","","90","","90","","6263","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H18 N2 O11 Ru6 -","- C27 H18 N2 O11 Ru6 -","- C216 H144 N16 O88 Ru48 -","8","2","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0372","0.0309","","","0.064","0.0687","","","","","","1.141","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075281","18.892","0.0006","9.2032","0.0003","10.5612","0.0003","90","","90","","90","","1836.24","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H27 Cl Ni O P2 -","- C15 H27 Cl Ni O P2 -","- C60 H108 Cl4 Ni4 O4 P8 -","4","1","","Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio","Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands†","Organometallics","2006","25","13","3124","","10.1021/om060183j","","","0.71073","MoKα","","0.0489","0.0455","","","0.1067","0.1084","","","","","","1.106","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075476","24.633","0.005","11.588","0.003","15.585","0.004","90","","90","","90","","4448.7","1.9","223","2","223","2","","","","","","","","7","P c a 21","P 2c -2ac","29","compound 2.2CH2Cl2","","","- C47 H45 Cl6 Fe N P2 Ru -","- C47 H45 Cl6 Fe N P2 Ru -","- C188 H180 Cl24 Fe4 N4 P8 Ru4 -","4","1","","Carrión, M. Carmen; García-Vaquero, Ernesto; Jalón, Félix A.; Manzano, Blanca R.; Weissensteiner, Walter; Mereiter, Kurt","Formation of Fischer-Type Aminocarbenes by a Double C−H Bond Activation of a Methylamino Group⊥","Organometallics","2006","25","19","4498","","10.1021/om060314g","","","0.71073","MoKα","","0.0418","0.0314","","","0.0761","0.0802","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075583","16.2946","0.0008","13.4907","0.0006","16.0487","0.0007","90","","90","","90","","3527.9","0.3","300","2","300","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H43 Mo2 N3 O S2 -","- C35 H43 Mo2 N3 O S2 -","- C140 H172 Mo8 N12 O4 S8 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0626","0.0427","","","0.0917","0.0988","","","","","","0.952","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075653","15.57","0.001","9.219","0.001","20.365","0.001","90","","90","","90","","2923.2","0.4","150","0.1","150","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C116 H108 F12 O12 P8 Pd4 S8 -","- C116 H108 F12 O12 P8 Pd4 S8 -","- C116 H108 F12 O12 P8 Pd4 S8 -","1","0.25","","Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal","Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines","Organometallics","2005","24","6","1204","","10.1021/om0490278","","","0.71069","MoKα","","0.0428","0.0332","","","0.08","0.085","","","","","","1.012","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075802","18.726","0.003","8.0215","0.0013","15.525","0.003","90","","90","","90","","2332","0.7","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","7","Cyclohexyl-bis[N-(dimethylamino)trifluoroacetimidato-N,O]siliconium triflate","","- C15 H23 F9 N4 O5 S Si -","- C15 H23 F9 N4 O5 S Si -","- C60 H92 F36 N16 O20 S4 Si4 -","4","1","","Gostevskii, Boris; Silbert, Gilad; Adear, Keren; Sivaramakrishna, Akella; Stalke, Dietmar; Deuerlein, Stephan; Kocher, Nikolaus; Voronkov, Mikhail G.; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 9. Two Dissociation Patterns of Hexacoordinate Silicon Complexes: A Model Nucleophilic Substitution at Pentacoordinate Silicon1","Organometallics","2005","24","12","2913","","10.1021/om0500568","","","0.71073","MoKα","","0.0315","0.0307","","","0.0767","0.0772","","","","","","1.085","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075986","23.224","0.003","10.7711","0.0012","16.0211","0.0017","90","","90","","90","","4007.6","0.8","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H56 N2 P2 Zn -","- C45 H56 N2 P2 Zn -","- C180 H224 N8 P8 Zn4 -","4","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2","Organometallics","2005","24","22","5287","","10.1021/om050401t","","","0.71073","MoKα","","0.0863","0.0627","","","0.1507","0.1606","","","","","","1.028","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4076055","25.1849","0.0004","16.6927","0.0003","18.816","0.0004","90","","90","","90","","7910.3","0.3","120","1","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C44 H44 F6 Fe P3 -","- C44 H44 F6 Fe P3 -","- C352 H352 F48 Fe8 P24 -","8","2","","Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations","Organometallics","2005","24","22","5464","5478","10.1021/om0505108","","","0.71069","MoKα","","0.0993","0.0713","","","0.1687","0.1921","","","","","","1.073","","","","has coordinates","209822","2020-10-21","18:00:00",""
"4076076","11.1551","0.001","9.0352","0.0008","43.602","0.004","90","","90","","90","","4394.6","0.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4b","","","- C23 H28 N4 O2 Si -","- C23 H28 N4 O2 Si -","- C184 H224 N32 O16 Si8 -","8","2","","Gostevskii, Boris; Kalikhman, Inna; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Hexacoordinate Complexes of Silacyclobutane: Spontaneous Ring Opening and Rearrangement","Organometallics","2005","24","24","5786","","10.1021/om0505559","","","0.71073","MoKα","","0.088","0.0716","","","0.1413","0.1473","","","","","","1.165","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076100","18.28","0.001","8.406","0.001","9.45","0.001","90","","90","","90","","1452.1","0.2","198","2","198","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H15 Cl2 N O Ti -","- C14 H15 Cl2 N O Ti -","- C56 H60 Cl8 N4 O4 Ti4 -","4","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0342","0.0311","","","0.0772","0.0788","","","","","","1.034","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076133","14.9751","0.0013","15.533","0.0015","14.5233","0.0015","90","","90","","90","","3378.2","0.6","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H43 Fe Ga I3 N O2 -","- C28 H43 Fe Ga I3 N O2 -","- C112 H172 Fe4 Ga4 I12 N4 O8 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0423","0.0339","","","0.0662","0.0696","","","","","","1.021","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076303","17.775","0.005","12.451","0.005","17.726","0.005","90","","90","","90","","3923","2","153","2","153","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","PdC60Me5allyl","","- C69 H20 Pd S2 -","- C69 H20 Pd S2 -","- C276 H80 Pd4 S8 -","4","1","","Kuninobu, Yoichiro; Matsuo, Yutaka; Toganoh, Motoki; Sawamura, Masaya; Nakamura, Eiichi","Nickel, Palladium, and Platinum Complexes of η5-Cyclopentadienide C60R5Ligands. Kinetic and Thermodynamic Stabilization Effects of the C60Ph5Ligand","Organometallics","2004","23","13","3259","","10.1021/om0499153","","x-ray","0.71069","MoKα","","0.0693","0.0683","","","0.1905","0.1924","","","","","","1.071","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076318","11.8926","0.0004","19.5888","0.0006","7.6155","0.0003","90","","90","","90","","1774.12","0.11","173","2","173","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Melikyan, Gagik G.; Rivas, Bianca; Harutyunyan, Stepan; Carlson, Louis; Sepanian, Ruth","Cobaltocene-Induced Low-Temperature Radical Coupling Reactions in a Cobalt‒Alkyne Series","Organometallics","2012","31","5","1653","","10.1021/om2006497","","","1.54178","CuKα","","0.058","0.0419","","","0.0867","0.0929","","","","","","1.03","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076379","18.8272","0.0015","16.3686","0.0013","15.3104","0.0013","90","","90","","90","","4718.3","0.7","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C16 H33 Co F3 N O4 P2 S -","- C16 H33 Co F3 N O4 P2 S -","- C128 H264 Co8 F24 N8 O32 P16 S8 -","8","2","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)","Organometallics","2012","31","6","2219","","10.1021/om2011326","","","0.71073","MoKα","","0.0666","0.0616","","","0.164","0.1705","","","","","","1.029","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076384","21.703","0.007","12.238","0.004","19.483","0.007","90","","90","","90","","5175","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H66 B20 N4 Ni -","- C30 H66 B20 N4 Ni -","- C120 H264 B80 N16 Ni4 -","4","1","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.0973","0.0594","","","0.1461","0.1556","","","","","","0.882","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076827","20.101","0.004","10.857","0.003","17.249","0.004","90","","90","","90","","3764.4","1.6","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[RuCp(eta4-CH(C6H9)CHC(C6H9)CH-PCy2(eta1-C6H10))]PF6","","","- C39 H58 F6 P2 Ru -","- C39 H58 F6 P2 Ru -","- C156 H232 F24 P8 Ru4 -","4","1","","Rüba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro","Reactions of RuCp and RuCp* Allyl Carbene Complexes: Products Derived from Activation of Phenyl, Cyclohexyl, and Methyl C−H Bonds in PPh3, PCy3, and Cp* Ligands","Organometallics","2002","21","14","2912","","10.1021/om020094g","","","0.71073","MoKα","","0.0373","0.0278","","","0.0671","0.0713","","","","","","1.021","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076974","17.87","0.0002","13.418","0.0002","11.379","0.0002","90","","90","","90","","2728.45","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H31 Cl5 O2 Sn -","- C23 H31 Cl5 O2 Sn -","- C92 H124 Cl20 O8 Sn4 -","4","1","","Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands","Organometallics","2002","21","19","3996","","10.1021/om020361i","","","0.7107","MoKα","","0.0319","0.0278","","","0.0693","0.0714","","","","","","1.049","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4077164","25.2027","0.0015","13.9213","0.0008","11.4686","0.0007","90","","90","","90","","4023.8","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H54 B10 Na2 O4 -","- C32 H54 B10 Na2 O4 -","- C128 H216 B40 Na8 O16 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1181","0.0704","","","0.1726","0.1986","","","","","","0.93","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077242","21.034","0.002","20.06","0.002","18.983","0.002","90","","90","","90","","8009.7","1.4","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H128 Cl2 N12 Si8 Y2 -","- C52 H128 Cl2 N12 Si8 Y2 -","- C208 H512 Cl8 N48 Si32 Y8 -","4","1","","Lu, Zhiping; Yap, Glenn P. A.; Richeson, Darrin S.","Tetrasubstituted Guanidinate Anions as Supporting Ligands in Organoyttrium Chemistry","Organometallics","2001","20","4","706","","10.1021/om0009029","","","0.71073","MoKα","","0.1386","0.0478","","","0.0958","0.1178","","","","","","1.01","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077588","21.524","0.002","11.0456","0.0011","16.746","0.0017","90","","90","","90","","3981.3","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H55 B10 K O7 -","- C32 H53 B10 K O7 -","- C128 H212 B40 K4 O28 -","4","1","","Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei","Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System","Organometallics","2000","19","25","5447","","10.1021/om000547m","","","0.71073","MoKα","","0.1151","0.0564","","","0.1283","0.1534","","","","","","0.84","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077609","21.696","0.004","18.109","0.003","19.249","0.003","90","","90","","90","","7563","2","203","2","203","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H127 Al4 Li3 N12 -","- C51.998 H117 Al4 Li3 N12 -","- C207.992 H468 Al16 Li12 N48 -","4","1","","Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A.","Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes","Organometallics","2000","19","26","5683","","10.1021/om000603j","","","0.71073","MoKα","","0.1549","0.108","","","0.2831","0.322","","","","","","1.119","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077610","18.9693","0.0017","10.8903","0.001","18.7885","0.0017","90","","90","","90","","3881.4","0.6","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H68 Ga2 Li3 N7 -","- C28 H68 Ga2 Li3 N7 -","- C112 H272 Ga8 Li12 N28 -","4","1","","Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A.","Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes","Organometallics","2000","19","26","5683","","10.1021/om000603j","","","0.71073","MoKα","","0.0563","0.0349","","","0.0766","0.0858","","","","","","1.013","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4077611","18.929","0.007","10.966","0.004","18.59","0.007","90","","90","","90","","3859","2","203","2","203","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H68 Al2 Li3 N7 -","- C28 H63 Al2 Li3 N7 -","- C112 H252 Al8 Li12 N28 -","4","1","","Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A.","Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes","Organometallics","2000","19","26","5683","","10.1021/om000603j","","","0.71073","MoKα","","0.0828","0.0688","","","0.1854","0.1907","","","","","","1.026","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077667","20.354","0.0019","9.6415","0.0007","15.4","0.0014","90","","90","","90","","3022.1","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H42 B10 O4 Yb -","- C22 H42 B10 O4 Yb -","- C88 H168 B40 O16 Yb4 -","4","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry","Organometallics","2000","19","3","334","","10.1021/om990648o","","","0.71073","MoKα","","0.0767","0.0673","","","0.167","0.1744","","","","","","1.141","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077853","21.4332","0.0016","16.4391","0.0012","17.9893","0.0014","90","","90","","90","","6338.4","0.8","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H29 N3 P2 Ru -","- C38 H29 N3 P2 Ru -","- C304 H232 N24 P16 Ru8 -","8","2","","Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Nicholson, Brian K.; Parker, Christian R.; Patalinghug, Wyona C.; Skelton, Brian W.; White, Allan H.","Substitution of Tetracyanoethene by Ethynyl‒Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal‒Ligand Fragments","Organometallics","2012","31","7","2639","","10.1021/om2007503","","","0.71073","MoKα","","0.0819","0.048","","","0.1005","0.1165","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078077","14.3383","0.0004","16.4928","0.0004","17.3099","0.0004","90","","90","","90","","4093.42","0.18","100","2","100","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","","","- C38 H65 Hf N7 O -","- C38 H65 Hf N7 O -","- C152 H260 Hf4 N28 O4 -","4","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.0208","0.0174","","","0.0399","0.0414","","","","","","0.969","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078373","19.817","0.003","9.4203","0.0012","19.888","0.003","90","","90","","90","","3712.7","0.9","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H28 P Rh Se -","- C17 H28 P Rh Se -","- C136 H224 P8 Rh8 Se8 -","8","2","","Vicic, David A.; Myers, Andrew W.; Jones, William D.","Carbon−Selenium Bond Cleavage by a Rhodium Complex","Organometallics","1997","16","12","2751","","10.1021/om970209u","","","0.71073","MoKα","","0.0698","0.0509","","0.0708","0.0661","","","","1.116","1.167","1.167","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078377","19.7409","0.0006","9.4823","0.0003","19.6504","0.0006","90","","90","","90","","3678.3","0.2","223","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H28 P Rh S -","- C17 H28 P Rh S -","- C136 H224 P8 Rh8 S8 -","8","2","","Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.","Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation","Organometallics","1997","16","17","3819","","10.1021/om970416u","","","0.71073","MoKα","","0.03","0.026","","0.0599","0.0571","","","","1.152","1.141","1.141","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078379","9.7151","0.0002","14.3632","0.0001","16.5451","0.0003","90","","90","","90","","2308.7","0.07","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H32 P Rh S -","- C25 H32 P Rh S -","- C100 H128 P4 Rh4 S4 -","4","1","","Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.","Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation","Organometallics","1997","16","17","3819","","10.1021/om970416u","","","0.71073","MoKα","","0.0611","0.0417","","0.0768","0.0693","","","","1.099","1.115","1.115","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078656","20.932","0.004","7.503","0.0017","20.915","0.004","90","","90","","90","","3284.8","1.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H13 Cl3 N2 Ru -","- C17 H13 Cl3 N2 Ru -","- C136 H104 Cl24 N16 Ru8 -","8","2","","Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata","Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes","Organometallics","2012","31","15","5282","","10.1021/om300241y","","","0.71073","MoKα","","0.0846","0.0419","","","0.0904","0.1198","","","","","","1.075","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078667","18.553","0.0016","7.4458","0.0006","26.979","0.002","90","","90","","90","","3726.9","0.5","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C15 H22 F N3 O5 S Si -","- C15 H22 F N3 O5 S Si -","- C120 H176 F8 N24 O40 S8 Si8 -","8","2","","Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.","Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline","Organometallics","2012","31","14","4988","","10.1021/om3002697","","","0.71073","MoKα","","0.0934","0.0645","","","0.1254","0.1377","","","","","","1.079","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078694","15.9511","0.0004","9.2259","0.0002","23.099","0.0006","90","","90","","90","","3399.32","0.14","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C31 H34 Cl2 N3 O2 P Pt S3 -","- C31 H34 Cl2 N3 O2 P Pt S3 -","- C124 H136 Cl8 N12 O8 P4 Pt4 S12 -","4","1","","Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Clavel, Catherine M.; Dyson, Paul J.; Kock, Carmen de; Smith, Peter J.; Chibale, Kelly; Smith, Gregory S.","Exploring the Versatility of Cycloplatinated Thiosemicarbazones as Antitumor and Antiparasitic Agents","Organometallics","2012","31","16","5791","","10.1021/om300334z","","","0.71073","MoKα","","0.028","0.0214","","","0.0382","0.0403","","","","","","1.145","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078921","17.0645","0.0006","16.4054","0.0006","16.9043","0.0006","90","","90","","90","","4732.4","0.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H35 Cl2 F8 P3 Pd2 -","- C54 H35 Cl2 F8 P3 Pd2 -","- C216 H140 Cl8 F32 P12 Pd8 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0426","0.0306","","","0.0635","0.0668","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079037","15.848","0.0012","11.6578","0.0009","17.3963","0.0011","90","","90","","90","","3214","0.4","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H39 K O3 P2 S2 -","- C31 H39 K O3 P2 S2 -","- C124 H156 K4 O12 P8 S8 -","4","1","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.0732","0.0636","","","0.1678","0.1903","","","","","","1.145","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079062","10.8523","0.0012","23.421","0.005","21.169","0.003","90","","90","","90","","5380.6","1.5","173","2","173","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C49 H66 B11 Cl Ge N2 O P2 Pd -","- C49 H66 B11 Cl Ge N2 O P2 Pd -","- C196 H264 B44 Cl4 Ge4 N8 O4 P8 Pd4 -","4","1","","Dimmer, Jörg-Alexander; Hornung, Martin; Wütz, Tobias; Wesemann, Lars","Germa- and Stanna-closo-dodecaborate in Reaction with [PdCl2(Xantphos)]: P‒C and B‒H Bond Activation","Organometallics","2012","31","20","7044","","10.1021/om300438x","","","0.71073","MoKα","","0.0534","0.0429","","","0.1084","0.1256","","","","","","1.239","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079198","20.1608","0.0005","11.2594","0.0004","13.2055","0.0004","90","","90","","90","","2997.63","0.16","115","2","115","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H20 Fe N3 P -","- C15 H20 Fe N3 P -","- C120 H160 Fe8 N24 P8 -","8","2","","Marchenko, Anatolyi; Hurieva, Anastasiya; Koidan, Heorgii; Rampazzi, Vincent; Cattey, Hélène; Pirio, Nadine; Kostyuk, Aleksandr N.; Hierso, Jean-Cyrille","First Annelated Azaphosphole-Ferrocenes: Synthetic Pathways and Structures","Organometallics","2012","31","17","5986","","10.1021/om300563n","","","0.71073","MoKα","","0.0252","0.0243","","","0.0585","0.059","","","","","","1.102","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079260","23.477","0.004","14.538","0.003","22.655","0.005","90","","90","","90","","7732","3","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H56 B Cu F4 N4 -","- C38 H56 B Cu F4 N4 -","- C304 H448 B8 Cu8 F32 N32 -","8","2","","Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes","Organometallics","2012","31","22","7969","","10.1021/om3006195","","","0.71073","MoKα","","0.1108","0.0633","","","0.1146","0.1324","","","","","","0.991","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079682","17.0108","0.0017","19.7941","0.0019","16.8614","0.0017","90","","90","","90","","5677.5","1","90","2","90","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C68 H82 Cr2 -","- C68 H82 Cr2 -","- C272 H328 Cr8 -","4","1","","Boynton, Jessica N.; Summerscales, Owen T.; Grandjean, Fernande; Long, Gary J.; Fettinger, James C.; Power, Philip P.","Structural and Magnetic Studies of a Quasi-Inverse Sandwich Cyclooctatetraene Complex with Two High-Spin Chromium(II) Ions Bound Anti-Facially","Organometallics","2012","31","24","8556","","10.1021/om300936s","","","0.71073","MoKα","","0.0337","0.0297","","","0.0724","0.0739","","","","","","1.028","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4080281","9.591","0.0011","17.505","0.002","20.379","0.002","90","","90","","90","","3421.4","0.6","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H53 Fe Ho N2 O Si2 -","- C33 H53 Fe Ho N2 O Si2 -","- C132 H212 Fe4 Ho4 N8 O4 Si8 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0405","0.037","","","0.0781","0.0793","","","","","","1.086","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080284","9.555","0.003","17.625","0.006","20.422","0.006","90","","90","","90","","3439.2","1.9","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H53 Fe Gd N2 O Si2 -","- C33 H53 Fe Gd N2 O Si2 -","- C132 H212 Fe4 Gd4 N8 O4 Si8 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0539","0.0481","","","0.111","0.1133","","","","","","1.096","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080289","9.599","0.003","17.491","0.005","20.369","0.006","90","","90","","90","","3419.9","1.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H53 Er Fe N2 O Si2 -","- C33 H53 Er Fe N2 O Si2 -","- C132 H212 Er4 Fe4 N8 O4 Si8 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0451","0.0436","","","0.0997","0.1003","","","","","","1.296","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080290","9.546","0.005","17.747","0.009","20.479","0.01","90","","90","","90","","3469","3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H53 Fe N2 Nd O Si2 -","- C33 H53 Fe N2 Nd O Si2 -","- C132 H212 Fe4 N8 Nd4 O4 Si8 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0223","0.0202","","","0.0425","0.0434","","","","","","1.024","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080879","11.3451","0.0008","10.6675","0.0007","27.4051","0.0019","90","","90","","90","","3316.7","0.4","110","2","110","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H24 Au N3 O2 -","- C15 H24 Au N3 O2 -","- C120 H192 Au8 N24 O16 -","8","2","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.0282","0.0213","","","0.045","0.0472","","","","","","1.037","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4081011","20.184","0.012","9.634","0.006","40.76","0.02","90","","90","","90","","7926","8","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H56 N4 Se Si2 Zr -","- C39 H56 N4 Se Si2 Zr -","- C312 H448 N32 Se8 Si16 Zr8 -","8","2","","Gehrmann, Thorsten; Lloret-Fillol, Julio; Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazides as Metallanitrene Synthons: Release of Molecular N2from a Hydrazinediido Complex Induced by Oxidative N‒N Bond Cleavage","Organometallics","2013","32","14","3877","","10.1021/om400337g","","x-ray","0.71073","MoKα","","0.0596","0.0424","","","0.0773","0.0829","","","","","","1.04","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081197","12.314","0.0004","18.035","0.0006","23.51","0.0009","90","","90","","90","","5221.2","0.3","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","[CY5(NP)DIPP}Ir(H)3]2","","","- C58 H71 Ir2 N2 P2 -","- C58 H71 Ir2 N2 P2 -","- C232 H284 Ir8 N8 P8 -","4","1","","Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D.","Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design","Organometallics","2013","32","15","4431","","10.1021/om400688v","","","0.71073","MoKα","","0.0408","0.0285","","","0.0584","0.0634","","","","","","1.03","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081223","17.2861","0.0004","27.2812","0.0006","17.5884","0.0004","90","","90","","90","","8294.4","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Dodecamethyl-4-(trimethylsilyl)-1-(methyldiphenylsilyl)bicyclo[2.2.2]octasilane","","- C28 H58 Si10 -","- C28 H58 Si10 -","- C224 H464 Si80 -","8","2","","Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana","Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.","Organometallics","2013","32","16","4490","4500","10.1021/om400184y","","","0.71073","MoKα","","0.0521","0.0364","","","0.0806","0.0884","","","","","","1.055","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081370","18.1799","0.0002","8.36643","0.0001","15.776","0.0002","90","","90","","90","","2399.54","0.05","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H31 Cl2 N3 O5 Pd -","- C21 H31 Cl2 N3 O5 Pd -","- C84 H124 Cl8 N12 O20 Pd4 -","4","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","0.71073","MoKα","","0.0186","0.0167","","","0.0394","0.0404","","","","","","1.069","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081504","16.699","0.012","5.615","0.004","40.11","0.03","90","","90","","90","","3761","5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H19 Fe N3 O2 -","- C24 H19 Fe N3 O2 -","- C192 H152 Fe8 N24 O16 -","8","2","","Amin, Jahangir; Chuckowree, Irina S.; Wang, Minghua; Tizzard, Graham J.; Coles, Simon J.; Spencer, John","Synthesis of Oxindole-Based Bioorganometallic Kinase Inhibitors Incorporating One or More Ferrocene Groups","Organometallics","2013","32","20","5818","","10.1021/om400359m","","","0.6889","","","0.1638","0.1222","","","0.3059","0.348","","","","","","1.044","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081620","13.1758","0.0002","13.5806","0.0003","8.7585","0.0002","90","","90","","90","","1567.2","0.06","183","2","183","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H17 Fe N O S -","- C18 H17 Fe N O S -","- C72 H68 Fe4 N4 O4 S4 -","4","1","","Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles","Synthesis of Ferrocenyl and Ruthenocenyl Thioamide Derivatives Using a Single-Step Three-Component Reaction","Organometallics","2013","32","20","6098","","10.1021/om400715m","","","1.54184","CuKα","","0.0306","0.0285","","","0.0724","0.0746","","","","","","1.046","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081687","14.526","0.0009","13.7856","0.0009","14.5321","0.0009","90","","90","","90","","2910","0.3","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C26 H26 B2 F8 N2 O5 P Re -","- C26 H26 B2 F8 N2 O5 P Re -","- C104 H104 B8 F32 N8 O20 P4 Re4 -","4","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0373","0.0259","","","0.0548","0.0589","","","","","","1.082","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081710","18.0583","0.00013","12.4028","0.00008","19.3374","0.00013","90","","90","","90","","4331.06","0.05","120","0.1","120","0.1","","","","","","","synthesis as described","6","P c a 21","P 2c -2ac","29","","","","- C38 H58 Br2 Mg2 N4 O2 -","- C38 H58 Br2 Mg2 N4 O2 -","- C152 H232 Br8 Mg8 N16 O8 -","4","1","","Schwamm, Ryan J.; Coles, Martyn P.","Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds","Organometallics","2013","32","19","5277","","10.1021/om400909e","","","1.5418","CuKα","","0.0344","0.0343","","","0.089","0.089","","","","","","1.058","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081989","17.737","0.004","10.48","0.002","16.782","0.003","90","","90","","90","","3119.5","1.1","120","2","120","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C24 H40 B F4 N2 O P2 Rh S2 -","- C24 H40 B F4 N2 O P2 Rh S2 -","- C96 H160 B4 F16 N8 O4 P8 Rh4 S8 -","4","1","","Montag, Michael; Efremenko, Irena; Leitus, Gregory; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","CO-Induced Methyl Migration in a Rhodium Thiophosphoryl Pincer Complex and Its Comparison with Phosphine-Based Complexes: The Divergent Effects of S and P Donor Ligands","Organometallics","2013","32","23","7163","","10.1021/om4008696","","","0.71073","MoKα","","0.0295","0.0272","","","0.0693","0.0706","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082000","17.023","0.003","10.137","0.002","16.716","0.003","90","","90","","90","","2884.5","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(PNPH)Ni(CO)2","","","- C28 H41 N Ni O2 P2 -","- C28 H41 N Ni O2 P2 -","- C112 H164 N4 Ni4 O8 P8 -","4","1","","Yoo, Changho; Kim, Jin; Lee, Yunho","Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κC","Organometallics","2013","32","23","7195","","10.1021/om400881j","","","0.69999","synchrotron","","0.037","0.0362","","","0.0973","0.098","","","","","","1.043","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082297","16.8955","0.0008","10.1655","0.0005","35.1942","0.0018","90","","90","","90","","6044.6","0.5","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H57 N4 P3 Ru -","- C24 H57 N4 P3 Ru -","- C192 H456 N32 P24 Ru8 -","8","2","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.0746","0.051","","","0.0952","0.1044","","","","","","1.02","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082324","14.1775","0.0016","12.6712","0.0018","10.9575","0.0013","90","","90","","90","","1968.5","0.4","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","SH63","","- C14 H16 Br N4 O3 Re Si -","- C14 H16 Br N4 O3 Re Si -","- C56 H64 Br4 N16 O12 Re4 Si4 -","4","1","","Sklorz, Julian A. W.; Hoof, Santina; Sommer, Michael G.; Weißer, Fritz; Weber, Manuela; Wiecko, Jelena; Sarkar, Biprajit; Müller, Christian","Triazaphospholes versus Triazoles: An Investigation of the Differences between “Click”-Derived Chelating Phosphorus- and Nitrogen-Containing Heterocycles","Organometallics","2014","33","2","511","","10.1021/om4010077","","","0.71073","MoKα","","0.1098","0.0491","","","0.1003","0.1264","","","","","","0.884","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082352","16.3581","0.0016","16.6364","0.0018","17.0039","0.0019","90","","90","","90","","4627.4","0.9","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl3 Fe N2 -","- C21 H24 Cl3 Fe N2 -","- C168 H192 Cl24 Fe8 N16 -","8","2","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.7107","MoKα","","","0.0367","","","","0.0812","","","","","","1.003","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082429","19.525","0.004","10.504","0.002","17.787","0.003","90","","90","","90","","3647.9","1.2","250","2","250","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Moris-359 (Tatiana)","","","- C40 H42 N6 O2 Ti -","- C40 H42 N6 O2 Ti -","- C160 H168 N24 O8 Ti4 -","4","1","","Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.","Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene","Organometallics","2014","33","4","840","","10.1021/om401165g","","","0.71073","MoKα","","0.0925","0.0475","","","0.1191","0.1377","","","","","","0.873","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082585","17.6087","0.0004","16.5494","0.0004","15.9289","0.0003","90","","90","","90","","4641.9","0.18","100.15","","100.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 Ga N2 -","- C24 H35 Ga N2 -","- C192 H280 Ga8 N16 -","8","2","","Horeglad, Paweł; Ablialimov, Osman; Szczepaniak, Grzegorz; Dąbrowska, Anna Maria; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Complexes with Alkoxide and Aryloxide Ligands Possessing N-Heterocyclic Carbene Functionalities: Synthesis and Structure","Organometallics","2014","33","1","100","","10.1021/om400863y","","x-ray","0.7107","MoKα","","0.0356","0.0269","","","0.0605","0.0647","","","","","","1.054","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082679","13.0861","0.0005","14.1072","0.0006","19.0168","0.0009","90","","90","","90","","3510.7","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H50 B4 O8 -","- C30 H50 B4 O8 -","- C120 H200 B16 O32 -","4","1","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.1112","0.1015","","","0.265","0.2736","","","","","","1.162","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082893","21.9038","0.0019","8.6153","0.0007","25.675","0.002","90","","90","","90","","4845.1","0.7","100","2","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H33 Cu F6 N Sb -","- C21 H33 Cu F6 N Sb -","- C168 H264 Cu8 F48 N8 Sb8 -","8","2","","Das, Animesh; Dash, Chandrakanta; Yousufuddin, Muhammed; Dias, H. V. Rasika","Coordination and Ligand Substitution Chemistry of Bis(cyclooctyne)copper(I)","Organometallics","2014","33","7","1644","","10.1021/om4012032","","","0.71073","MoKα","","0.045","0.0359","","","0.0784","0.0829","","","","","","1.041","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082919","18.4523","0.0006","16.6112","0.0007","15.329","0.0006","90","","90","","90","","4698.6","0.3","109.9","0.4","109.9","0.4","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C58 H44 F2 O4 P2 Ru -","- C58 H44 F2 O4 P2 Ru -","- C232 H176 F8 O16 P8 Ru4 -","4","1","","Pickup, Oliver J. S.; Khazal, Iman; Smith, Elizabeth J.; Whitwood, Adrian C.; Lynam, Jason M.; Bolaky, Keshan; King, Timothy C.; Rawe, Benjamin W.; Fey, Natalie","Computational Discovery of Stable Transition-Metal Vinylidene Complexes","Organometallics","2014","33","7","1751","","10.1021/om500114u","","","0.7107","MoKα","","0.0695","0.0534","","","0.1106","0.125","","","","","","1.063","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082948","12.8642","0.0012","13.5832","0.0013","14.4363","0.0014","90","","90","","90","","2522.6","0.4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H27 B2 Cl2 F4 N7 Os -","- C20 H27 B2 Cl2 F4 N7 Os -","- C80 H108 B8 Cl8 F16 N28 Os4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Selectivemeta-C‒H Bond Activation of Substituted 1,3-Chlorobenzenes Promoted by an Osmium Pyridyl Complex","Organometallics","2014","33","7","1851","","10.1021/om500204s","","","0.71073","MoKα","","0.0441","0.0332","","","0.0739","0.081","","","","","","1.026","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4083227","18.661","0.0017","7.4635","0.0007","38.315","0.004","90","","90","","90","","5336.4","0.9","273","2","273","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H26 B10 Co N O4 S3 -","- C18 H26 B10 Co N O4 S3 -","- C144 H208 B80 Co8 N8 O32 S24 -","8","2","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0787","0.0578","","","0.1353","0.1426","","","","","","1.061","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083287","15.5062","0.0011","11.0311","0.0008","14.9547","0.0011","90","","90","","90","","2558","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H37 Cl P2 Pd -","- C26 H37 Cl P2 Pd -","- C104 H148 Cl4 P8 Pd4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.028","0.0236","","","0.0483","0.0496","","","","","","1.038","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083302","21.296","0.003","7.2966","0.0011","20.159","0.003","90","","90","","90","","3132.5","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H14 B10 O2 S2 -","- C9 H14 B10 O2 S2 -","- C72 H112 B80 O16 S16 -","8","2","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0736","0.0726","","","0.1772","0.1784","","","","","","1.048","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083316","16.9408","0.0008","20.0828","0.001","20.385","0.0009","90","","90","","90","","6935.4","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C77 H67 N3 O2 Si3 -","- C77 H67 N3 O2 Si3 -","- C308 H268 N12 O8 Si12 -","4","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","0.71073","MoKα","","0.1207","0.0893","","","0.2088","0.224","","","","","","1.222","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083416","23.7001","0.0011","16.9338","0.0007","7.9974","0.0004","90","","90","","90","","3209.6","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H35 Cl2 N3 O4 Ru -","- C31 H35 Cl2 N3 O4 Ru -","- C124 H140 Cl8 N12 O16 Ru4 -","4","1","","Pump, Eva; Poater, Albert; Zirngast, Michaela; Torvisco, Ana; Fischer, Roland; Cavallo, Luigi; Slugovc, Christian","Impact of Electronic Modification of the Chelating Benzylidene Ligand incis-Dichloro-Configured Second-Generation Olefin Metathesis Catalysts on Their Activity","Organometallics","2014","33","11","2806","","10.1021/om500315t","","","0.71073","MoKα","","0.0607","0.043","","","0.0855","0.092","","","","","","0.879","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083472","18.376","0.019","8.701","0.009","14.58","0.015","90","","90","","90","","2331","4","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H17 I3 N4 Pt Sn -","- C17 H17 I3 N4 Pt Sn -","- C68 H68 I12 N16 Pt4 Sn4 -","4","1","","Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning","Reactivity of SiMe3- and SnR3-Functionalized Bis(7-azaindol-1-yl)methane with [PtR2(μ-SMe2)]n(R = Me, Ph) and the Resulting Pt(II) and Pt(IV) Complexes","Organometallics","2009","28","8","2572","","10.1021/om900022n","","","0.71073","MoKα","","0.0354","0.0272","","","0.0567","0.0602","","","","","","0.939","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083718","26.0765","0.0011","10.245","0.0005","13.4739","0.0006","90","","90","","90","","3599.6","0.3","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C32 H40 F6 N O5 P2 Pd Sb -","- C32 H40 F6 N O5 P2 Pd Sb -","- C128 H160 F24 N4 O20 P8 Pd4 Sb4 -","4","1","","Contrella, Nathan D.; Sampson, Jessica R.; Jordan, Richard F.","Copolymerization of Ethylene and Methyl Acrylate by Cationic Palladium Catalysts That Contain Phosphine-Diethyl Phosphonate Ancillary Ligands","Organometallics","2014","","","140623145555006","","10.1021/om5004489","","","0.71073","MoKα","","0.0483","0.0322","","","0.0574","0.0613","","","","","","1.039","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4084122","21.1586","0.0009","7.8417","0.0003","22.8621","0.001","90","","90","","90","","3793.3","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C12 H15 B2 F8 N4 O3 Re -","- C12 H15 B2 F8 N4 O3 Re -","- C96 H120 B16 F64 N32 O24 Re8 -","8","2","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","Guanidine-Functionalized Rhenium Cyclopentadienyl Carbonyl Complexes: Synthesis and Cooperative Activation of H‒H and O‒H Bonds","Organometallics","2014","33","15","4107","","10.1021/om500650b","","","0.71073","MoKα","","0.0445","0.0386","","","0.0858","0.0888","","","","","","1.12","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084149","28.157","0.0012","8.9769","0.0005","28.4449","0.0014","90","","90","","90","","7189.8","0.6","153","","153","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C29.5 H40 Cl2 F6 P3 Pt Rh S2 -","- C29.5 H40 Cl2 F6 P3 Pt Rh S2 -","- C236 H320 Cl16 F48 P24 Pt8 Rh8 S16 -","8","2","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0872","","","","0.2251","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084457","14.7756","0.0018","12.1643","0.0015","14.8269","0.0018","90","","90","","90","","2664.9","0.6","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H39 I P2 Pd -","- C26 H39 I P2 Pd -","- C104 H156 I4 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Synthesis and Reactivity of a Nucleophilic Palladium(II) Carbene","Organometallics","2014","33","21","6059","","10.1021/om500682s","","","0.71073","MoKα","","0.0179","0.016","","","0.0364","0.0371","","","","","","1.029","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084548","28.4313","0.0003","8.0358","0.0001","16.2437","0.0002","90","","90","","90","","3711.17","0.08","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[NiBr2{ImDiPP(EtOMe)}2]","","","- C36 H52 Br2 N4 Ni O2 -","- C36 H52 Br2 N4 Ni O2 -","- C144 H208 Br8 N16 Ni4 O8 -","4","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.075","0.063","","","0.1824","0.1949","","","","","","1.137","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4085259","23.6","0.005","14.545","0.003","22.874","0.004","90","","90","","90","","7852","3","93","","93","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H56 Ag B F4 N4 -","- C38 H56 Ag B F4 N4 -","- C304 H448 Ag8 B8 F32 N32 -","8","2","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0839","","","","0.2293","","","","","","1.057","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085383","9.3982","0.001","20.578","0.002","13.2708","0.0014","90","","90","","90","","2566.5","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","complex_2a","(tBu)2(OMe)4(POCOP)Ir(CO)(H)(Cl)","","- C19 H32 Cl Ir O7 P2 -","- C19 H32 Cl Ir O7 P2 -","- C76 H128 Cl4 Ir4 O28 P8 -","4","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","","0.71073","MoKα","","0.0297","0.0233","","","0.0475","0.0494","","","","","","1.088","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085567","31.1347","0.0011","15.0786","0.0005","27.3801","0.001","90","","90","","90","","12854.1","0.8","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C95 H58.88 Cl2.63 I Ir N -","- C95 H58.875 Cl2.625 I Ir N -","- C760 H471 Cl21 I8 Ir8 N8 -","8","2","","Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Pentamethylcyclopentadienyl Iridium(III) Diiodide with Tin(II) Phthalocyanine and Pentamethylcyclopentadienyl Iridium(II) Halide with Fullerene C60‒Anions","Organometallics","2015","34","5","879","","10.1021/om501210s","","","0.71073","MoKα","","0.0411","0.0384","","","0.1106","0.113","","","","","","1.084","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085717","11.128","0.011","12.203","0.016","17.944","0.014","90","","90","","90","","2437","4","293","2","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H39 Cl N P Pd -","- C22 H39 Cl N P Pd -","- C88 H156 Cl4 N4 P4 Pd4 -","4","1","","Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F.","Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles","Organometallics","2015","34","9","1627","","10.1021/om501231k","","","0.71073","MoKα","","0.1358","0.0574","","","0.1","0.1474","","","","","","0.953","","","","has coordinates","140252","2020-10-21","18:00:00",""
"4085785","12.1315","0.0005","27.926","0.0012","15.9238","0.0006","90","","90","","90","","5394.7","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(PNP-tBu)ScCl2","","","- C22 H42 Cl2 N P2 Sc -","- C22 H42 Cl2 N P2 Sc -","- C176 H336 Cl16 N8 P16 Sc8 -","8","2","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0427","0.0358","","","0.072","0.0752","","","","","","1.045","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085867","26.5254","0.0006","12.2152","0.0003","20.8342","0.0005","90","","90","","90","","6750.6","0.3","123","","123","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C22 H31 Ag2 F12 N9 O2 P2 -","- C22 H31 Ag2 F12 N9 O2 P2 -","- C176 H248 Ag16 F96 N72 O16 P16 -","8","2","","Zhong, Rui; Pöthig, Alexander; Mayer, David C.; Jandl, Christian; Altmann, Philipp J.; Herrmann, Wolfgang A.; Kühn, Fritz E.","Spectroscopic and Structural Properties of Bridge-Functionalized Dinuclear Coinage-Metal (Cu, Ag, and Au) NHC Complexes: A Comparative Study","Organometallics","2015","","","150128111349001","","10.1021/om5012402","","x-ray","0.71073","MoKα","","0.0365","0.0325","","","0.0775","0.0795","","","","","","1.054","","","","has coordinates,has disorder","136850","2020-10-21","18:00:00",""
"4086119","19.188","0.004","10.488","0.002","23.506","0.005","90","","90","","90","","4730.4","1.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H35 N O3 Si4 -","- C18 H35 N O3 Si4 -","- C144 H280 N8 O24 Si32 -","8","2","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0961","0.091","","","0.2093","0.2124","","","","","","1.229","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086207","14.2038","0.0001","16.5766","0.0002","12.4661","0.0001","90","","90","","90","","2935.15","0.05","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C27 H31 Cl F3 N5 O5 Ru S -","- C27 H31 Cl F3 N5 O5 Ru S -","- C108 H124 Cl4 F12 N20 O20 Ru4 S4 -","4","1","","Donnelly, Kate F.; Segarra, Candela; Shao, Li-Xiong; Suen, Rachelle; Müller-Bunz, Helge; Albrecht, Martin","Adaptive N-Mesoionic Ligands Anchored to a Triazolylidene for Ruthenium-Mediated (De)Hydrogenation Catalysis","Organometallics","2015","34","16","4076","","10.1021/acs.organomet.5b00533","","","0.71073","MoKα","","0.0186","0.0176","","","0.0428","0.0435","","","","","","1.046","","","","has coordinates","154742","2020-10-21","18:00:00",""
"4086450","12.2583","0.0018","14.976","0.002","17.006","0.002","90","","90","","90","","3122","0.7","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H43 Cl2 P2 Pt -","- C32 H42 Cl2 P2 Pt -","- C128 H168 Cl8 P8 Pt4 -","4","1","","Magnuson, Kevin W.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Gembicky, Milan; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine‒Phosphaalkene Ligands","Organometallics","2016","35","6","855","859","10.1021/acs.organomet.6b00101","","x-ray","0.71073","MoKα","","0.0368","0.0285","","","0.0677","0.0725","","","","","","1.029","","","","has coordinates","181379","2020-10-21","18:00:00",""
"4086460","8.6431","0.001","14.9247","0.0017","16.4976","0.0019","90","","90","","90","","2128.1","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Mo-complex","","- C21 H36 Mo N2 O -","- C21 H36 Mo N2 O -","- C84 H144 Mo4 N8 O4 -","4","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.019","0.0178","","","0.0383","0.0388","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086471","8.5609","0.0004","14.9826","0.0006","16.3968","0.0007","90","","90","","90","","2103.13","0.16","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","W-complex","","- C21 H36 N2 O W -","- C21 H36 N2 O W -","- C84 H144 N8 O4 W4 -","4","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0222","0.0203","","","0.0413","0.042","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086523","21.048","0.005","16.731","0.004","17.175","0.004","90","","90","","90","","6048","2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H48 N4 Si2 Th -","- C26 H48 N4 Si2 Th -","- C208 H384 N32 Si16 Th8 -","8","2","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0447","0.0344","","","0.0722","0.0767","","","","","","0.938","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086537","18.1208","0.0008","8.5678","0.0004","21.5224","0.0009","90","","90","","90","","3341.5","0.3","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H51 N3 Ni O -","- C37 H51 N3 Ni O -","- C148 H204 N12 Ni4 O4 -","4","1","","Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A.","β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis","Organometallics","2016","35","12","2076","","10.1021/acs.organomet.6b00256","","","1.54178","CuKα","","0.0301","0.0299","","","0.0808","0.0811","","","","","","1.067","","","","has coordinates","184941","2020-10-21","18:00:00",""
"4086695","17.8204","0.0007","16.5297","0.0007","16.2443","0.0008","90","","90","","90","","4785","0.4","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 In N2 -","- C24 H35 In N2 -","- C192 H280 In8 N16 -","8","2","","Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł","Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium","Organometallics","2016","35","19","3311","","10.1021/acs.organomet.6b00510","","x-ray","0.71073","MoKα","","0.0534","0.0375","","","0.0724","0.0814","","","","","","1.049","","","","has coordinates","187944","2020-10-21","18:00:00",""
"4086800","11.8438","0.0003","11.954","0.0003","10.761","0.0003","90","","90","","90","","1523.55","0.07","143","2","143","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H22 Cl P S -","- C14 H22 Cl P S -","- C56 H88 Cl4 P4 S4 -","4","1","","Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias","Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane","Organometallics","2016","35","22","3861","","10.1021/acs.organomet.6b00743","","","0.71073","MoKα","","0.0469","0.0385","","","0.0839","0.0884","","","","","","1.104","","","","has coordinates","188901","2020-10-21","18:00:00",""
"4087042","15.0257","0.0007","10.0797","0.0005","14.1728","0.0007","90","","90","","90","","2146.54","0.18","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H35 B9 Ru S -","- C16 H35 B9 Ru S -","- C64 H140 B36 Ru4 S4 -","4","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Shvydkiy, Nikita V.; Kudinov, Alexander R.","Polyhedral Rearrangements in the Complexes of Rhodium and Iridium with Isomeric Carborane Anions [7,8-Me2-X-SMe2-7,8-nido-C2B9H8]− (X = 9 and 10)","Organometallics","2017","36","4","791","","10.1021/acs.organomet.6b00858","","","0.71073","MoKα","","0.0283","0.0255","","","0.0589","0.0606","","","","","","1.021","","","","has coordinates","193607","2020-10-21","18:00:00",""
"4087076","17.1204","0.0003","10.6306","0.0002","30.004","0.0006","90","","90","","90","","5460.73","0.18","133","2","133","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C32.5 H33 N5 -","- C32.5 H33 N5 -","- C260 H264 N40 -","8","2","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand","Organometallics","2017","36","5","994","","10.1021/acs.organomet.6b00914","","","0.71073","MoKα","","0.0618","0.0508","","","0.1046","0.1106","","","","","","1.105","","","","has coordinates","194865","2020-10-21","18:00:00",""
"4087329","11.348","0.0002","20.57","0.0005","22.729","0.0005","90","","90","","90","","5305.6","0.2","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Moris470 (Tapas)","","","- C43 H86 N6 Si6 U -","- C43 H86 N6 Si6 U -","- C172 H344 N24 Si24 U4 -","4","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0324","0.0283","","","0.0627","0.064","","","","","","1.072","","","","has coordinates","196056","2020-10-21","18:00:00",""
"4087331","11.41","0.0008","20.665","0.004","22.655","0.005","90","","90","","90","","5341.8","1.6","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Moris481 (Tapas)","","","- C43 H86 N6 Si6 Th -","- C43 H86 N6 Si6 Th -","- C172 H344 N24 Si24 Th4 -","4","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0323","0.0274","","","0.0658","0.0678","","","","","","1.045","","","","has coordinates","196058","2020-10-21","18:00:00",""
"4087406","14.30884","0.00015","12.19363","0.00014","14.5121","0.00017","90","","90","","90","","2532.02","0.05","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H39 Ga N2 O2 -","- C26 H39 Ga N2 O2 -","- C104 H156 Ga4 N8 O8 -","4","1","","Horeglad, Paweł; Cybularczyk, Martyna; Trzaskowski, Bartosz; Żukowska, Grażyna Zofia; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide","Organometallics","2015","34","14","3480","","10.1021/acs.organomet.5b00071","","x-ray","0.71073","MoKα","","0.0239","0.0218","","","0.0528","0.054","","","","","","1.047","","","","has coordinates","236781","2020-10-21","18:00:00",""
"4087707","20.8201","0.0007","7.3072","0.0002","18.1931","0.0006","90","","90","","90","","2767.84","0.15","106","2","106","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H25 Fe3 O3 P S -","- C33 H25 Fe3 O3 P S -","- C132 H100 Fe12 O12 P4 S4 -","4","1","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Transition-Metal Carbonyl Complexes of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2015","34","17","4293","","10.1021/acs.organomet.5b00520","","","0.71073","MoKα","","0.0436","0.0348","","","0.0651","0.0686","","","","","","0.994","","","","has coordinates","236934","2020-10-21","18:00:00",""
"4087715","19.5888","0.0009","11.1243","0.0007","16.8762","0.0009","90","","90","","90","","3677.5","0.3","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H50 B Co N P2 -","- C43 H50 B Co N P2 -","- C172 H200 B4 Co4 N4 P8 -","4","1","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","0.71073","MoKα","","0.1362","0.0599","","","0.0898","0.109","","","","","","0.976","","","","has coordinates","236937","2020-10-21","18:00:00",""
"4088115","13.141","0.0011","15.2335","0.0009","8.3686","0.0006","90","","90","","90","","1675.3","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H16 B N -","- C23 H16 B N -","- C92 H64 B4 N4 -","4","1","","Crossley, Daniel L.; Cid, Jessica; Curless, Liam D.; Turner, Michael L.; Ingleson, Michael J.","Facile Arylation of Four-Coordinate Boron Halides by Borenium Cation Mediated Boro-desilylation and -destannylation.","Organometallics","2015","34","24","5767","5774","10.1021/acs.organomet.5b00857","","","0.71073","MoKα","","0.0633","0.0524","","","0.1235","0.133","","","","","","1.102","","","","has coordinates","237287","2020-10-21","18:00:00",""
"4088210","13.8993","0.0007","15.3472","0.0008","20.0927","0.0011","90","","90","","90","","4286.1","0.4","293","2","293.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H22 Cl2 N2 O Ru -","- C22 H22 Cl2 N2 O Ru -","- C176 H176 Cl16 N16 O8 Ru8 -","8","2","","Jia, Wei-Guo; Zhang, Hui; Zhang, Tai; Xie, Dong; Ling, Shuo; Sheng, En-Hong","Half-Sandwich Ruthenium Complexes with Schiff-Base Ligands: Syntheses, Characterization, and Catalytic Activities for the Reduction of Nitroarenes","Organometallics","2016","35","4","503","","10.1021/acs.organomet.5b00933","","","0.71073","MoKα","","0.0351","0.0265","","","0.0599","0.0648","","","","","","1.016","","","","has coordinates","237380","2020-10-21","18:00:00",""
"4088306","22.574","0.003","8.3284","0.0012","13.943","0.002","90","","90","","90","","2621.4","0.6","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","DAC-BH3py (1py)","","","- C29 H38 B N3 O3 -","- C29 H38 B N3 O3 -","- C116 H152 B4 N12 O12 -","4","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","0.71075","MoKα","","0.0436","0.0403","","","0.1008","0.1031","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088528","17.469","","12.732","","15.832","","90","","90","","90","","3521.28","","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H46 Cl P2 Rh -","- C29 H46 Cl P2 Rh -","- C116 H184 Cl4 P8 Rh4 -","4","1","","Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.","Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium","Organometallics","2016","35","9","1279","","10.1021/acs.organomet.6b00155","","","1.54178","CuKα","","0.0247","0.0241","","","0.0611","0.0614","","","","","","1.019","","","","has coordinates","237642","2020-10-21","18:00:00",""
"4088578","17.7123","0.0009","12.5593","0.0007","17.9008","0.0009","90","","90","","90","","3982.1","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C44 H53 Al N4 Si -","- C44 H53 Al N4 Si -","- C176 H212 Al4 N16 Si4 -","4","1","","Mück, Felix M.; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian; Tacke, Reinhold","Lewis Acid/Base Reactions of the Bis(amidinato)silylene [iPrNC(Ph)NiPr]2Si and Bis(guanidinato)silylene [iPrNC(NiPr2)NiPr]2Si with ElPh3(El = B, Al)","Organometallics","2016","35","16","2583","","10.1021/acs.organomet.6b00204","","","0.71073","MoKα","","0.0646","0.0466","","","0.0945","0.103","","","","","","1.02","","","","has coordinates","237677","2020-10-21","18:00:00",""
"4088678","14.8635","0.0014","12.9587","0.0011","23.5511","0.0018","90","","90","","90","","4536.2","0.7","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","[Co(HCHNArMes2)(CNArMes2)]OTf","","","- C51 H52 Co F3 N2 O3 S -","- C51 H52 Co F3 N2 O3 S -","- C204 H208 Co4 F12 N8 O12 S4 -","4","1","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.1354","0.0719","","","0.1538","0.1838","","","","","","1.013","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088977","31.3061","0.0015","10.346","0.0005","16.5525","0.0009","90","","90","","90","","5361.2","0.5","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C57 H81 N O2 P2 Zr -","- C57 H81 N O2 P2 Zr -","- C228 H324 N4 O8 P8 Zr4 -","4","1","","Kurogi, Takashi; Kamitani, Masahiro; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Reactivity Studies of a Zirconium Methylidene Complex: Group Transfer and Methylenation Reactions","Organometallics","2016","36","1","74","","10.1021/acs.organomet.6b00594","","","0.71073","MoKα","","0.089","0.0552","","","0.118","0.1343","","","","","","1.024","","","","has coordinates,has disorder","237905","2020-10-21","18:00:00",""
"4089285","27.491","0.008","11.413","0.003","13.66","0.004","90","","90","","90","","4286","2","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","C36H43F12N3NiP4PdS2","C36H43F12N3NiP4PdS2","","- C36 H43 F12 N3 Ni P4 Pd S2 -","- C36 H43 F12 N3 Ni P4 Pd S2 -","- C144 H172 F48 N12 Ni4 P16 Pd4 S8 -","4","1","","Zhao, Tiankun; Ghosh, Pokhraj; Martinez, Zachary; Liu, Xufeng; Meng, Xianggao; Darensbourg, Marcetta Y.","Discrete Air-Stable Nickel(II)‒Palladium(II) Complexes as Catalysts for Suzuki‒Miyaura Reactions","Organometallics","2017","36","9","1822","","10.1021/acs.organomet.7b00176","","","0.71073","MoKα","","0.0221","0.0214","","","0.0558","0.0561","","","","","","1.032","","","","has coordinates","238090","2020-10-21","18:00:00",""
"4089499","11.0642","0.0002","9.9079","0.0002","16.0189","0.0004","90","","90","","90","","1756.04","0.06","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H22 I N2 P Pt -","- C15 H22 I N2 P Pt -","- C60 H88 I4 N8 P4 Pt4 -","4","1","","Maidich, Luca; Zucca, Antonio; Clarkson, Guy J.; Rourke, Jonathan P.","Oxidative Addition of MeI to a Rollover Complex of Platinum(II): Isolation of the Kinetic Product","Organometallics","2013","32","11","3371","","10.1021/om400300n","","","0.71073","MoKα","","0.0357","0.0337","","","0.0887","0.0906","","","","","","1.061","","","","has coordinates","243659","2020-10-21","18:00:00",""
"4089509","13.4278","0.0004","9.6691","0.0006","13.901","0.0005","90","","90","","90","","1804.83","0.14","150","1","150","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H16 Mo O6 -","- C20 H16 Mo O6 -","- C80 H64 Mo4 O24 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.042","0.0312","","","0.0627","0.0678","","","","","","1.137","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4100045","9.867","0.0004","14.292","0.0006","14.081","0.0004","90","","90","","90","","1985.7","0.1","273.2","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 B O5 -","- C23 H19 B O5 -","- C92 H76 B4 O20 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100180","24.315","0.006","13.85","0.004","21.742","0.006","90","","90","","90","","7322","3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H100 Cl N5 O36 V14 -","- C40 Cl N5 O36 V14 -","- C160 Cl4 N20 O144 V56 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0422209","","","","","","","","","","","","","","","","","","","","","has coordinates","134573","2020-10-21","18:00:00",""
"4100341","19.546","0.003","17.932","0.003","24.484","0.004","90","","90","","90","","8581.7","2.6","173.1","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H23 Cl N2 Pd -","- C24 H23 Cl N2 Pd -","- C384 H368 Cl16 N32 Pd16 -","16","4","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100502","20.824","0.003","9.707","0.002","31.106","0.004","90","","90","","90","","6287.8","1.9","183","2","183","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H29 Cl2 Cr N4 O -","- C37 H29 Cl2 Cr N4 O -","- C296 H232 Cl16 Cr8 N32 O8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","0.0671","","","0.1491","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100764","18.4013","0.0007","12.0982","0.0005","22.3482","0.0008","90","","90","","90","","4975.2","0.3","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H57 Cl N2 P2 Ru -","- C58.994 H56.994 Cl N2 P2 Ru -","- C235.976 H227.976 Cl4 N8 P8 Ru4 -","4","1","","Christine Bibal; Maren Pink; Yegor D. Smurnyy; John Tomaszewski; Kenneth G. Caulton","Multifunctional Behavior by a Bis-(phosphinimino)methanide Ligand: η2- vs η3-coordination vs Bronsted Basicity","Journal of the American Chemical Society","2004","126","","2312","2313","10.1021/ja039711y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101251","12.6135","0.0002","14.2569","0.0002","18.018","0.0003","90","","90","","90","","3240.17","0.09","180","","180","","","","","","","","?","6","P c a 21","P 2c -2ac","29","","","","- C35 H33 Ir N2 O3 S2 -","- C35 H33 Ir N2 O3 S2 -","- C140 H132 Ir4 N8 O12 S8 -","4","1","","Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B","Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes.","Journal of the American Chemical Society","2006","128","20","6647","6656","10.1021/ja0584267","","","0.71073","MoKα","","0.0263","0.0204","","0.0321","0.0285","0.0285","","","","","","0.8464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101431","40.07","0.005","18.332","0.002","10.556","0.003","90","","90","","90","","7754","2","133","2","133","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H59 Al N2 Si2 -","- C39 H59 Al N2 Si2 -","- C312 H472 Al8 N16 Si16 -","8","2","","Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S","Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.","Journal of the American Chemical Society","2006","128","15","5100","5108","10.1021/ja057731p","","","0.71073","MoKα","","0.1309","0.0493","","","0.0617","0.0768","","","","","","0.72","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101439","20.526","0.002","8.1237","0.0007","25.516","0.002","90","","90","","90","","4254.7","0.6","100","1","100","1","","","","","","","see text","2","P c a 21","P 2c -2ac","29","","","","- C32 H22 -","- C32 H22 -","- C256 H176 -","8","2","","Vicario, Javier; Walko, Martin; Meetsma, Auke; Feringa, Ben L","Fine tuning of the rotary motion by structural modification in light-driven unidirectional molecular motors.","Journal of the American Chemical Society","2006","128","15","5127","5135","10.1021/ja058303m","","","0.71073","MoKα","","0.069","0.0533","","","0.1239","0.1322","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101440","23.32","0.005","8.89","0.002","10.399","0.002","90","","90","","90","","2155.9","0.8","100","1","100","1","","","","","","","see text","2","P c a 21","P 2c -2ac","29","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Vicario, Javier; Walko, Martin; Meetsma, Auke; Feringa, Ben L","Fine tuning of the rotary motion by structural modification in light-driven unidirectional molecular motors.","Journal of the American Chemical Society","2006","128","15","5127","5135","10.1021/ja058303m","","","0.71073","MoKα","","0.1028","0.0579","","","0.1216","0.1345","","","","","","0.977","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101451","17.1638","0.001","12.4968","0.0008","30.4408","0.0018","90","","90","","90","","6529.3","0.7","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H21 B11 -","- C11 H21 B11 -","- C176 H336 B176 -","16","4","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1593","0.0663","","","0.1545","0.1917","","","","","","0.96","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101452","29.9835","0.0015","6.9576","0.0003","14.8049","0.0007","90","","90","","90","","3088.5","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H19 B11 -","- C10 H19 B11 -","- C80 H152 B88 -","8","2","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1289","0.0601","","","0.1353","0.1738","","","","","","0.994","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101455","26.847","0.002","11.2688","0.0009","22.1902","0.0018","90","","90","","90","","6713.4","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C42 H106 B22 Li4 O12 -","- C42 H106 B22 Li4 O12 -","- C168 H424 B88 Li16 O48 -","4","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1813","0.0901","","","0.2218","0.2962","","","","","","0.994","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101906","19.0493","0.0007","11.8023","0.0004","10.8159","0.0004","90","","90","","90","","2431.69","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C96 H120 N8 O32 S8 -","8","2","","Armin H. Stoll; Simon B. Blakey","Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate","Journal of the American Chemical Society","2010","132","","2108","2109","10.1021/ja908538t","","","1.54178","CuKα","","0.0224","0.022","","","0.056","0.0563","","","","","","1.04","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4103019","16.2058","0.0003","8.3923","0.0002","20.4013","0.0007","90","","90","","90","","2774.66","0.13","133","2","133","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H38 Ca N6 -","- C26 H38 Ca N6 -","- C104 H152 Ca4 N24 -","4","1","","Sven Krieck; Helmar Görls; Matthias Westerhausen","Mechanistic Elucidation of the Formation of the Inverse Ca(I) Sandwich Complex [(thf)~3~Ca(μ-C~6~H~3~-1,3,5-Ph~3~)Ca(thf)~3~]and Stability of Aryl-Substituted Phenylcalcium Complexes","Journal of the American Chemical Society","2010","132","","12492","12501","10.1021/ja105534w","","","0.71073","MoKα","","0.0675","0.0491","","","0.1253","0.1346","","","","","","1.043","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103197","14.089","0.005","7.999","0.003","15.361","0.005","90","","90","","90","","1731.2","1.1","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C4.5 H9 B0.5 F2 Fe N2.5 O1.5 S -","- C4.5 H9 B0.5 F2 Fe N2.5 O1.5 S -","- C36 H72 B4 F16 Fe8 N20 O12 S8 -","8","2","","Chung-Hung Hsieh; Marcetta Y. Darensbourg","A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release","Journal of the American Chemical Society","2010","132","","14118","14125","10.1021/ja104135x","","","0.71073","MoKα","","0.0275","0.0245","","","0.0529","0.0541","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103322","15.4911","0.0007","8.1017","0.0004","23.2701","0.0011","90","","90","","90","","2920.5","0.2","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Pd-complex","Pd-complex","","- C26 H25 N3 O7 Pd -","- C23 H18 N3 O4 Pd -","- C92 H72 N12 O16 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0444","0.0343","","","0.0666","0.0695","","","","","","1","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103511","26.4805","0.0011","10.7835","0.0004","12.7847","0.0005","90","","90","","90","","3650.7","0.2","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","","- C22 H52 Cl4 Fe4 N4 S3 -","- C22 H52 Cl4 Fe4 N4 S3 -","- C88 H208 Cl16 Fe16 N16 S12 -","4","1","","Xu-Dong Chen; Jeremiah S. Duncan; Atul K. Verma; Sonny C. Lee","Selective Syntheses of Iron-Imide-Sulfide Cubanes, Including a Partial Representation of the Fe-S-X Environment in the FeMo Cofactor","Journal of the American Chemical Society","2010","132","","15884","15886","10.1021/ja106478k","","","0.71073","MoKα","","0.0469","0.0379","","","0.0805","0.0889","","","","","","1.072","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103584","12.789","0.003","9.5673","0.0018","17.218","0.003","90","","90","","90","","2106.7","0.7","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H33 Cl Co N5 O6 -","- C15 H33 Cl Co N5 O6 -","- C60 H132 Cl4 Co4 N20 O24 -","4","1","","Jaeheung Cho; Ritimukta Sarangi; Hye Yeon Kang; Jung Yoon Lee; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam","Synthesis, Structural, and Spectroscopic Characterization and Reactivities of Mononuclear Cobalt(III)-Peroxo Complexes","Journal of the American Chemical Society","2010","132","","16977","16986","10.1021/ja107177m","","","0.71073","MoKα","","0.038","0.0345","","","0.1101","0.1164","","","","","","1.003","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103589","25.6591","0.0013","7.8808","0.0004","13.9773","0.0008","90","","90","","90","","2826.4","0.3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H35 F6 P Rh Sb -","- C27 H35 F6 P Rh Sb -","- C108 H140 F24 P4 Rh4 Sb4 -","4","1","","Jesús Campos; Ana C. Esqueda; Joaquín López-Serrano; Luis Sánchez; Fernando P. Cossio; Abel de Cozar; Eleuterio Álvarez; Celia Maya; Ernesto Carmona","A Cationic Rh(III) Complex That Efficiently Catalyzes Hydrogen Isotope Exchange in Hydrosilanes","Journal of the American Chemical Society","2010","132","","16765","16767","10.1021/ja108521b","","","0.71073","MoKα","","0.0606","0.0333","","","0.0608","0.07","","","","","","1.055","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103884","17.1288","0.0009","15.8049","0.0008","19.861","0.0012","90","","90","","90","","5376.7","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H28 Cl4 N2 Ru -","- C27 H28 Cl4 N2 Ru -","- C216 H224 Cl32 N16 Ru8 -","8","2","","Ian C. Stewart; Diego Benitez; Daniel J. O'Leary; Ekaterina Tkatchouk; Michael W. Day; William A. Goddard; Robert H. Grubbs","Conformations of N-Heterocyclic Carbene Ligands in Ruthenium Complexes Relevant to Olefin Metathesis","Journal of the American Chemical Society","2009","131","","1931","1938","10.1021/ja8078913","","","0.71073","MoKα","","0.1073","0.0538","","","0.0956","0.0995","","","","","","2.288","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4103972","25.078","0.003","7.7656","0.0012","11.962","0.002","90","","90","","90","","2329.5","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H20 Cl O2 P -","- C10 H20 Cl O2 P -","- C80 H160 Cl8 O16 P8 -","8","2","","Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle","Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties","Journal of the American Chemical Society","2009","131","","3078","3092","10.1021/ja808807s","","","0.71073","MoKα","","0.0542","0.0464","","","0.1065","0.1128","","","","","","1.05","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4104179","15.7991","0.0012","8.3868","0.0009","21.179","0.002","90","","90","","90","","2806.3","0.5","153","2","153","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C112 H152 N8 O24 -","8","2","","Eduardas Skucas; Jason R. Zbieg; Michael J. Krische","anti-Aminoallylation of Aldehydes via Ruthenium-Catalyzed Transfer Hydrogenative Coupling of Sulfonamido Allenes: 1,2-Aminoalcohols","Journal of the American Chemical Society","2009","131","","5054","5055","10.1021/ja900827p","","","0.7107","MoKα","","0.158","0.0895","","","0.1909","0.2199","","","","","","1.2","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104563","17.16","0.002","15.249","0.002","7.5538","0.001","90","","90","","90","","1976.6","0.4","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl N Si -","- C21 H24 Cl N Si -","- C84 H96 Cl4 N4 Si4 -","4","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0489","0.0438","","","0.1156","0.1202","","","","","","1.039","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104564","11.9398","0.0008","10.6673","0.0007","15.4012","0.0011","90","","90","","90","","1961.6","0.2","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl N Si -","- C21 H24 Cl N Si -","- C84 H96 Cl4 N4 Si4 -","4","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.0475","0.043","","","0.1114","0.1156","","","","","","1.055","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104612","14.5005","0.0004","9.7599","0.0003","15.6128","0.0005","90","","90","","90","","2209.58","0.12","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 F6 Pd Sb -","- C20 H29 F6 Pd Sb -","- C80 H116 F24 Pd4 Sb4 -","4","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","1.54178","CuKα","","0.0317","0.0291","","","0.0678","0.0691","","","","","","1.07","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4105316","16.2127","0.0018","5.8859","0.0009","25.442","0.003","90","","90","","90","","2427.8","0.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H17 B Fe S -","- C12 H17 B Fe S -","- C96 H136 B8 Fe8 S8 -","8","2","","Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner","Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers","Journal of the American Chemical Society","2009","131","","16319","16329","10.1021/ja906575s","","","0.71073","MoKα","","0.084","0.0436","","","0.0905","0.101","","","","","","0.787","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105332","15.726","0.003","9.803","0.002","17.111","0.003","90","","90","","90","","2637.9","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","6-KetoDipp-carbene","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Todd W. Hudnall; Christopher W. Bielawski","An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry","Journal of the American Chemical Society","2009","131","","16039","16041","10.1021/ja907481w","","","0.71073","MoKα","","0.0475","0.0385","","","0.0897","0.1024","","","","","","1.005","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105454","12.2913","0.0004","14.8034","0.0005","14.9881","0.0006","90","","90","","90","","2727.13","0.17","153","2","153","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H27 Cl8 Ga2 P3 -","- C12 H27 Cl8 Ga2 P3 -","- C48 H108 Cl32 Ga8 P12 -","4","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.71073","MoKα","","0.0298","0.0259","","","0.0562","0.0579","","","","","","1.026","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105606","16.9302","0.0004","11.4976","0.0002","24.1945","0.0007","90","","90","","90","","4709.62","0.19","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C38 H52 Cl2 F6 Fe N4 O8 S2 -","- C38 H52 Cl2 F6 Fe N4 O8 S2 -","- C152 H208 Cl8 F24 Fe4 N16 O32 S8 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0577","0.0381","","","0.0721","0.0759","","","","","","0.948","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105626","17.233","0.007","7.822","0.003","7.535","0.003","90","","90","","90","","1015.7","0.7","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0602","","","","0.1609","","","","","","1.027","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105922","18.0313","0.0014","10.084","0.0008","16.5021","0.0013","90","","90","","90","","3000.5","0.4","143","2","143","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H45 Bi N2 O -","- C32 H45 Bi N2 O -","- C128 H180 Bi4 N8 O4 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0263","0.0199","","","0.0441","0.046","","","","","","0.977","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106195","15.5224","0.0006","14.0036","0.0005","17.1234","0.0006","90","","90","","90","","3722.1","0.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","[SiPipr2SAd]FeCl","","","- C40 H55 Cl Fe P2 S Si -","- C40 H55 Cl Fe P2 S Si -","- C160 H220 Cl4 Fe4 P8 S4 Si4 -","4","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0406","0.0351","","","0.0853","0.0887","","","","","","1.021","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106571","36.2592","0.0014","6.5906","0.0003","11.6976","0.0005","90","","90","","90","","2795.4","0.2","143","1","143","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H26 Cl N -","- C15 H26 Cl N -","- C120 H208 Cl8 N8 -","8","2","","Jun Wang; Chunlong Ma; Giacomo Fiorin; Vincenzo Carnevale; Tuo Wang; Fanghao Hu; Robert A. Lamb; Lawrence H. Pinto; Mei Hong; Michael L. Klein; William F. DeGrado","Molecular Dynamics Simulation Directed Rational Design of Inhibitors Targeting Drug-Resistant Mutants of Influenza A Virus M2","Journal of the American Chemical Society","2011","133","","12834","12841","10.1021/ja204969m","","","0.71073","MoKα","","0.0279","0.0262","","","0.0656","0.0665","","","","","","1.067","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106578","17.236","0.003","12.3908","0.0019","17.302","0.003","90","","90","","90","","3695.2","1.1","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","L(tBu)CoPh","","","- C41 H58 Co N2 -","- C41 H58 Co N2 -","- C164 H232 Co4 N8 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0802","0.047","","","0.0977","0.1112","","","","","","1.021","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106584","5.6584","0.0004","11.0386","0.0008","5.7476","0.0004","90","","90","","90","","359","0.04","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Bi I O4 -","- Bi I O4 -","- Bi4 I4 O16 -","4","1","","Sau Doan Nguyen; Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani","BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response","Journal of the American Chemical Society","2011","133","","12422","12425","10.1021/ja205456b","","","0.71073","MoKα","","0.0193","0.019","","","0.0483","0.0484","","","","","","1.11","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106653","22.975","0.004","12.4694","0.0016","7.5472","0.0011","90","","90","","90","","2162.2","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H25 Br N2 O5 -","- C22 H25 Br N2 O5 -","- C88 H100 Br4 N8 O20 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","1.54186","CuKα","","0.0374","0.034","","","0.0798","0.0826","","","","","","1.081","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106721","13.55","0.003","6.4558","0.0013","32.423","0.007","90","","90","","90","","2836.2","1","150","1","150","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H13 B Br N O5 -","- C13 H13 B Br N O5 -","- C104 H104 B8 Br8 N8 O40 -","8","2","","Zhi He; Andrei K. Yudin","Amphoteric α-Boryl Aldehydes","Journal of the American Chemical Society","2011","133","","13770","13773","10.1021/ja205910d","","","0.71073","MoKα","","0.1518","0.0829","","","0.1961","0.2369","","","","","","1.003","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106735","15.3267","0.0011","16.7395","0.0013","6.3806","0.0005","90","","90","","90","","1637","0.2","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.0549","0.0397","","","0.0981","0.1167","","","","","","1.082","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106802","9.1762","0.0003","11.7369","0.0004","9.834","0.0003","90","","90","","90","","1059.12","0.06","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H9 La N O9 P3 -","- C3 H9 La N O9 P3 -","- C12 H36 La4 N4 O36 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","9.5848","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106803","9.766","0.0006","11.3438","0.0003","8.7307","0.0005","90","","90","","90","","967.22","0.09","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H7 La N O8 P3 -","- C3 H7 La N O8 P3 -","- C12 H28 La4 N4 O32 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","7.8962","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106804","8.7247","0.0005","11.3493","0.0003","9.7728","0.0006","90","","90","","90","","967.7","0.09","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H7 La N O8 P3 -","- C3 H7 La N O8 P3 -","- C12 H28 La4 N4 O32 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","6.9277","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106875","19.671","0.0014","8.748","0.0007","15.9812","0.0011","90","","90","","90","","2750.1","0.4","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H40 N O P Pd -","- C30 H40 N O P Pd -","- C120 H160 N4 O4 P4 Pd4 -","4","1","","Patrick S. Hanley; John F. Hartwig","Intermolecular Migratory Insertion of Unactivated Olefins into Palladium-Nitrogen Bonds. Steric and Electronic Effects on the Rate of Migratory Insertion","Journal of the American Chemical Society","2011","133","","15661","15673","10.1021/ja205722f","","","0.71073","MoKα","","0.0639","0.0387","","","0.0699","0.0773","","","","","","1.009","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106916","19.3034","0.0008","11.7118","0.0004","43.8395","0.0017","90","","90","","90","","9911.1","0.7","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C106 H160 N6 O5.5 -","- C104 H156 N6 O5 -","- C416 H624 N24 O20 -","4","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.7749","synchrotron","","0.1165","0.0978","","","0.2651","0.2806","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107521","18.6955","0.0004","17.8857","0.0004","19.2902","0.0004","90","","90","","90","","6450.3","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H44 Mn N4 -","- C36 H44 Mn N4 -","- C288 H352 Mn8 N32 -","8","2","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0482","0.0362","","","0.0739","0.0789","","","","","","1.012","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107525","18.5855","0.0004","17.939","0.0004","19.2006","0.0004","90","","90","","90","","6401.6","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H44 N4 Zn -","- C36 H44 N4 Zn -","- C288 H352 N32 Zn8 -","8","2","","Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt","Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System","Journal of the American Chemical Society","2008","130","","3181","3197","10.1021/ja710663n","","","0.71073","MoKα","","0.0638","0.0397","","","0.0743","0.0812","","","","","","1.034","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4108104","16.467","0.002","11.6868","0.0017","18.85","0.003","90","","90","","90","","3627.6","0.9","208","2","208","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H15 B F20 Mn O3 -","- C37 H15 B F20 Mn O3 -","- C148 H60 B4 F80 Mn4 O12 -","4","1","","Derek R. Laws; Daesung Chong; Karen Nash; Arnold L. Rheingold; William E. Geiger","Cymantrene Radical Cation Family: Spectral and Structural Characterization of the Half-Sandwich Analogues of Ferrocenium Ion","Journal of the American Chemical Society","2008","130","","9859","9870","10.1021/ja801930q","","","0.71073","MoKα","","0.0501","0.0429","","","0.1045","0.1109","","","","","","1.055","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108146","15.359","0.003","12.065","0.002","14.452","0.003","90","","90","","90","","2678","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","rlh2044","","","- C26 H33 Co O8 S Si -","- C26 H33 Co O8 S Si -","- C104 H132 Co4 O32 S4 Si4 -","4","1","","Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M.","Reactions of a Metallacyclobutene Complex with Alkenes","Journal of the American Chemical Society","2008","130","31","10093","10095","10.1021/ja803701z","","","0.71073","MoKα","","0.0577","0.0458","","","0.0916","0.0982","","","","","","1.019","","","","has coordinates","278042","2022-09-21","13:02:35",""
"4108173","15.4564","0.0006","22.1904","0.001","7.4161","0.0002","90","","90","","90","","2543.6","0.17","160","1","160","1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","1","","Yao-Ting Wu; Davide Bandera; Roman Maag; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Multiethynyl Corannulenes: Synthesis, Structure, and Properties","Journal of the American Chemical Society","2008","130","","10729","10739","10.1021/ja802334n","","","0.71073","MoKα","","0.0656","0.0433","","","0.0947","0.1059","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108296","21.38","0.006","7.175","0.002","32.098","0.009","90","","90","","90","","4924","2","193","2","193","2","","","","","","","","10","P c a 21","P 2c -2ac","29","","","","- C25 H50 B2 Cl2 F8 Fe4 N2 O8 P4 S4 -","- C25 H50 B2 Cl2 F8 Fe4 N2 O8 P4 S4 -","- C100 H200 B8 Cl8 F32 Fe16 N8 O32 P16 S16 -","4","1","","Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson","Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site","Journal of the American Chemical Society","2008","130","","12021","12030","10.1021/ja802268p","","","0.71073","MoKα","","0.0889","0.0396","","","0.0673","0.0764","","","","","","0.881","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108410","15.292","0.004","24.012","0.006","21.457","0.005","90","","90","","90","","7879","3","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C47 H51 B2 N -","- C47 H51 B2 N -","- C376 H408 B16 N8 -","8","2","","Ying-Li Rao; Hazem Amarne; Shu-Bin Zhao; Theresa M. McCormick; Sanela Martić; Yi Sun; Rui-Yao Wang; Suning Wang","Reversible Intramolecular C-C Bond Formation/Breaking and Color Switching Mediated by a N,C-Chelate in (2-ph-py)BMes2 and (5-BMes2-2-ph-py)BMes2","Journal of the American Chemical Society","2008","130","","12898","12900","10.1021/ja8052046","","","0.71073","MoKα","","0.1178","0.0541","","","0.1089","0.1397","","","","","","1.053","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4108458","14.9428","0.0013","8.5306","0.0007","24.732","0.002","90","","90","","90","","3152.6","0.5","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","(1S,2S,3S,4S)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","(1S,2S,3S,4S)-3-hydroxy-2-methyl-3,4-diphenylcyclobutyl acetate","","- C19 H20 O3 -","- C19 H20 O3 -","- C152 H160 O24 -","8","2","","Jarugu Narasimha Moorthy; Subhas Samanta; Apurba L. Koner; Satyajit Saha; Werner M. Nau","Intramolecular O-H...O Hydrogen-Bond-Mediated Reversal in the Partitioning of Conformationally Restricted Triplet 1,4-Biradicals and Amplification of Diastereodifferentiation in Their Lifetimes","Journal of the American Chemical Society","2008","130","","13608","13617","10.1021/ja8032179","","","0.71073","MoKα","","0.0922","0.0812","","","0.1929","0.2078","","","","","","1.034","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108629","17.879","0.005","12.945","0.005","31.057","0.005","90","0.005","90","0.005","90","0.005","7188","4","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C34 H55 N3 Ni O S3 -","- C34 H55 N3 Ni O S3 -","- C272 H440 N24 Ni8 O8 S24 -","8","2","","Andrew G. Tennyson; Shanta Dhar; Stephen J. Lippard","Synthesis and Characterization of {Ni(NO)}10 and {Co(NO)2}10 Complexes Supported by Thiolate Ligands","Journal of the American Chemical Society","2008","130","","15087","15098","10.1021/ja803992y","","","0.71073","MoKα","","0.0841","0.0775","","","0.1686","0.1717","","","","","","1.23","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108761","14.3169","0.0017","29.023","0.003","18.438","0.002","90","","90","","90","","7661.3","1.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H108 Mo2 N6 O9 -","- C72 H96 Mo2 N6 O8 -","- C288 H384 Mo8 N24 O32 -","4","1","","Soumya Sarkar; Khalil A. Abboud; Adam S. Veige","Addition of Mild Electrophiles to a Mo\τbN Triple Bond and Nitrile Synthesis via Metal-Mediated N-Atom Transfer to Acid Chlorides","Journal of the American Chemical Society","2008","130","","16128","16129","10.1021/ja805629x","","","0.71073","MoKα","","0.1412","0.071","","","0.1666","0.1949","","","","","","0.866","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4109655","18.761","0.003","8.497","0.0011","21.895","0.003","90","","90","","90","","3490.3","0.9","150","0.1","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","jonag16","Ni(dippe)(xylyl)(CCxylyl), 4","","- C36 H58 P2 Pt -","- C36 H58 P2 Pt -","- C144 H232 P8 Pt4 -","4","1","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0585","0.0461","","","0.1063","0.1104","","","","","","1.063","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109749","26.5116","0.0015","10.9036","0.0009","28.9821","0.0017","90","","90","","90","","8377.9","1","103.15","","103","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C38 H60 B Br2 Li Mg N2 O3 -","- C38 H60 B Br2 Li Mg N2 O3 -","- C304 H480 B8 Br16 Li8 Mg8 N16 O24 -","8","2","","Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki","Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane","Journal of the American Chemical Society","2007","129","","9570","9571","10.1021/ja073037t","","","0.7107","MoKα","","0.0566","0.0509","","","0.0928","0.0948","","","","","","1.143","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109879","25.956","0.002","19.0818","0.0015","33.801","0.003","90","","90","","90","","16741","2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H65.5 K18.5 O172.75 P4 W40 -","- K18.5 O172.75 P4 W40 -","- K74 O691 P16 W160 -","4","1","","Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill","Terminal Gold-Oxo Complexes","Journal of the American Chemical Society","2007","129","","11118","11133","10.1021/ja072456n","","","0.71073","MoKα","","0.0542","0.0483","","","0.1172","0.1209","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109906","30.756","0.003","14.2653","0.0013","31.74","0.003","90","","90","","90","","13926","2","220","2","220","2","","","","","","","","5","P c a 21","P 2c -2ac","29","CB10 melanime","","","- C90 H189 I2 N52 O71.5 -","- C90 H90 I2 N52 O22 -","- C360 H360 I8 N208 O88 -","4","1","","Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs","Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli","Journal of the American Chemical Society","2007","129","","11232","11241","10.1021/ja073320s","","","0.71073","MoKα","","0.0677","0.0532","","","0.119","0.1251","","","","","","1","","","","has coordinates,has disorder","211408","2020-10-21","18:00:00",""
"4109932","28.98","0.008","9.097","0.002","21.175","0.005","90","","90","","90","","5582","2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C34 H36 O4 -","- C34 H36 O4 -","- C272 H288 O32 -","8","2","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.1616","0.0765","","","0.1711","0.2112","","","","","","0.803","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109939","22.641","0.003","13.976","0.003","17.924","0.003","90","","90","","90","","5671.7","1.7","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H39 N3 O2 Zn -","- C30 H39 N3 O2 Zn -","- C240 H312 N24 O16 Zn8 -","8","2","","Ryan C. Jeske; Angela M. DiCiccio; Geoffrey W. Coates","Alternating Copolymerization of Epoxides and Cyclic Anhydrides: An Improved Route to Aliphatic Polyesters","Journal of the American Chemical Society","2007","129","","11330","11331","10.1021/ja0737568","","","0.71073","MoKα","","0.0596","0.0489","","","0.1193","0.1247","","","","","","1.028","","","","has coordinates,has disorder","178845","2020-10-21","18:00:00",""
"4110058","17.0487","0.001","18.9416","0.0011","25.4574","0.0016","90","","90","","90","","8220.9","0.9","220","2","220","2","","","","","","","","4","P c a 21","P 2c -2ac","29","cmpd_3","","","- C36 H66 Hf2 N8 -","- C36 H66 Hf2 N8 -","- C288 H528 Hf16 N64 -","8","2","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0332","0.0253","","","0.0552","0.0586","","","","","","1","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110163","17.079","0.006","12.092","0.004","16.206","0.005","90","","90","","90","","3346.9","1.9","173","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Tantalum","Tantalum tetra(dimethyl)amide Hydroamide","","- C10 H30 N5 O Ta -","- C10 H30 N5 O Ta -","- C80 H240 N40 O8 Ta8 -","8","2","","Shu-Jian Chen; Xin-Hao Zhang; Xianghua Yu; He Qiu; Glenn P. A. Yap; Ilia A. Guzei; Zhenyang Lin; Yun-Dong Wu; Zi-Ling Xue","Reaction of Ta(NMe2)5 with O2: Formation of Aminoxy and Unusual (Aminomethyl)amide Oxo Complexes and Theoretical Studies of the Mechanistic Pathways","Journal of the American Chemical Society","2007","129","","14408","14421","10.1021/ja075076a","","","0.71073","MoKα","","0.0536","0.0388","","","0.0945","0.1229","","","","","","1.163","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110220","19.786","0.003","7.5257","0.0013","11.448","0.002","90","","90","","90","","1704.6","0.5","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","guanidinium sulfonate clathrate","","","- C14 H18 Br N3 O3 S -","- C14 H18 Br N3 O3 S -","- C56 H72 Br4 N12 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.7107","MoKα","","0.0768","0.0518","","","0.1138","0.1207","","","","","","0.922","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110591","17.672","0.0002","28.028","0.0003","31.078","0.0005","90","","90","","90","","15393.3","0.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Compound 2b[CB11Me11H]2","","","- C133 H271 B22 Cl2 P6 Rh6 -","- C133 H271 B22 Cl2 P6 Rh6 -","- C532 H1084 B88 Cl8 P24 Rh24 -","4","1","","Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller","High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions","Journal of the American Chemical Society","2006","128","","6247","6263","10.1021/ja0604663","","","0.71073","MoKα","","0.094","0.0561","","","0.1105","0.1216","","","","","","1.028","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110661","17.678","0.004","5.8367","0.0012","10.929","0.002","90","","90","","90","","1127.7","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","","Norio Sakai; André Ridder; John F. Hartwig","Tropene Derivatives by Sequential Intermolecular and Transannular, Intramolecular Palladium-Catalyzed Hydroamination of Cycloheptatriene","Journal of the American Chemical Society","2006","128","","8134","8135","10.1021/ja061349a","","","0.71073","MoKα","","0.0775","0.0517","","","0.1178","0.1297","","","","","","1.004","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110680","14.283","0.002","11.5693","0.0017","20.138","0.003","90","","90","","90","","3327.7","0.8","293","2","220","2","","","","","","","","5","P c a 21","P 2c -2ac","29","ethylbis(2-furyl)phenylphosphonium iodide","","","- C16 H16 I O2 P -","- C16 H16 I O2 P -","- C128 H128 I8 O16 P8 -","8","2","","Marco Ackermann; Aurelia Pascariu; Thomas Höcher; Hans-Ullrich Siehl; Stefan Berger","Electronic Properties of Furyl Substituents at Phosphorus and Their Influence on 31P NMR Chemical Shifts","Journal of the American Chemical Society","2006","128","","8434","8440","10.1021/ja057085u","","","0.71073","MoKα","","0.035","0.0303","","","0.0704","0.0731","","","","","","1.107","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4111022","9.743","0.002","16.188","0.003","15.137","0.003","90","","90","","90","","2387.4","0.8","110","","110","","","","","","","","local laboratory","3","P c a 21","P 2c -2ac","29","","","","- C31 H28 O5 -","- C31 H28 O5 -","- C124 H112 O20 -","4","1","","Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","An Organic White Light-Emitting Fluorophore","Journal of the American Chemical Society","2006","128","","14081","14092","10.1021/ja0632207","","","0.71073","MoKα","","0.054","0.038","","","0.082","0.088","","","","","","1.037","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111225","19.6306","0.0007","9.7464","0.0003","23.6322","0.0007","90","","90","","90","","4521.5","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H41 I P2 -","- C19 H41 I P2 -","- C152 H328 I8 P16 -","8","2","","Joshua I. Bates; Derek P. Gates","Diphosphiranium (P2C) or Diphosphetanium (P2C2) Cyclic Cations: Different Fates for the Electrophile-Initiated Cyclodimerization of a Phosphaalkene","Journal of the American Chemical Society","2006","128","","15998","15999","10.1021/ja0667662","","","0.71073","MoKα","","0.027","0.0235","","","0.0507","0.052","","","","","","1.018","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111467","14.277","0.0002","9.3405","0.0004","17.8241","0.0005","90","","90","","90","","2376.92","0.13","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H26 Fe Ni2 Si -","- C29 H26 Fe Ni2 Si -","- C116 H104 Fe4 Ni8 Si4 -","4","1","","Wing Yan Chan; Scott B. Clendenning; Andrea Berenbaum; Alan J. Lough; Stephane Aouba; Harry E. Ruda; Ian Manners","Highly Metallized Polymers: Synthesis, Characterization, and Lithographic Patterning of Polyferrocenylsilanes with Pendant Cobalt, Molybdenum, and Nickel Cluster Substituents","Journal of the American Chemical Society","2005","127","","1765","1772","10.1021/ja045386i","","","0.71073","MoKα","","0.048","0.0347","","","0.0742","0.0803","","","","","","1.043","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111544","25.802","0.005","15.758","0.003","22.786","0.005","90","","90","","90","","9265","3","301","2","301","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C75 H139 B2 Cu3 F8 P6 -","- C75 H139 B2 Cu3 F8 P6 -","- C300 H556 B8 Cu12 F32 P24 -","4","1","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.0951","0.0658","","","0.1767","0.1943","","","","","","0.986","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111590","24.8008","0.0008","17.4613","0.0005","45.1532","0.0018","90","","90","","90","","19553.8","1.1","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H91 Nb O3 Si3 -","- C42 H86.5 Nb O3 Si3 -","- C672 H1384 Nb16 O48 Si48 -","16","4","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.1053","0.088","","","0.2054","0.2182","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111608","29.644","0.004","7.4582","0.001","30.473","0.004","90","","90","","90","","6737.3","1.6","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C71 H72 Ag2 Au4 Cl2 N8 O4 -","- C71 H72 Ag2 Au4 Cl2 N8 O4 -","- C284 H288 Ag8 Au16 Cl8 N32 O16 -","4","1","","Ahmed A. Mohamed; Alfredo Burini; John P. Fackler","Mixed-Metal Triangular Trinuclear Complexes: Dimers of Gold-Silver Mixed-Metal Complexes from Gold(I) Carbeniates and Silver(I) 3,5-Diphenylpyrazolates","Journal of the American Chemical Society","2005","127","","5012","5013","10.1021/ja0429869","","","0.71073","MoKα","","0.0978","0.0597","","","0.116","0.1332","","","","","","1.019","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4112105","13.732","0.005","13.721","0.005","20.397","0.005","90","","90","","90","","3843","2","373","2","373","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H34 Cu2 N6 O8 -","- C40 H34 Cu2 N6 O8 -","- C160 H136 Cu8 N24 O32 -","4","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0917","0.0559","","","0.1466","0.1647","","","","","","1.021","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112298","18.9647","0.0001","11.3278","0.0001","21.7733","0.0002","90","","90","","90","","4677.52","0.06","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H21 O5 P W -","- C25 H21 O5 P W -","- C200 H168 O40 P8 W8 -","8","2","","J. Chris Slootweg; Marius Schakel; Frans J. J. de Kanter; Andreas W. Ehlers; Sergei I. Kozhushkov; Armin de Meijere; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Branched Phospha[7]triangulanes","Journal of the American Chemical Society","2004","126","","3050","3051","10.1021/ja031648p","","","0.71073","MoKα","","0.045","0.0285","","","0.0378","0.0405","","","","","","0.975","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112380","27.488","0.0001","15.5223","0.0002","21.3367","0.0003","90","","90","","90","","9103.88","0.18","273.2","","155","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H39 B F20 P2 Si W -","- C43 H37 B F20 P2 Si W -","- C344 H296 B8 F160 P16 Si8 W8 -","8","2","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0363","0.03","","0.0377","0.0366","","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112590","26.3682","0.0017","14.3569","0.0009","32.485","0.002","90","","90","","90","","12297.7","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","{[PhBPiPr3]Fe}2(?-N2)","","","- C54 H97 B2 Fe2 N2 P6 -","- C54 H97 B2 Fe2 N2 P6 -","- C432 H776 B16 Fe16 N16 P48 -","8","2","","Theodore A. Betley; Jonas C. Peters","A Tetrahedrally Coordinated L3Fe-Nx Platform that Accommodates Terminal Nitride (FeIV\τbN) and Dinitrogen (FeI-N2-FeI) Ligands","Journal of the American Chemical Society","2004","126","","6252","6254","10.1021/ja048713v","","","0.71073","MoKα","","0.0758","0.0504","","","0.0973","0.1019","","","","","","1.645","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112637","18.475","0.0017","14.965","0.004","16.469","0.0013","90","","90","","90","","4553.3","1.3","213","2","213","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cr3(dpa)4Cl2, toluene","","","- C47 H40 Cl2 Cr3 N12 -","- C47 H40 Cl2 Cr3 N12 -","- C188 H160 Cl8 Cr12 N48 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0646","0.0516","","","0.1158","0.1251","","","","","","1.075","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4113188","17.627","0.003","7.7849","0.0012","14.749","0.002","90","","90","","90","","2023.9","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","[Cp2]Zr{PhN(CH2)3NPh}","","","- C25 H26 N2 Zr -","- C25 H26 N2 Zr -","- C100 H104 N8 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0267","0.0265","","","0.064","0.0642","","","","","","1.146","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113588","16.624","0.003","10.239","0.002","18.645","0.004","90","","90","","90","","3173.6","1.1","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H46 Si6 -","- C26 H46 Si6 -","- C104 H184 Si24 -","4","1","","Roland Fischer; Judith Baumgartner; Guido Kickelbick; Christoph Marschner","The First Stable β-Fluorosilylanion","Journal of the American Chemical Society","2003","125","","3414","3415","10.1021/ja0291639","","","0.71073","MoKα","","0.0588","0.0532","","","0.1168","0.1212","","","","","","1.037","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113596","18.155","0.005","16.731","0.004","18.149","0.005","90","","90","","90","","5513","3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C46 H71 B Fe3 Mo N8 S7 -","- C46 H71 B Fe3 Mo N8 S7 -","- C184 H284 B4 Fe12 Mo4 N32 S28 -","4","1","","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","","0.0644","0.0497","","","0.0957","0.0998","","","","","","0.937","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113767","8.849","0.003","17.062","0.015","9.952","0.008","90","","90","","90","","1502.6","1.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 2e","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","","Claude Legault; André B. Charette","Complexation Promoted Additions to N-Benzoyliminopyridinium Ylides. A Novel and Highly Regioselective Approach to Polysubstituted Piperidines","Journal of the American Chemical Society","2003","125","","6360","6361","10.1021/ja0348647","","","1.54056","CuKα","","0.1144","0.0977","","0.2399","","0.2242","","","0.953","","","1.105","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113837","17.76","0.0007","13.149","0.0005","16.8334","0.0006","90","","90","","90","","3931","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H64 Ba O4 Si6 -","- C24 H64 Ba O4 Si6 -","- C96 H256 Ba4 O16 Si24 -","4","1","","Keith Izod; Stephen T. Liddle; William Clegg","Alkyl Complexes of Strontium and Barium: Synthesis and Structural Characterization of {(Me3Si)2(MeOMe2Si)C}2Sr(THF) and {(Me3Si)2(MeOMe2Si)C}2Ba(MeOCH2CH2OMe)","Journal of the American Chemical Society","2003","125","","7534","7535","10.1021/ja0352404","","","0.71073","MoKα","","0.0251","0.0196","","","0.0417","0.0434","","","","","","1.035","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113841","18.125","0.001","16.326","0.001","27.145","0.002","90","","90","","90","","8032.4","0.9","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","01119","","","- C48 H37 B Fe N6 O3 -","- C48 H37 B Fe N6 O3 -","- C384 H296 B8 Fe8 N48 O24 -","8","2","","Mark P. Mehn; Kiyoshi Fujisawa; Eric L. Hegg; Lawrence Que","Oxygen Activation by Nonheme Iron(II) Complexes: α-Keto Carboxylate versus Carboxylate","Journal of the American Chemical Society","2003","125","","7828","7842","10.1021/ja028867f","","","0.71073","MoKα","","0.1515","0.0633","","","0.1402","0.1631","","","","","","1.006","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4114251","12.0416","0.0009","15.7116","0.0011","15.16","0.0011","90","","90","","90","","2868.2","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H18 O3 S -","- C15 H18 O3 S -","- C120 H144 O24 S8 -","8","2","","Shengming Ma; Junliang Zhang","2,3,4- or 2,3,5-Trisubstituted Furans: Catalyst-Controlled Highly Regioselective Ring-Opening Cycloisomerization Reaction of Cyclopropenyl Ketones","Journal of the American Chemical Society","2003","125","","12386","12387","10.1021/ja036616g","","","0.71073","MoKα","","0.0831","0.0446","","","0.0598","0.0666","","","","","","0.791","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114385","19.2352","0.0008","6.0039","0.0003","8.1627","0.0004","90","","90","","90","","942.68","0.08","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(3-aminophenyl)phenol","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0519","0.0378","","","0.093","0.1","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114389","23.937","0.0007","6.216","0.0002","8.397","0.0003","90","","90","","90","","1249.41","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-[3-(4-aminophenyl)propyl]phenol","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.051","0.0389","","","0.0856","0.0918","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114537","17.434","0.0013","12.2322","0.0009","18.0994","0.0013","90","","90","","90","","3859.8","0.5","193","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","holjs95","","","- C41 H59 Fe N3 -","- C41 H59 Fe N3 -","- C164 H236 Fe4 N12 -","4","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.051","0.04","","","0.0806","0.084","","","","","","1.045","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114757","12.6313","0.0002","20.5633","0.0002","7.039","0.0001","90","","90","","90","","1828.32","0.04","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H19 N9 O7 Pt2 -","- C8 H19 N9 O7 Pt2 -","- C32 H76 N36 O28 Pt8 -","4","1","","Seiji Komeda; Martin Lutz; Anthony L. Spek; Yasuyuki Yamanaka; Takaji Sato; Masahiko Chikuma; Jan Reedijk","A Novel Isomerization on Interaction of Antitumor-Active Azole-Bridged Dinuclear Platinum(II) Complexes with 9-Ethylguanine. Platinum(II) Atom Migration from N2 to N3 on 1,2,3-Triazole","Journal of the American Chemical Society","2002","124","","4738","4746","10.1021/ja0168559","","","0.71073","MoKα","","0.0354","0.034","","","0.0921","0.0932","","","","","","1.051","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114945","16.1489","0.001","11.4856","0.0007","24.025","0.0015","90","","90","","90","","4456.2","0.5","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H40 F8 N8 O12 -","- C45 H40 F8 N8 O12 -","- C180 H160 F32 N32 O48 -","4","1","","Arindam Chakraborty; Anxin Wu; Dariusz Witt; Jason Lagona; James C. Fettinger; Lyle Isaacs","Diastereoselective Formation of Glycoluril Dimers: Isomerization Mechanism and Implications for Cucurbit[n]uril Synthesis","Journal of the American Chemical Society","2002","124","","8297","8306","10.1021/ja025876f","","","0.71073","MoKα","","0.0451","0.0342","","","0.084","0.0917","","","","","","1.044","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114998","14.8422","0.0005","12.5791","0.0005","24.829","0.001","90","","90","","90","","4635.6","0.3","296.2","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H27 Cl N2 O6 -","- C21 H27 Cl N2 O6 -","- C168 H216 Cl8 N16 O48 -","8","2","","Shunichi Fukuzumi; Osamu Inada; Naoya Satoh; Tomoyoshi Suenobu; Hiroshi Imahori","Significant Enhancement of Electron Transfer Reduction of NAD+ Analogues by Complexation with Scandium Ion and the Detection of the Radical Intermediate-Scandium Ion Complex","Journal of the American Chemical Society","2002","124","","9181","9188","10.1021/ja0260364","","","0.7107","MoKα","","","0.0775","","","","0.1891","","","","","","1.313","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115022","17.096","0.003","17.107","0.002","17.333","0.002","90","","90","","90","","5069.2","1.2","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(dippe)Ni(eta2-3-cyanoquinoline)","","","- C24 H38 N2 Ni P2 -","- C24 H38 N2 Ni P2 -","- C192 H304 N16 Ni8 P16 -","8","2","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.1525","0.0972","","","0.1712","0.1959","","","","","","1.101","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115261","23.6288","0.0006","7.2487","0.0002","7.1894","0.0002","90","","90","","90","","1231.39","0.06","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1Z)-naphthalene-1,2-dione 1-[(2-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0435","0.0357","","","0.0769","0.0805","","","","","","1.07","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115262","23.6614","0.0007","7.258","0.0002","7.2182","0.0002","90","","90","","90","","1239.61","0.06","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1Z)-naphthalene-1,2-dione 1-[(2-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0574","0.0394","","","0.0789","0.0862","","","","","","1.059","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115263","23.7049","0.0009","7.2711","0.0003","7.2535","0.0003","90","","90","","90","","1250.22","0.09","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1Z)-naphthalene-1,2-dione 1-[(2-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0468","0.0385","","","0.0846","0.091","","","","","","1.129","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115264","23.78","0.001","7.2962","0.0004","7.3283","0.0005","90","","90","","90","","1271.49","0.12","295","","295","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1Z)-naphthalene-1,2-dione 1-[(2-fluorophenyl)hydrazone]","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Gastone Gilli","The Nature of Solid-State N-H...O/O-H...N Tautomeric Competition in Resonant Systems. Intramolecular Proton Transfer in Low-Barrier Hydrogen Bonds Formed by the ...OC-CN-NH... <‒> ...HO-CC-NN... Ketohydrazone-Azoenol System. A Variable-Temperature X-ray Crystallographic and DFT Computational Study","Journal of the American Chemical Society","2002","124","","13554","13567","10.1021/ja020589x","","","0.7107","MoKα","","0.0618","0.0482","","","0.0991","0.1071","","","","","","1.226","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115709","27.488","0.0001","15.5223","0.0002","21.3367","0.0003","90","","90","","90","","9103.88","0.18","273.2","","155","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H39 B F20 P2 Si W -","- C43 H37 B F20 P2 Si W -","- C344 H296 B8 F160 P16 Si8 W8 -","8","2","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","0.0363","0.03","","0.0377","0.0366","","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115762","20.312","0.004","8.679","0.008","12.045","0.004","90","","90","","90","","2123","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C10 H18 F8 I2 N3 O P -","- C10 H18 F8 I2 N3 O P -","- C40 H72 F32 I8 N12 O4 P4 -","4","1","","Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu","Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction","Journal of the American Chemical Society","2001","123","","11069","11070","10.1021/ja015786v","","","0.71069","MoKα","","0.0852","0.0556","","","0.1481","0.1721","","","","","","1.042","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115812","14.175","0.003","14.183","0.003","14.574","0.004","90","","90","","90","","2930","1.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C30 H52 O8 -","- C30 H52 O8 -","- C120 H208 O32 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0685","0.0481","","","0.1095","0.1211","","","","","","1.067","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4116040","13.214","0.0002","13.407","0.0003","15.731","0.0003","90","","90","","90","","2786.91","0.09","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H29 Cl2 Fe N12 O8 -","- C18 H29 Cl2 Fe N12 O8 -","- C72 H116 Cl8 Fe4 N48 O32 -","4","1","","Justine P. Roth; Scott Lovell; James M. Mayer","Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes","Journal of the American Chemical Society","2000","122","","5486","5498","10.1021/ja9941328","","","0.7107","MoKα","","0.0904","0.0504","","","0.1412","0.1619","","","","","","1.03","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116337","9.944","0.001","7.127","0.001","12.723","0.002","90","","90","","90","","901.7","0.2","294","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","","Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju","Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks","Journal of the American Chemical Society","1999","121","","1936","1944","10.1021/ja981967u","","","1.54184","CuKα","","","0.039","","","","0.064","","","","","","2.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116339","19.708","0.004","7.742","0.004","9.858","0.004","90","","90","","90","","1504.1","1","296.2","","296.2","","","","","","","","prepared by T. Mitsudo et al.","6","P c a 21","P 2c -2ac","29","[AgOTf(PCTD)]n","","","- C15 H16 Ag F3 O3 S -","- C15 H16 Ag F3 O3 S -","- C60 H64 Ag4 F12 O12 S4 -","4","1","","Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo","Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.0^2,6^.0^3,13^.0^10,14^]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","1999","121","9","1839","1850","10.1021/ja9835741","","","0.7107","MoKα","","0.0288","0.0288","","","0.0302","0.0302","","","","","","1.277","","","","has coordinates","134518","2020-10-21","18:00:00",""
"4116767","12.177","0.003","4.483","0.003","19.271","0.003","90","","90","","90","","1052","0.8","90","2","90","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(5-chloro-2-hydroxybenzylidene)aniline","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","","Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada","Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction","Journal of the American Chemical Society","1998","120","","7107","7108","10.1021/ja980972v","","","0.71073","MoKα","","0.0629","0.035","","","0.079","0.0857","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116951","28.596","0.005","9.0299","0.0014","26.184","0.003","90","","90","","90","","6761.2","1.8","153","2","153","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C36 H30 B F4 N2 P2 Pd S2 -","- C36 H30 B F4 N2 P2 Pd S2 -","- C288 H240 B8 F32 N16 P16 Pd8 S16 -","8","2","","Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato","Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates","Journal of the American Chemical Society","1997","119","","3311","3316","10.1021/ja9626998","","","0.71073","MoKα","","0.1121","0.0755","","0.1861","0.1646","","","","1.078","1.118","1.118","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4118041","31.246","0.009","10.8069","0.0017","35.036","0.007","90","","90","","90","","11831","5","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[Cu(pytren-a)](ClO4)2","","","- C28 H33 Cl2 Cu N5 O8 -","- C28 H33 Cl2 Cu N5 O8 -","- C448 H528 Cl32 Cu16 N80 O128 -","16","4","","Mario Inclán; M. Teresa Albelda; Juan C. Frías; Salvador Blasco; Begoña Verdejo; Carolina Serena; Clàudia Salat-Canela; Maria Luisa Díaz; Antonio García-España; Enrique García-España","Modulation of DNA Binding by Reversible Metal-Controlled Molecular Reorganizations of Scorpiand-like Ligands","Journal of the American Chemical Society","2012","134","","9644","9656","10.1021/ja300538s","","","0.71073","MoKα","","0.3494","0.1197","","","0.226","0.2866","","","","","","0.755","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118511","18.4231","0.0005","9.1321","0.0003","10.0716","0.0003","90","","90","","90","","1694.46","0.09","123","1","123","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H15 Cl3 N2 O4 S -","- C14 H15 Cl3 N2 O4 S -","- C56 H60 Cl12 N8 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0154","0.0154","","","0.0412","0.0412","","","","","","1.073","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118777","29.976","0.004","7.7137","0.0011","7.5088","0.001","90","","90","","90","","1736.2","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.1412","0.097","","","0.2167","0.2449","","","","","","1.19","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4119033","19.258","0.005","8.836","0.002","10.373","0.003","90","","90","","90","","1765.1","0.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","DJS477","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0293","0.028","","","0.0717","0.0728","","","","","","0.982","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119041","13.9465","0.0004","7.2435","0.0002","24.0511","0.0009","90","","90","","90","","2429.68","0.13","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ge K4 P4 Se12 -","- Ge K4 P4 Se12 -","- Ge4 K16 P16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0443","0.0349","","","0.0877","0.1178","","","","","","1.108","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119042","14.1881","0.0005","7.3566","0.0003","24.2914","0.0015","90","","90","","90","","2535.4","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ge P4 Rb4 Se12 -","- Ge P4 Rb4 Se12 -","- Ge4 P16 Rb16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0878","0.0561","","","0.0633","0.0696","","","","","","1.032","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119043","14.3268","0.0007","7.6202","0.0003","24.6301","0.0014","90","","90","","90","","2688.9","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cs4 Ge P4 Se12 -","- Cs4 Ge P4 Se12 -","- Cs16 Ge4 P16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0853","0.054","","","0.0703","0.0767","","","","","","0.998","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119053","9.7258","0.0004","19.6056","0.0007","8.2346","0.0003","90","","90","","90","","1570.17","0.1","173","2","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","potassium 1,3-di(nitroimide)-1,2,3-triazolate","potassium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H2 K N7 O4 -","- C2 H2 K N7 O4 -","- C16 H16 K8 N56 O32 -","8","2","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0314","0.0277","","","0.062","0.0643","","","","","","1.044","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4119511","12.561","0.005","16.625","0.005","21.744","0.005","90","","90","","90","","4541","2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H69 Fe N3 Si2 -","- C45 H69 Fe N3 Si2 -","- C180 H276 Fe4 N12 Si8 -","4","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54184","CuKα","","0.0611","0.045","","","0.1019","0.1097","","","","","","1.015","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119567","23.5047","0.0006","11.9644","0.0003","23.5149","0.0006","90","","90","","90","","6612.9","0.3","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C56 H102 Co N3 O S Si6 U -","- C56 H102 Co N3 O S Si6 U -","- C224 H408 Co4 N12 O4 S4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Guang Wu; Nikolas Kaltsoyannis; Trevor W. Hayton","Synthesis and Spectroscopic and Computational Characterization of the Chalcogenido-Substituted Analogues of the Uranyl Ion, [OUE]2+ (E = S, Se)","Journal of the American Chemical Society","2013","135","","5352","5355","10.1021/ja402068j","","","0.71073","MoKα","","0.0678","0.0532","","","0.1268","0.1385","","","","","","1.076","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119568","23.5018","0.0013","12.0015","0.0006","23.5553","0.0013","90","","90","","90","","6643.9","0.6","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C54 H104 Co N3 O2 Se Si6 U -","- C54 H104 Co N3 O2 Se Si6 U -","- C216 H416 Co4 N12 O8 Se4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Guang Wu; Nikolas Kaltsoyannis; Trevor W. Hayton","Synthesis and Spectroscopic and Computational Characterization of the Chalcogenido-Substituted Analogues of the Uranyl Ion, [OUE]2+ (E = S, Se)","Journal of the American Chemical Society","2013","135","","5352","5355","10.1021/ja402068j","","","0.71073","MoKα","","0.0808","0.0548","","","0.1424","0.1531","","","","","","1.144","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119734","20.52","0.004","14.543","0.003","18.761","0.005","90","","90","","90","","5599","2","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H92 Cl2 O2 P2 Ru -","- C59 H92 Cl2 O2 P2 Ru -","- C236 H368 Cl8 O8 P8 Ru4 -","4","1","","César A. Urbina-Blanco; Albert Poater; Tomas Lebl; Simone Manzini; Alexandra M. Z. Slawin; Luigi Cavallo; Steven P. Nolan","The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis","Journal of the American Chemical Society","2013","135","","7073","7079","10.1021/ja402700p","","","0.71073","MoKα","","0.1164","0.0623","","","0.103","0.121","","","","","","0.973","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119746","16.8955","0.001","7.4323","0.0004","21.7513","0.0013","90","","90","","90","","2731.4","0.3","143","2","143","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","2","","Yvonne Schmidt; Jonathan K. Lam; Hung V. Pham; K. N. Houk; Christopher D. Vanderwal","Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers","Journal of the American Chemical Society","2013","135","","7339","7348","10.1021/ja4025963","","","0.71073","MoKα","","0.0356","0.0336","","","0.0894","0.0912","","","","","","1.043","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119824","23.8873","0.0006","9.0066","0.0002","27.0771","0.0007","90","","90","","90","","5825.5","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H76 Mo2 O11 S2 -","- C58 H76 Mo2 O11 S2 -","- C232 H304 Mo8 O44 S8 -","4","1","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker","Metal-Metal Quadruple Bonds Supported by 5-Ethynylthiophene-2-carboxylato Ligands: Preparation, Molecular and Electronic Structures, Photoexcited State Dynamics, and Application as Molecular Synthons","Journal of the American Chemical Society","2013","135","","8254","8259","10.1021/ja400508u","","","0.71073","MoKα","","0.0668","0.0396","","","0.085","0.0944","","","","","","1.084","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4120325","21.924","0.004","7.5397","0.0013","9.2002","0.0013","90","","90","","90","","1520.8","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H14 B10 F4 -","- C10 H14 B10 F4 -","- C40 H56 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.077","0.0537","","","0.1266","0.142","","","","","","1.009","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120431","17.2639","0.0006","18.5917","0.0006","20.0435","0.0006","90","","90","","90","","6433.3","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H41 F12 N8 Ni P2 -","- C24 H41 F12 N8 Ni P2 -","- C192 H328 F96 N64 Ni8 P16 -","8","2","","Heims, Florian; Pfaff, Florian Felix; Abram, Sarah-Luise; Farquhar, Erik R.; Bruschi, Maurizio; Greco, Claudio; Ray, Kallol","Redox non-innocence of a N-heterocyclic nitrenium cation bound to a nickel-cyclam core.","Journal of the American Chemical Society","2014","136","2","582","585","10.1021/ja4099559","","","0.71073","MoKα","","0.1267","0.0839","","","0.1715","0.194","","","","","","1.04","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120530","19.9987","0.0004","10.2339","0.0002","24.9466","0.0005","90","","90","","90","","5105.69","0.18","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H69 B3 Cl4 N8 -","- C48 H69 B3 Cl4 N8 -","- C192 H276 B12 Cl16 N32 -","4","1","","Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan","The elusive three-coordinate dicationic hydrido boron complex.","Journal of the American Chemical Society","2014","136","3","914","917","10.1021/ja4120852","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120630","24.042","0.003","18.1865","0.0019","17.3262","0.0017","90","","90","","90","","7575.7","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Complex 4","","","- C37 H59 N6 Nb -","- C37 H59 N6 Nb -","- C296 H472 N48 Nb8 -","8","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0641","0.0454","","","0.0976","0.1065","","","","","","1.032","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120694","14.2771","0.0017","5.5968","0.0004","14.1592","0.0013","90","","90","","90","","1131.41","0.19","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba3 Cl O10 P3 -","- Ba3 Cl O10 P3 -","- Ba12 Cl4 O40 P12 -","4","1","","Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling","Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br).","Journal of the American Chemical Society","2014","136","1","480","487","10.1021/ja411272y","","","0.71073","MoKα","","0.0358","0.029","","","0.0451","0.0477","","","","","","1.148","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120799","7.736","0.009","14.421","0.016","21.89","0.02","90","","90","","90","","2442","5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H32 N2 O Si -","- C27 H32 N2 O Si -","- C108 H128 N8 O4 Si4 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0601","0.0512","","","0.1181","0.1233","","","","","","1.01","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120801","21.833","0.014","11.77","0.007","8.45","0.005","90","","90","","90","","2171","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H21 F3 N2 O Si -","- C23 H21 F3 N2 O Si -","- C92 H84 F12 N8 O4 Si4 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.1301","0.0713","","","0.1529","0.1784","","","","","","1.02","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4121219","17.6867","0.0008","17.8745","0.0006","26.9816","0.0008","90","","90","","90","","8530","0.5","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","TPPN x HN(SO2CF3)2","1,8-Bis(trispyrrolidinophosphazenyl)naphthalene x HN(SO2CF3)2","","- C36 H55 F6 N9 O4 P2 S2 -","- C36 H55 F6 N9 O4 P2 S2 -","- C288 H440 F48 N72 O32 P16 S16 -","8","2","","Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer","A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton","Journal of the American Chemical Society","2013","135","","17768","17774","10.1021/ja409760z","","","0.71073","MoKα","","0.107","0.0482","","","0.0919","0.1022","","","","","","0.687","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121587","23.112","0.004","6.9534","0.0013","22.638","0.004","90","","90","","90","","3638.1","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H31 Ca2 O28 P3 -","- C24 H31 Ca2 O28 P3 -","- C96 H124 Ca8 O112 P12 -","4","1","","Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio","Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity.","Journal of the American Chemical Society","2014","136","15","5731","","10.1021/ja500356z","","","0.71073","MoKα","","0.1152","0.0721","","","0.1505","0.173","","","","","","1.032","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4122017","15.8713","0.0009","11.7642","0.0007","16.8804","0.001","90","","90","","90","","3151.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H49 Ir O P2 -","- C33 H49 Ir O P2 -","- C132 H196 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","0.71073","MoKα","","0.0574","0.0377","","","0.0889","0.0989","","","","","","1.006","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122384","18.3618","0.0015","11.6411","0.001","25.598","0.002","90","","90","","90","","5471.6","0.8","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H32 Br2 N2 O2 -","- C30 H32 Br2 N2 O2 -","- C240 H256 Br16 N16 O16 -","8","2","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","0.71073","","","0.0505","0.0421","","","0.0919","0.0973","","","","","","1.037","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122668","17.8165","0.0011","18.3144","0.0011","23.5832","0.0017","90","","90","","90","","7695.2","0.9","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H44.35 B F4 N O2.18 Si -","- C45 H44 B F4 N O2.178 Si -","- C360 H352 B8 F32 N8 O17.424 Si8 -","8","2","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0696","0.0459","","","0.1004","0.1105","","","","","","1.054","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122768","22.553","0.003","12.525","0.001","20.818","0.002","90","","90","","90","","5880.6","1.1","293","2","293","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2 -","- C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2 -","- C196 H216 Ag8 Cl8 F48 N32 O8 P8 S8 -","4","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0795","0.0411","","","0.0425","0.0467","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122769","22.726","0.009","13.108","0.005","20.763","0.007","90","","90","","90","","6185","4","293","2","293","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C51 H54 Ag2 Cl2 F6 N8 O8 S4 -","- C51 H54 Ag2 Cl2 F6 N8 O8 S4 -","- C204 H216 Ag8 Cl8 F24 N32 O32 S16 -","4","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0647","0.0401","","","0.0865","0.0944","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123226","25.749","0.013","12.001","0.006","27.085","0.014","90","","90","","90","","8370","7","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","6","","","- C36 H58 N5 Si4 Y -","- C36 H58 N5 Si4 Y -","- C288 H464 N40 Si32 Y8 -","8","2","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.0789","0.0554","","","0.1027","0.1159","","","","","","1.04","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123859","12.2051","0.0005","12.7514","0.0006","19.5704","0.0008","90","","90","","90","","3045.8","0.2","133","2","133","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H31 Cl2 Co N3 O P2 -","- C32 H31 Cl2 Co N3 O P2 -","- C128 H124 Cl8 Co4 N12 O4 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0894","0.0565","","","0.0876","0.0949","","","","","","0.917","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4124828","23.848","0.003","19.628","0.003","7.4604","0.0009","90","","90","","90","","3492.1","0.8","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","5,14-di(trimethylsilylethynyl)dibenzo[a,m]rubicene","","- C44 H34 Si2 -","- C44 H34 Si2 -","- C176 H136 Si8 -","4","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.1532","0.0673","","","0.1331","0.1873","","","","","","0.956","","","","has coordinates","173462","2020-10-21","18:00:00",""
"4125230","19.756","0.009","11.388","0.005","8.946","0.004","90","","90","","90","","2012.7","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.0485","0.043","","","0.1248","0.1336","","","","","","0.942","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125232","19.787","0.009","11.403","0.005","8.953","0.004","90","","90","","90","","2020.1","1.6","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl2 D2 N2 O4 -","- C20 H20 Cl2 D2 N2 O4 -","- C80 H80 Cl8 D8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71073","MoKα","","0.0597","0.0443","","","0.1053","0.1138","","","","","","0.893","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125233","19.745","0.005","11.357","0.003","8.896","0.0019","90","","90","","90","","1994.9","0.8","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.0327","0.0325","","","0.105","0.1059","","","","","","1.005","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125296","23.1187","0.0004","7.8379","0.0002","15.2175","0.0003","90","","90","","90","","2757.44","0.1","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C32 H38 O4 -","- C32 H38 O4 -","- C128 H152 O16 -","4","1","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0299","0.0294","","","0.0769","0.0772","","","","","","1.044","","","","has coordinates","189944","2020-10-21","18:00:00",""
"4125471","13.96917","0.0001","7.51073","0.00005","14.95331","0.0001","90","","90","","90","","1568.88","0.019","85","2","85","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H18 N O -","- C20 H18 N O -","- C80 H72 N4 O4 -","4","1","","Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S.","Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications.","Journal of the American Chemical Society","2017","139","8","2924","2927","10.1021/jacs.7b00147","","","1.54184","CuKα","","0.0361","0.0357","","","0.0917","0.0923","","","","","","1.09","","","","has coordinates","193477","2020-10-21","18:00:00",""
"4125568","11.934","0.0003","9.8566","0.0003","11.2837","0.0003","90","","90","","90","","1327.29","0.06","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 Se -","- C11 H22 N2 Se -","- C44 H88 N8 Se4 -","4","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0457","0.0344","","","0.0583","0.0616","","","","","","1.08","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125600","17.6487","0.0016","20.6724","0.0019","18.2635","0.0014","90","","90","","90","","6663.3","1","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H70 F12 N6 P2 Ru -","- C66 H46 F12 N6 P2 Ru -","- C264 H184 F48 N24 P8 Ru4 -","4","1","","Van Raden, Jeff M.; Louie, Shayan; Zakharov, Lev N.; Jasti, Ramesh","2,2'-Bipyridyl-Embedded Cycloparaphenylenes as a General Strategy To Investigate Nanohoop-Based Coordination Complexes.","Journal of the American Chemical Society","2017","139","8","2936","2939","10.1021/jacs.7b00359","","","1.54178","CuKα","","0.1629","0.1194","","","0.3092","0.3449","","","","","","1.031","","","","has coordinates","193490","2020-10-21","18:00:00",""
"4125627","15.3013","0.001","10.7723","0.0006","14.3639","0.001","90","","90","","90","","2367.6","0.3","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H24 B F4 Fe N4 O2 -","- C20 H24 B F4 Fe N4 O2 -","- C80 H96 B4 F16 Fe4 N16 O8 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.1328","0.0696","","","0.0814","0.0934","","","","","","1.072","","","","has coordinates,has disorder","288469","2023-12-21","09:29:37",""
"4125665","20.323","0.002","7.6843","0.0008","23.998","0.003","90","","90","","90","","3747.7","0.7","130","","130","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C176 H240 O32 -","8","2","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.0787","0.0528","","","0.1069","0.1187","","","","","","1.012","","","","has coordinates","193062","2020-10-21","18:00:00",""
"4125668","35.943","0.012","13.474","0.005","33.885","0.012","90","","90","","90","","16410","10","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","CB","","- C55 H110.5 I N29 O36.25 -","- C55 H66 I0.763 N29 O14 -","- C440 H528 I6.104 N232 O112 -","8","2","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.0845","0.0696","","","0.1558","0.1633","","","","","","1.015","","","","has coordinates,has disorder","193065","2020-10-21","18:00:00",""
"4125690","20.4678","0.0007","7.5827","0.0003","32.8729","0.0011","90","","90","","90","","5101.9","0.3","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H33 B N2 O4 -","- C27 H33 B N2 O4 -","- C216 H264 B8 N16 O32 -","8","2","","McFadden, Timothy R.; Fang, Cheng; Geib, Steven J.; Merling, Everett; Liu, Peng; Curran, Dennis P.","Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate.","Journal of the American Chemical Society","2017","139","5","1726","1729","10.1021/jacs.6b09873","","","1.54178","CuKα","","0.1294","0.0964","","","0.2146","0.2282","","","","","","1.649","","","","has coordinates,has disorder","193087","2020-10-21","18:00:00",""
"4125744","16.3242","0.0003","6.3756","0.0001","28.92","0.002","90","","90","","90","","3009.9","0.2","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Schuppe, Alexander W.; Newhouse, Timothy R.","Assembly of the Limonoid Architecture by a Divergent Approach: Total Synthesis of (±)-Andirolide N via (±)-8α-Hydroxycarapin.","Journal of the American Chemical Society","2017","139","2","631","634","10.1021/jacs.6b12268","","","1.54187","CuKα","","0.0523","0.0486","","","0.1289","0.1329","","","","","","1.085","","","","has coordinates","193120","2020-10-21","18:00:00",""
"4126090","17.6222","0.0007","7.8352","0.0003","15.0574","0.0006","90","","90","","90","","2079.03","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H35 N Se -","- C22 H35 N Se -","- C88 H140 N4 Se4 -","4","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","","0.0564","0.0347","","","0.0571","0.0626","","","","","","1.02","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126224","14.5045","0.0008","32.977","0.002","20.6961","0.0011","90","","90","","90","","9899.3","1","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","mke005","","","- C44 H51 Cu2 F6 N8 O8.5 S2 -","- C44 H51 Cu2 F6 N8 O8.5 S2 -","- C352 H408 Cu16 F48 N64 O68 S16 -","8","2","","Koepke, Sara J.; Light, Kenneth M.; VanNatta, Peter E.; Wiley, Keaton M.; Kieber-Emmons, Matthew T","Electrocatalytic Water Oxidation by a Homogeneous Copper Catalyst Disfavors Single-Site Mechanisms.","Journal of the American Chemical Society","2017","139","25","8586","8600","10.1021/jacs.7b03278","","","0.71073","MoKα","","0.0482","0.0377","","","0.0912","0.0959","","","","","","1.039","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4126429","7.8872","0.0012","11.9464","0.0019","11.9276","0.0019","90","","90","","90","","1123.9","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 N10 O8 -","- C6 N10 O8 -","- C24 N40 O32 -","4","1","","Tang, Yongxing; Kumar, Dheeraj; Shreeve, Jean'ne M.","Balancing Excellent Performance and High Thermal Stability in a Dinitropyrazole Fused 1,2,3,4-Tetrazine.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08789","","","0.71073","MoKα","","0.0368","0.0348","","","0.0903","0.0923","","","","","","1.058","","","","has coordinates","201116","2020-10-21","18:00:00",""
"4126983","24.0142","0.0012","6.6165","0.0003","12.7599","0.0007","90","","90","","90","","2027.42","0.18","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C17 H22 B F3 N2 O5 S -","- C17 H22 B F3 N2 O5 S -","- C68 H88 B4 F12 N8 O20 S4 -","4","1","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.113","0.0656","","","0.1008","0.1189","","","","","","1.075","","","","has coordinates","204765","2020-10-21","18:00:00",""
"4127065","19.3278","0.0001","13.1158","0.0001","26.1296","0.0002","90","","90","","90","","6623.84","0.08","150","","150","","","","","","","","","8","P c a 21","P 2c -2ac","29","","[Rh(iPrXant)(H)2(H3BNMe3)][BArF4]","","- C62 H66 B2 F24 N O P2 Rh -","- C62 H66 B2 F24 N O P2 Rh -","- C248 H264 B8 F96 N4 O4 P8 Rh4 -","4","1","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","","1.5418","CuKα","","0.0409","0.04","","0.1049","0.1039","0.1048","","","","","","0.9794","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127069","15.6607","0.0004","14.8784","0.0005","36.9796","0.0012","90","","90","","90","","8616.5","0.5","100","2","100","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C31 H61 B3 Cl2 Ge N O P2 Si2 -","- C31 H61 B3 Cl2 Ge N O P2 Si2 -","- C248 H488 B24 Cl16 Ge8 N8 O8 P16 Si16 -","8","2","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","A Boron Analogue of Vinylidene Dication Supported by Phosphines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13068","","","0.71073","MoKα","","0.0672","0.0436","","","0.0834","0.0941","","","","","","1.017","","","","has coordinates,has disorder","205503","2020-10-21","18:00:00",""
"4127094","20.1183","0.0006","14.0176","0.0004","19.1001","0.0006","90","","90","","90","","5386.4","0.3","100","0.1","100","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C55.5 H47.25 F12 N5.75 O2 P2 -","- C55.5 H47.25 F12 N5.75 O2 P2 -","- C222 H189 F48 N23 O8 P8 -","4","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.1334","0.088","","","0.2059","0.2296","","","","","","1.011","","","","has coordinates,has disorder","205783","2020-10-21","18:00:00",""
"4127140","15.148","0.005","8.809","0.003","16.41","0.006","90","","90","","90","","2189.7","1.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cl2 N2 O5 -","- C20 H24 Cl2 N2 O5 -","- C80 H96 Cl8 N8 O20 -","4","1","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0527","0.0491","","","0.1429","0.1545","","","","","","1.096","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127250","19.568","0.003","13.466","0.0019","36.178","0.005","90","","90","","90","","9533","2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40.67 H22.33 B12 F20 N4 -","- C40.675 H22.325 B12 F20 N4 -","- C325.4 H178.6 B96 F160 N32 -","8","2","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","0.71073","MoKα","","0.1082","0.0623","","","0.1549","0.184","","","","","","0.932","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127551","21.403","0.001","10.1831","0.0005","21.2625","0.001","90","","90","","90","","4634.1","0.4","100","2","100.15","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C44 H79 B Co N2 O P3 Si -","- C44 H79 B Co N2 O P3 Si -","- C176 H316 B4 Co4 N8 O4 P12 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.7288","synchrotron","","0.0327","0.0289","","","0.0709","0.0797","","","","","","1.119","","","","has coordinates","220776","2020-10-21","18:00:00",""
"4127820","17.9193","0.0014","6.1437","0.0004","14.5047","0.0011","90","","90","","90","","1596.8","0.2","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H23 B N2 O4 -","- C14 H23 B N2 O4 -","- C56 H92 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0546","0.0418","","","0.0742","0.0776","","","","","","1.462","","","","has coordinates","220992","2020-10-21","18:00:00",""
"4128291","22.6754","0.0005","12.315","0.0007","24.0776","0.0007","90","","90","","90","","6723.6","0.5","99.99","0.1","99.99","0.1","","","","","","","","8","P c a 21","P 2c -2ac","29","neipn21","","","- C61 H92 Br0.6 Cl0.4 Fe Mg N5 O5 -","- C61 H92 Br0.598 Cl0.402 Fe Mg N5 O5 -","- C244 H368 Br2.392 Cl1.608 Fe4 Mg4 N20 O20 -","4","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","x-ray","1.54184","CuKα","","0.1008","0.0753","","","0.2054","0.2282","","","","","","1.052","","","","has coordinates,has disorder","221413","2020-10-21","18:00:00",""
"4128477","12.8407","0.0002","12.7885","0.0002","37.8214","0.0007","90","","90","","90","","6210.78","0.18","100","2","99.98","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H39 O6 P3 -","- C30 H39 O6 P3 -","- C240 H312 O48 P24 -","8","2","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0642","0.0503","","","0.116","0.1226","","","","","","1.117","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128694","19.979","0.004","8.1877","0.0016","14.542","0.003","90","","90","","90","","2378.8","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C21 H34 Cl N O2 P2 Ru -","- C21 H34 Cl N O2 P2 Ru -","- C84 H136 Cl4 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0147","0.0142","","","0.0354","0.0356","","","","","","1.033","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4129005","23.0483","0.0013","14.029","0.0009","27.3737","0.0018","90","","90","","90","","8851.1","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C47 H64 Co I2 N -","- C47 H64 Co I2 N -","- C376 H512 Co8 I16 N8 -","8","2","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0567","0.0405","","","0.0818","0.0897","","","","","","1.034","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129021","17.5887","0.0018","5.0205","0.0005","10.2381","0.0011","90","","90","","90","","904.07","0.16","240","2","240","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0765","0.0377","","","0.0735","0.0862","","","","","","1.019","","","","has coordinates","222028","2020-10-21","18:00:00",""
"4129213","17.589","","27.1959","","19.5849","","90","","90","","90","","9368.41","","123","","123","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C90 H137 N17 O3 -","- C89 H23 N17 O3 -","- C356 H92 N68 O12 -","4","1","","Richards, Gary J.; Cador, Aël; Yamada, Shinji; Middleton, Anna; Webre, Whitney A.; Labuta, Jan; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis; Kahlal, Samia; Halet, Jean-François; Hill, Jonathan P.","Amphiprotism-Coupled Near-Infrared Emission in Extended Pyrazinacenes Containing Seven Linearly Fused Pyrazine Units.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10952","","","1.54187","CuKα","","0.3446","0.1066","","","0.239","0.3173","","","","","","1.067","","","","has coordinates","231176","2020-10-21","18:00:00",""
"4129361","19.095","0.0013","23.0197","0.0014","15.498","0.0011","90","","90","","90","","6812.3","0.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C304 H368 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.136","0.0561","","","0.0724","0.089","","","","","","1.005","","","","has coordinates","240090","2020-10-21","18:00:00",""
"4129362","19.3436","0.0008","23.1535","0.0009","15.3598","0.0006","90","","90","","90","","6879.2","0.5","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C304 H368 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0862","0.0445","","","0.0897","0.1027","","","","","","1.534","","","","has coordinates","275248","2022-05-09","01:52:23",""
"4129417","14.1052","0.0004","9.7605","0.0003","28.102","0.0009","90","","90","","90","","3868.9","0.2","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","13273b","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C168 H160 N16 O40 S8 -","8","2","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0559","0.0484","","","0.1239","0.1299","","","","","","1.028","","","","has coordinates","240132","2020-10-21","18:00:00",""
"4129441","21.875","0.004","8.1455","0.0013","18.299","0.003","90","","90","","90","","3260.6","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4d","","- C37 H43 F5 N O -","- C37 H43 F5 N O -","- C148 H172 F20 N4 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","","0.71073","MoKα","","0.0702","0.0434","","","0.0802","0.0911","","","","","","1.011","","","","has coordinates","240156","2020-10-21","18:00:00",""
"4129549","13.2727","0.0006","12.2599","0.0006","14.2024","0.0006","90","","90","","90","","2311.04","0.18","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H38 Cl N O10 -","- C18 H38 Cl N O10 -","- C72 H152 Cl4 N4 O40 -","4","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Xiong, Jian-Bo; Tan, Yu-Hui; Wen, He-Rui","Unusual High-Temperature Reversible Phase-Transition Behavior, Structures, and Dielectric-Ferroelectric Properties of Two New Crown Ether Clathrates.","Journal of the American Chemical Society","2015","137","41","13345","13351","10.1021/jacs.5b08061","","","0.71073","MoKα","","0.0675","0.0464","","","0.1023","0.1162","","","","","","1.027","","","","has coordinates","240247","2020-10-21","18:00:00",""
"4129550","13.381","0.003","12.051","0.002","14.234","0.003","90","","90","","90","","2295.3","0.8","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H38 B F4 N O6 -","- C18 H38 B F4 N O6 -","- C72 H152 B4 F16 N4 O24 -","4","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Xiong, Jian-Bo; Tan, Yu-Hui; Wen, He-Rui","Unusual High-Temperature Reversible Phase-Transition Behavior, Structures, and Dielectric-Ferroelectric Properties of Two New Crown Ether Clathrates.","Journal of the American Chemical Society","2015","137","41","13345","13351","10.1021/jacs.5b08061","","","0.71073","MoKα","","0.0909","0.0706","","","0.1778","0.1923","","","","","","1.058","","","","has coordinates","240248","2020-10-21","18:00:00",""
"4129614","41.671","0.004","17.4453","0.0018","27.235","0.003","90","","90","","90","","19799","4","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C158 H198 Cl12 F24 N16 O35 Rh8 S8 -","- C145 H166 Cl10 F24 N16 O32 Rh8 S8 -","- C580 H664 Cl40 F96 N64 O128 Rh32 S32 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1016","0.0659","","","0.1529","0.1684","","","","","","0.995","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4130047","22.245","0.002","9.3234","0.0009","8.4228","0.0008","90","","90","","90","","1746.9","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Paul, Mathias; Breugst, Martin; Neudörfl, Jörg-Martin; Sunoj, Raghavan B.; Berkessel, Albrecht","Keto-Enol Thermodynamics of Breslow Intermediates.","Journal of the American Chemical Society","2016","138","15","5044","5051","10.1021/jacs.5b13236","","","0.71073","MoKα","","0.1319","0.0456","","","0.0673","0.0837","","","","","","0.818","","","","has coordinates","240639","2020-10-21","18:00:00",""
"4130295","9.9571","0.001","17.4414","0.0019","42.952","0.005","90","","90","","90","","7459.3","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C68 H60 N4 O10 -","- C68 H60 N4 O10 -","- C272 H240 N16 O40 -","4","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0935","0.0718","","","0.2008","0.2147","","","","","","1.037","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130358","16.2633","0.0006","9.9482","0.0003","15.9423","0.0011","90","","90","","90","","2579.3","0.2","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H30 F N3 O2 Pd S -","- C28 H30 F N3 O2 Pd S -","- C112 H120 F4 N12 O8 Pd4 S4 -","4","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0734","0.0714","","","0.1879","0.1895","","","","","","1.07","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130466","19.255","0.003","8.1379","0.0013","7.8604","0.0013","90","","90","","90","","1231.7","0.3","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H11 N9 O9 -","- C4 H11 N9 O9 -","- C16 H44 N36 O36 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.0271","0.0256","","","0.074","0.0769","","","","","","1.106","","","","has coordinates","240890","2020-10-21","18:00:00",""
"4130480","20.8335","0.0003","12.5143","0.0001","39.2291","0.0006","90","","90","","90","","10227.7","0.2","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C59 H61 B2 N5 O4 P Ru -","- C59 H61 B2 N5 O4 P Ru -","- C472 H488 B16 N40 O32 P8 Ru8 -","8","2","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0739","0.0697","","","0.1875","0.1906","","","","","","1.044","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4130610","11.417","0.002","29.009","0.005","15.317","0.003","90","","90","","90","","5072.9","1.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H42 N O P2 Rh -","- C24 H42 N O P2 Rh -","- C192 H336 N8 O8 P16 Rh8 -","8","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0447","0.0352","","","0.0772","0.0822","","","","","","0.987","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130783","14.6942","0.0018","9.3324","0.0009","11.6047","0.0014","90","","90","","90","","1591.4","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0592","0.0412","","","0.0854","0.0935","","","","","","1.003","","","","has coordinates","241152","2020-10-21","18:00:00",""
"4131160","20.4982","0.0014","10.1199","0.0002","17.0418","0.0003","90","","90","","90","","3535.1","0.3","85","2","85","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H15 B F3 N6 Ni -","- C16 H15 B F3 N6 Ni -","- C128 H120 B8 F24 N48 Ni8 -","8","2","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0442","0.044","","","0.1094","0.1096","","","","","","1.063","","","","has coordinates","241440","2020-10-21","18:00:00",""
"4131199","17.7644","0.0004","11.6635","0.0002","32.0041","0.0007","90","","90","","90","","6631.1","0.2","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C37 H46 N10 -","- C37 H46 N10 -","- C296 H368 N80 -","8","2","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.0731","0.0514","","","0.1123","0.1228","","","","","","1.031","","","","has coordinates","241462","2020-10-21","18:00:00",""
"4131284","41.7129","0.0008","7.0905","0.0001","17.3156","0.0003","90","","90","","90","","5121.35","0.15","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C54 H56 Br Cl2 N5 Ni O2 -","- C53 H54 Br N5 Ni O2 -","- C212 H216 Br4 N20 Ni4 O8 -","4","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Ruiz, Eliseo; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli.","Journal of the American Chemical Society","2017","139","27","9213","9220","10.1021/jacs.7b02945","","","1.54183","CuKα","","0.0519","0.0491","","","0.135","0.1373","","","","","","1.057","","","","has coordinates","241516","2020-10-21","18:00:00",""
"4132244","19.3145","0.0016","13.0291","0.0011","35.412","0.003","90","","90","","90","","8911.4","1.3","100","2","100.03","","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C43.83 H62.62 Fe Li N2 O2 P2 S Si -","- C43.834 H62.623 Fe Li N2 O2 P2 S Si -","- C350.672 H500.984 Fe8 Li8 N16 O16 P16 S8 Si8 -","8","2","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0628","0.052","","","0.1236","0.1284","","","","","","1.088","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132470","17.2894","0.0003","11.2213","0.0002","27.5815","0.0007","90","","90","","90","","5351.07","0.19","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52.5 H73 Cl N4 O6 S2 -","- C52.5 H73 Cl N4 O6 S2 -","- C210 H292 Cl4 N16 O24 S8 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","1.54184","CuKα","","0.0816","0.0724","","","0.1954","0.2057","","","","","","1.057","","","","has coordinates,has disorder","242443","2020-10-21","18:00:00",""
"4132506","17.7003","0.0008","12.0897","0.0006","8.2601","0.0004","90","","90","","90","","1767.59","0.15","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","1","","Bowring, Miriam A.; Bradshaw, Liam R.; Parada, Giovanny A.; Pollock, Timothy P.; Fernández-Terán, Ricardo J; Kolmar, Scott S.; Mercado, Brandon Q.; Schlenker, Cody W.; Gamelin, Daniel R.; Mayer, James M.","Activationless Multiple-Site Concerted Proton-Electron Tunneling.","Journal of the American Chemical Society","2018","140","24","7449","7452","10.1021/jacs.8b04455","","","1.54184","CuKα","","0.0772","0.0679","","","0.1546","0.1598","","","","","","1.157","","","","has coordinates","242480","2020-10-21","18:00:00",""
"4132559","17.0985","0.0011","13.5512","0.0009","21.4178","0.0014","90","","90","","90","","4962.6","0.6","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H59 Cr N2 P Si -","- C46 H59 Cr N2 P Si -","- C184 H236 Cr4 N8 P4 Si4 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0588","0.0424","","","0.1053","0.1155","","","","","","1.035","","","","has coordinates","242519","2020-10-21","18:00:00",""
"4132584","23.0483","0.0013","14.029","0.0009","27.3737","0.0018","90","","90","","90","","8851.1","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C47 H64 Co I2 N -","- C47 H64 Co I2 N -","- C376 H512 Co8 I16 N8 -","8","2","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","","0.0567","0.0405","","","0.0818","0.0897","","","","","","1.034","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132731","23.5019","0.0011","9.3504","0.0005","20.5286","0.0009","90","","90","","90","","4511.2","0.4","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C48 H40 B F15 Mo N2 P2 -","- C48 H40 B F15 Mo N2 P2 -","- C192 H160 B4 F60 Mo4 N8 P8 -","4","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.057","0.0371","","","0.0668","0.0726","","","","","","1.008","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132768","17.222","0.0006","9.8655","0.0004","20.9582","0.0008","90","","90","","90","","3560.9","0.2","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H20 Br2 O3 -","- C20 H20 Br2 O3 -","- C160 H160 Br16 O24 -","8","2","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0376","0.0324","","","0.0784","0.0813","","","","","","1.051","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4133130","13.9343","0.0003","5.64024","0.00015","10.3593","0.0003","90","","90","","90","","814.17","0.04","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H6 Cl2 N2 -","- C8 H6 Cl2 N2 -","- C32 H24 Cl8 N8 -","4","1","","Liu, Huiyu; Zhang, Weiguo; Halasyamani, P. Shiv; Stokes, Harold T.; Campbell, Branton J.; Evans, John S. O.; Evans, Ivana Radosavljevic","Understanding the Behavior of the Above-Room-Temperature Molecular Ferroelectric 5,6-Dichloro-2-methylbenzimidazole Using Symmetry Adapted Distortion Mode Analysis.","Journal of the American Chemical Society","2018","140","41","13441","13448","10.1021/jacs.8b08591","","","0.71073","MoKα","","0.03","0.0272","","0.0488","0.0456","0.0456","","","","","","1","","","","has coordinates","242966","2020-10-21","18:00:00",""
"4133148","17.745","0.004","10.235","0.002","7.8299","0.0016","90","","90","","90","","1422.1","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Br3.97 N2 Pb -","- C6 H16 Br3.969 N2 Pb -","- C24 H64 Br15.876 N8 Pb4 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0559","0.0452","","","0.1156","0.1284","","","","","","1.06","","","","has coordinates,has disorder","242983","2020-10-21","18:00:00",""
"4133153","14.3442","0.0006","13.0303","0.0005","21.5769","0.0009","90","","90","","90","","4032.9","0.3","223","2","223.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H52 Ba Cl N5 O14 -","- C33 H52 Ba Cl N5 O14 -","- C132 H208 Ba4 Cl4 N20 O56 -","4","1","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","","0.71073","MoKα","","0.0574","0.0347","","","0.0642","0.0706","","","","","","1.06","","","","has coordinates,has disorder","242988","2020-10-21","18:00:00",""
"4133354","21.8176","0.0002","10.7827","0.0001","27.5783","0.0003","90","","90","","90","","6487.87","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C68 H116 S2 Th2 -","- C68 H116 S2 Th2 -","- C272 H464 S8 Th8 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.03","0.0261","","","0.0489","0.0509","","","","","","1.024","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133397","21.4118","0.0005","12.0493","0.0002","39.1926","0.0008","90","","90","","90","","10111.6","0.4","200","1","200","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H52 Cl4 Ge2 N2 O4 Zn -","- C52 H52 Cl4 Ge2 N2 O4 Zn -","- C416 H416 Cl32 Ge16 N16 O32 Zn8 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0726","0.0486","","","0.1156","0.126","","","","","","1.023","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133573","28.293","0.003","12.726","0.0016","33.847","0.004","90","","90","","90","","12187","2","100","2","100.01","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C114 H169 Cl6 N19 Ni4 -","- C114 H169 Cl6 N19 Ni4 -","- C456 H676 Cl24 N76 Ni16 -","4","1","","Sun, Rui; Qin, Yangzhong; Ruccolo, Serge; Schnedermann, Christoph; Costentin, Cyrille; Daniel G Nocera, ?","Elucidation of a Redox-Mediated Reaction Cycle for Nickel-Catalyzed Cross Coupling.","Journal of the American Chemical Society","2019","141","1","89","93","10.1021/jacs.8b11262","","","0.71073","MoKα","","0.0832","0.06","","","0.1334","0.1421","","","","","","1.095","","","","has coordinates,has disorder","243330","2020-10-21","18:00:00",""
"4133592","20.66","0.02","10.256","0.012","25.26","0.03","90","","90","","90","","5352","10","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C216 H192 N16 O32 S16 -","8","2","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.1353","0.0942","","","0.2296","0.2934","","","","","","0.908","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4133602","18.8289","0.0002","15.5259","0.0002","17.5625","0.0002","90","","90","","90","","5134.14","0.1","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H58 Cl2 Ge N4 O Si2 -","- C45 H58 Cl2 Ge N4 O Si2 -","- C180 H232 Cl8 Ge4 N16 O4 Si8 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0432","0.0413","","","0.1096","0.1119","","","","","","1.029","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133919","8.0689","0.0002","19.1049","0.0005","8.649","0.0002","90","","90","","90","","1333.29","0.06","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H11 B F3 K O5 -","- C10 H11 B F3 K O5 -","- C40 H44 B4 F12 K4 O20 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0222","0.0221","","","0.0593","0.0593","","","","","","1.089","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133949","20.2079","0.0006","22.8871","0.0006","7.4713","0.0002","90","","90","","90","","3455.48","0.17","173","2","173.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44 H40 Si2 -","- C44 H40 Si2 -","- C176 H160 Si8 -","4","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","","1.54178","CuKα","","0.1514","0.1362","","","0.331","0.3447","","","","","","2.585","","","","has coordinates,has disorder","246838","2020-10-21","18:00:00",""
"4134076","12.2894","0.0002","8.5781","0.0001","16.1793","0.0002","90","","90","","90","","1705.62","0.04","180","0.12","180","0.12","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","1.54184","CuKα","","0.0328","0.0321","","","0.0866","0.0873","","","","","","1.057","","","","has coordinates","247310","2020-10-21","18:00:00",""
"4134100","13.1375","0.0009","7.6331","0.0005","17.7668","0.0011","90","","90","","90","","1781.7","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1151","0.0985","","","0.2697","0.2873","","","","","","1.002","","","","has coordinates","247478","2020-10-21","18:00:00",""
"4134101","13.1772","0.0009","7.6745","0.0005","17.759","0.002","90","","90","","90","","1795.9","0.3","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1267","0.1068","","","0.286","0.309","","","","","","1.002","","","","has coordinates","247479","2020-10-21","18:00:00",""
"4134102","13.1942","0.0012","7.7179","0.0006","17.793","0.003","90","","90","","90","","1811.9","0.4","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H13 B F4 N2 -","- C6 H13 B F4 N2 -","- C48 H104 B8 F32 N16 -","8","2","","Wei, Zhen-Hong; Jiang, Zhen-Tao; Zhang, Xiu-Xiu; Li, Ming-Li; Tang, Yuan-Yuan; Chen, Xiao-Gang; Cai, Hu; Xiong, Ren-Gen","Rational Design of Ceramic-Like Molecular Ferroelectric by Quasi-Spherical Theory.","Journal of the American Chemical Society","2020","142","4","1995","2000","10.1021/jacs.9b11665","","","0.71073","MoKα","","0.1281","0.1046","","","0.2894","0.3123","","","","","","1.003","","","","has coordinates","247480","2020-10-21","18:00:00",""
"4134130","26.8848","0.0011","18.2115","0.0008","28.4594","0.0013","90","","90","","90","","13934.1","1.1","90","","90","","","","","","","","","8","P c a 21","P 2c -2ac","29","","C75H72BCl8F4N4O3Ru","","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C75 H71 B Cl8 F4 N4 O3 Ru -","- C600 H568 B8 Cl64 F32 N32 O24 Ru8 -","8","2","","Zhang, Yutong; Diver, Steven T.","A Macrocyclic Ruthenium Carbene for Size-Selective Alkene Metathesis.","Journal of the American Chemical Society","2020","142","7","3371","3374","10.1021/jacs.0c00081","","","0.71073","MoKα","","0.0916","0.0687","","","0.1789","0.1981","","","","","","1.036","","","","has coordinates,has disorder","248710","2020-10-21","18:00:00",""
"4134154","13.359","0.0002","9.3701","0.0002","17.1113","0.0003","90","","90","","90","","2141.91","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H20 F3 N -","- C29 H20 F3 N -","- C116 H80 F12 N4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Zhang, Hao-Wen; Sun, Zhou; Zhu, Chunyin; Ye, Long-Wu","Ynamide Smiles Rearrangement Triggered by Visible-Light-Mediated Regioselective Ketyl-Ynamide Coupling: Rapid Access to Functionalized Indoles and Isoquinolines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13975","","x-ray","1.54184","CuKα","","0.0443","0.043","","","0.114","0.1165","","","","","","1.055","","","","has coordinates","248001","2020-10-21","18:00:00",""
"4134191","14.1237","0.0003","12.3532","0.0003","20.8073","0.0004","90","","90","","90","","3630.31","0.14","180","0.1","180","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0481","0.0417","","","0.1121","0.1188","","","","","","1.029","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134387","22.4784","0.0003","24.2398","0.0003","25.1777","0.0003","90","","90","","90","","13718.6","0.3","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C77 H67.5 N2.5 O4 Pr Si4 -","- C77 H67.5 N2.5 O4 Pr Si4 -","- C616 H540 N20 O32 Pr8 Si32 -","8","2","","Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella","Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.","Journal of the American Chemical Society","2020","142","12","5538","5542","10.1021/jacs.0c01204","","x-ray","0.71073","MoKα","","0.0472","0.0406","","","0.1008","0.1075","","","","","","1.076","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134740","28.313","0.002","18.0423","0.0009","8.0929","0.0004","90","","90","","90","","4134.1","0.4","150","0.1","150","0.1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C56 H54 -","- C56 H54 -","- C224 H216 -","4","1","","Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V.","Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01856","","x-ray","1.54184","CuKα","","0.153","0.1389","","","0.3553","0.3662","","","","","","1.465","","","","has coordinates","250862","2020-10-21","18:00:00",""
"4134862","19.8814","0.0014","5.9438","0.0004","21.4591","0.0015","90","","90","","90","","2535.8","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","wcp-8-165","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","Wang, Chengpeng; Naren, Nevin A.; Zheng, Pengfei; Dong, Guangbin","Intramolecular β-Alkenylation of Cyclohexanones via Pd-Catalyzed Desaturation-Mediated C(sp3)-H/Alkyne Coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02654","","","0.71073","MoKα","","0.1168","0.0779","","","0.1224","0.1333","","","","","","1.164","","","","has coordinates","251372","2020-10-21","18:00:00",""
"4134901","16.2807","0.0004","12.2181","0.0002","21.3944","0.0004","90","","90","","90","","4255.76","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18.5 H14 Cl F6 I O2 -","- C18.501 H14.002 Cl1.002 F6 I O2 -","- C148.008 H112.016 Cl8.016 F48 I8 O16 -","8","2","","Ding, Wei; Chai, Jinkui; Wang, Chen; Wu, Junliang; Yoshikai, Naohiko","Stereoselective Access to Highly Substituted Vinyl Ethers via <i>trans</i>-Difunctionalization of Alkynes with Alcohols and Iodine(III) Electrophile.","Journal of the American Chemical Society","2020","142","19","8619","8624","10.1021/jacs.0c04140","","","0.71073","MoKα","","0.1518","0.088","","","0.1499","0.174","","","","","","1.104","","","","has coordinates,has disorder","252607","2020-10-21","18:00:00",""
"4135007","20.027","0.003","12.0453","0.0016","18.935","0.003","90","","90","","90","","4567.7","1.2","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","2","","Baek, Yonghyeon; Cheong, Kiun; Ko, Gi Hoon; Han, Gi Uk; Han, Sang Hoon; Kim, Dongwook; Lee, Kooyeon; Lee, Phil Ho","Iridium-Catalyzed Cyclative Indenylation and Dienylation through Sequential B(4)-C Bond Formation, Cyclization, and Elimination from <i>o</i>-Carboranes and Propargyl Alcohols.","Journal of the American Chemical Society","2020","142","22","9890","9895","10.1021/jacs.0c02121","","","0.71073","MoKα","","0.0902","0.0728","","","0.1547","0.1658","","","","","","1.116","","","","has coordinates,has disorder","257114","2020-10-21","18:00:00",""
"4135220","32.979","0.005","18.11","0.003","25.513","0.005","90","","90","","90","","15238","5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C98 H96 O4 -","- C98 H96 O4 -","- C784 H768 O32 -","8","2","","Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin","Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07956","","","1.54184","CuKα","","0.1053","0.0827","","","0.2146","0.2355","","","","","","1.09","","","","has coordinates,has disorder","255763","2020-10-21","18:00:00",""
"4135524","22.8203","0.0006","8.8132","0.0003","31.8125","0.0009","90","","90","","90","","6398.1","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H30 B F9 N2 O -","- C36 H30 B F9 N2 O -","- C288 H240 B8 F72 N16 O8 -","8","2","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0376","0.033","","","0.0784","0.081","","","","","","1.029","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135579","9.2612","0.0004","19.9966","0.0009","9.1061","0.0004","90","","90","","90","","1686.38","0.13","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C68 H76 N4 O16 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0306","0.0289","","","0.0834","0.0844","","","","","","1.175","","","","has coordinates","261453","2021-02-04","00:39:43",""
"4135623","31.4363","0.0009","8.9581","0.0002","7.7402","0.0002","90","","90","","90","","2179.71","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H18 N4 O2 S -","- C27 H18 N4 O2 S -","- C108 H72 N16 O8 S4 -","4","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0389","0.0347","","","0.0744","0.0761","","","","","","1.044","","","","has coordinates","261488","2021-02-04","01:01:16",""
"4300090","18.475","0.002","14.965","0.004","16.469","0.0013","90","","90","","90","","4553.3","1.4","213","2","213","2","","","","","","","synthesis","5","P c a 21","P 2c -2ac","29","","","","- C47 H40 Cl2 Cr3 N12 -","- C47 H40 Cl2 Cr3 N12 -","- C188 H160 Cl8 Cr12 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual","Linear Trichromium Complexes with Direct Cr to Cr Contacts. 1. Compounds with Cr3(dipyridylamide)42+ Cores","Inorganic Chemistry","2000","39","","748","751","10.1021/ic990793u","","","0.71073","MoKα","","0.0628","0.0499","","0.1236","0.1127","","","","1.063","1.053","1.053","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300120","9.0246","0.0011","16.5198","0.0014","20.286","0.002","90","","90","","90","","3024.3","0.5","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C21 H36 Cl3 Cu Gd N2 O10 -","- C21 H36 Cl3 Cu Gd N2 O10 -","- C84 H144 Cl12 Cu4 Gd4 N8 O40 -","4","1","","Jean-Pierre Costes; Françoise Dahan; Arnaud Dupuis","Influence of Anionic Ligands (X) on the Nature and Magnetic Properties of Dinuclear LCuGdX3.nH2O Complexes (LH2 Standing for Tetradentate Schiff Base Ligands Deriving from 2-Hydroxy-3-methoxybenzaldehyde and X Being Cl, N3C2, and CF3COO)","Inorganic Chemistry","2000","39","","165","168","10.1021/ic990865h","","","0.71073","MoKα","","0.0314","0.021","","","0.0513","0.0553","","","","","","0.979","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300550","20.91","0.012","19.829","0.013","15.93","0.009","90","","90","","90","","6605","7","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C68 H84 B2 F8 N6 Pt2 S2 -","- C34 H42 B F4 N3 Pt S -","- C272 H336 B8 F32 N24 Pt8 S8 -","8","2","","Wei-Hsuan Chen; Eric W. Reinheimer; Kim R. Dunbar; Mohammed A. Omary","","Inorganic Chemistry","2006","","","","","10.1021/ic051518c","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300638","14.4725","0.0008","6.7259","0.0004","28.0429","0.0014","90","","90","","90","","2729.7","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cd7 Cl8 O17 Te7 -","- Cd7 Cl8 O17 Te7 -","- Cd28 Cl32 O68 Te28 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051703q","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4301128","23.823","","11.723","","17.431","","90","","90","","90","","4868.08","","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C46 H39 F6 Mn N12 O6 S2 -","- C46 H39 F6 Mn N12 O6 S2 -","- C184 H156 F24 Mn4 N48 O24 S8 -","4","1","","Qing Wang; Jianyong Zhang; Chun-Feng Zhuang; Yu Tang; Cheng-Yong Su","Guest Inclusion and Interpenetration Tuning of Cd(II)/Mn(II) Coordination Grid Networks Assembled from a Rigid Linear Diimidazole Schiff Base Ligand","Inorganic Chemistry","2009","48","","287","295","10.1021/ic801770n","","","0.71073","MoKα","","0.0547","0.0423","","","0.1047","0.1143","","","","","","1.027","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301133","14.1224","0.0006","18.5037","0.0011","20.4473","0.0009","90","","90","","90","","5343.2","0.5","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H46 F6 Mn N12 O6 S2 -","- C52 H46 F6 Mn N12 O6 S2 -","- C208 H184 F24 Mn4 N48 O24 S8 -","4","1","","Qing Wang; Jianyong Zhang; Chun-Feng Zhuang; Yu Tang; Cheng-Yong Su","Guest Inclusion and Interpenetration Tuning of Cd(II)/Mn(II) Coordination Grid Networks Assembled from a Rigid Linear Diimidazole Schiff Base Ligand","Inorganic Chemistry","2009","48","","287","295","10.1021/ic801770n","","","0.71073","MoKα","","0.097","0.0626","","","0.1579","0.1923","","","","","","1.058","","","","has coordinates,has disorder","179049","2020-10-21","18:00:00",""
"4301275","20.34","0.0012","9.0486","0.0005","7.4146","0.0005","90","","90","","90","","1364.65","0.14","90","2","90","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H12 O12 P2 V2 -","- C6 H12 O12 P2 V2 -","- C24 H48 O48 P8 V8 -","4","1","","Wayne Ouellette; Guangbin Wang; Hongxue Liu; Gordon T. Yee; Charles J. O'Connor; Jon Zubieta","The Hydrothermal and Structural Chemistry of Oxovanadium-Arylphosphonate Networks and Frameworks","Inorganic Chemistry","2009","48","","953","963","10.1021/ic801450m","","x-ray","0.71073","MoKα","","0.0341","0.0313","","","0.0722","0.0732","","","","","","0.997","","","","has coordinates","179050","2020-10-21","18:00:00",""
"4301542","23.2135","0.0002","8.6794","0.0001","17.2303","0.0001","90","","90","","90","","3471.55","0.05","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C34.95 H28.9 F6 N5 O3.15 P Ru -","- C34.95 H28.9 F6 N5 O3.15 P Ru -","- C139.8 H115.6 F24 N20 O12.6 P4 Ru4 -","4","1","","Sipke H. Wadman; Martin Lutz; Duncan M. Tooke; Anthony L. Spek; František Hartl; Remco W. A. Havenith; Gerard P. M. van Klink; Gerard van Koten","Consequences of N,C,N'- and C,N,N'-Coordination Modes on Electronic and Photophysical Properties of Cyclometalated Aryl Ruthenium(II) Complexes","Inorganic Chemistry","2009","48","","1887","1900","10.1021/ic801595m","","","0.71073","","","0.0387","0.0329","","","0.0877","0.0917","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301653","28.833","0.005","41.687","0.007","30.561","0.005","90","","90","","90","","36733","11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C120 H57 O31 Zn6 -","- C120 H57 O31 Zn6 -","- C480 H228 O124 Zn24 -","4","1","","Shuting Wu; Liqing Ma; La-Sheng Long; Lan-Sun Zheng; Wenbin Lin","Three-Dimensional Metal-Organic Frameworks Based on Functionalized Tetracarboxylate Linkers: Synthesis, Strucures, and Gas Sorption Studies","Inorganic Chemistry","2009","48","","2436","2442","10.1021/ic801631w","","","0.71073","MoKα","","0.194","0.0652","","","0.1513","0.174","","","","","","0.757","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301761","16.969","0.004","7.4951","0.0019","17.292","0.005","90","","90","","90","","2199.3","1","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H26 Br2 O2 Pd3 S2 -","- C18 H26 Br2 O2 Pd3 S2 -","- C72 H104 Br8 O8 Pd12 S8 -","4","1","","Frank L. Mulligan; Dominic C. Babbini; Isaac R. Davis; Stephanie K. Hurst; Gary S. Nichol","Monomers and Polymers of Tripalladium(0) Ditropylium Halides","Inorganic Chemistry","2009","48","","2708","2710","10.1021/ic8014578","","","0.71073","MoKα","","0.0461","0.0346","","","0.0806","0.0901","","","","","","1.091","","","","has coordinates,has disorder","179055","2020-10-21","18:00:00",""
"4302000","35.0136","0.0003","11.0802","0.0001","22.152","0.0002","90","","90","","90","","8594.04","0.13","150","2","150","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C81 H81.5 Au4 F12 Fe2 N2 O1.75 P6 S4 -","- C81 H81.5 Au4 F12 Fe2 N2 O1.75 P6 S4 -","- C324 H326 Au16 F48 Fe8 N8 O7 P24 S16 -","4","1","","Edward R. Knight; Nina H. Leung; Amber L. Thompson; G. Hogarth; James D. E. T. Wilton-Ely","Multimetallic Arrays: Bi-, Tri-, Tetra-, and Hexametallic Complexes Based on Gold(I) and Gold(III) and the Surface Functionalization of Gold Nanoparticles with Transition Metals","Inorganic Chemistry","2009","48","","3866","3874","10.1021/ic802442d","","","0.71073","MoKα","","0.0547","0.0415","","","0.0886","0.094","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4302171","14.049","0.003","5.7809","0.0014","13.021","0.003","90","","90","","90","","1057.5","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H8 Cu2 N8 O4 -","- C4 H8 Cu2 N8 O4 -","- C16 H32 Cu8 N32 O16 -","4","1","","Zi-Lu Chen; Chun-Fang Jiang; Wei-Hong Yan; Fu-Pei Liang; Stuart R. Batten","Three-Dimensional Metal Azide Coordination Polymers with Amino Carboxylate Coligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2009","48","","4674","4684","10.1021/ic802026n","","","0.71073","MoKα","","0.0232","0.0209","","","0.0505","0.0516","","","","","","1.06","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302454","20.329","0.004","17.45","0.003","17.352","0.003","90","","90","","90","","6155.5","1.9","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C63 H60 Al2 N6 P4 S4 -","- C63 H60 Al2 N6 P4 S4 -","- C252 H240 Al8 N24 P16 S16 -","4","1","","Jocelyn Alcántara-García; Vojtech Jancik; Joaquín Barroso; Sandra Hidalgo-Bonilla; Raymundo Cea-Olivares; Rubén A. Toscano; Mónica Moya-Cabrera","Coordination Diversity of Aluminum Centers Molded by Triazole Based Chalcogen Ligands","Inorganic Chemistry","2009","48","","5874","5883","10.1021/ic900166u","","","0.71073","MoKα","","0.0468","0.0412","","","0.0901","0.0932","","","","","","1.024","","","","has coordinates,has disorder","179062","2020-10-21","18:00:00",""
"4302457","18.963","0.003","18.529","0.002","17.96","0.002","90","","90","","90","","6310.5","1.4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60.81 H66.44 Al4 Cl1.19 N6 O4 P4 -","- C60.814 H66.442 Al4 Cl1.186 N6 O4 P4 -","- C243.256 H265.768 Al16 Cl4.744 N24 O16 P16 -","4","1","","Jocelyn Alcántara-García; Vojtech Jancik; Joaquín Barroso; Sandra Hidalgo-Bonilla; Raymundo Cea-Olivares; Rubén A. Toscano; Mónica Moya-Cabrera","Coordination Diversity of Aluminum Centers Molded by Triazole Based Chalcogen Ligands","Inorganic Chemistry","2009","48","","5874","5883","10.1021/ic900166u","","","0.71073","MoKα","","0.0693","0.0534","","","0.1082","0.1156","","","","","","0.999","","","","has coordinates,has disorder","179062","2020-10-21","18:00:00",""
"4302665","21.016","0.009","10.055","0.004","17.318","0.006","90","","90","","90","","3660","2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H44 B2 Cu F8 N6 O -","- C35 H44 B2 Cu F8 N6 O -","- C140 H176 B8 Cu4 F32 N24 O4 -","4","1","","Peter Comba; Christina Haaf; Hubert Wadepohl","Novel Bispidine Ligands and Their First-Row Transition Metal Complexes: Trigonal Bipyramidal and Trigonal Prismatic Geometries","Inorganic Chemistry","2009","48","","6604","6614","10.1021/ic900571v","","x-ray","0.71073","MoKα","","0.1015","0.0528","","","0.114","0.148","","","","","","1.092","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302957","12.8267","0.0009","21.558","0.004","20.102","0.005","90","","90","","90","","5558.6","1.8","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C65 H36 Cl2 F4 N8 Na O9 Yb -","- C65 H36 Cl2 F4 N8 Na O9 Yb -","- C260 H144 Cl8 F16 N32 Na4 O36 Yb4 -","4","1","","Nail M. Shavaleev; Rosario Scopelliti; Frédéric Gumy; Jean-Claude G. Bünzli","Surprisingly Bright Near-Infrared Luminescence and Short Radiative Lifetimes of Ytterbium in Hetero-Binuclear Yb-Na Chelates","Inorganic Chemistry","2009","48","","7937","7946","10.1021/ic900888m","","","0.71073","MoKα","","0.0467","0.0351","","","0.0787","0.0869","","","","","","1.128","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4302978","31.7475","0.0008","13.1008","0.0004","27.9322","0.0009","90","","90","","90","","11617.5","0.6","123","1","123","1","","","","","","","","8","P c a 21","P 2c -2ac","29","[Pd2(dppp)2(4,4'-bipy)(LmXy)].4(OTf)","[Pd2(dppp)2(4,4'-bipy)(LmXy)].4(OTf)","","- C92 H80 F12 N8 O12 P4 Pd2 S4 -","- C92 H80 F12 N8 O12 P4 Pd2 S4 -","- C368 H320 F48 N32 O48 P16 Pd8 S16 -","4","1","","Jinzhen Lu; David R. Turner; Lindsay P. Harding; Stuart R. Batten","Heteroligand Molecular ""Stirrups"" Using Conformationally Flexible Ditopic Pyridyl-Pyrazolyl Ligands","Inorganic Chemistry","2009","48","","7525","7527","10.1021/ic9010967","","","0.71073","MoKα","","0.1405","0.092","","","0.23","0.2651","","","","","","0.83","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4303045","15.9428","0.0012","5.4341","0.0004","16.4442","0.0012","90","","90","","90","","1424.64","0.18","150","1","150","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H12 Ag B F4 N4 -","- C13 H12 Ag B F4 N4 -","- C52 H48 Ag4 B4 F16 N16 -","4","1","","Brendan J. Liddle; Daniel Hall; Sergey V. Lindeman; Mark D. Smith; James R. Gardinier","Manipulating Self-Assembly in Silver(I) Complexes of 1,3-Di-N-pyrazolylorganyls","Inorganic Chemistry","2009","48","","8404","8414","10.1021/ic900982m","","","0.71073","MoKα","","0.0293","0.0281","","","0.072","0.0731","","","","","","1.031","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303046","26.0275","0.0013","10.3533","0.0005","25.1928","0.0013","90","","90","","90","","6788.7","0.6","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H30 Ag2 B2 F8 N8 O -","- C29 H30 Ag2 B2 F8 N8 O -","- C232 H240 Ag16 B16 F64 N64 O8 -","8","2","","Brendan J. Liddle; Daniel Hall; Sergey V. Lindeman; Mark D. Smith; James R. Gardinier","Manipulating Self-Assembly in Silver(I) Complexes of 1,3-Di-N-pyrazolylorganyls","Inorganic Chemistry","2009","48","","8404","8414","10.1021/ic900982m","","","0.71073","MoKα","","0.0461","0.0384","","","0.0889","0.0915","","","","","","0.966","","","","has coordinates,has disorder","179068","2020-10-21","18:00:00",""
"4303219","13.3345","0.0011","12.5181","0.0011","14.8054","0.0013","90","","90","","90","","2471.4","0.4","220","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H21 Cl2 Mn N6 O9 -","- C20 H21 Cl2 Mn N6 O9 -","- C80 H84 Cl8 Mn4 N24 O36 -","4","1","","C. Gianna Hoffman-Luca; Aura A. Eroy-Reveles; Jose Alvarenga; Pradip K. Mascharak","Syntheses, Structures, and Photochemistry of Manganese Nitrosyls Derived from Designed Schiff Base Ligands: Potential NO Donors That Can Be Activated by Near-Infrared Light","Inorganic Chemistry","2009","48","","9104","9111","10.1021/ic900604j","","","0.71073","MoKα","","0.0589","0.0528","","","0.1498","0.1573","","","","","","1.052","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303356","24.258","0.002","9.7728","0.0009","17.423","0.0017","90","","90","","90","","4130.4","0.7","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C48 H38 F2 Fe N3 O4 P2 -","- C48 H38 F2 Fe N3 O4 P2 -","- C192 H152 F8 Fe4 N12 O16 P8 -","4","1","","Tsai, Ming-Che; Tsai, Fu-Te; Lu, Tsai-Te; Tsai, Ming-Li; Wei, Yin-Ching; Hsu, I-Jui; Lee, Jyh-Fu; Liaw, Wen-Feng","Relative Binding Affinity of Thiolate, Imidazolate, Phenoxide, and Nitrite Toward the {Fe(NO)2} Motif of Dinitrosyl Iron Complexes (DNICs): The Characteristic Pre-Edge Energy of {Fe(NO)2}9DNICs","Inorganic Chemistry","2009","48","19","9579","9591","10.1021/ic901675p","","","0.71073","MoKα","","0.0411","0.0363","","","0.0843","0.0874","","","","","","1.044","","","","has coordinates","210352","2020-10-21","18:00:00",""
"4303545","13.383","0.002","17.884","0.002","13.509","0.003","90","","90","","90","","3233.3","0.9","110","","110","","","","","","","","local laboratory","5","P c a 21","P 2c -2ac","29","Trimethoxy-methyl-acetyl-p-nitrophenyl-dioxaphospholane","(4RS,5RS)-4-acetyl-4-methyl-5-(4-nitrophenyl)- 2,2,2-trimethoxy-1,3,2-dioxaphospholane","","- C14 H20 N O8 P -","- C14 H20 N O8 P -","- C112 H160 N8 O64 P8 -","8","2","","Yixun Zhang; Andrew W. Maverick","Preparation of an Isocyano-β-diketone via its Metal Complexes, by Use of Metal Ions as Protecting Groups","Inorganic Chemistry","2009","48","","10512","10518","10.1021/ic900202e","","","0.71073","MoKα","","0.0256","0.0233","","","0.0612","0.0629","","","","","","1.035","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4303689","22.67","0.004","16.086","0.003","15.833","0.003","90","","90","","90","","5773.8","1.8","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C55 H47 F12 N7 O11 Zn2 -","- C55 H47 F12 N7 O11 Zn2 -","- C220 H188 F48 N28 O44 Zn8 -","4","1","","Wenbin Yang; Xiang Lin; Alexander J. Blake; Claire Wilson; Peter Hubberstey; Neil R. Champness; Martin Schröder","Self-Assembly of Metal-Organic Coordination Polymers Constructed from a Bent Dicarboxylate Ligand: Diversity of Coordination Modes, Structures, and Gas Adsorption","Inorganic Chemistry","2009","48","","11067","11078","10.1021/ic901429u","","","0.71073","MoKα","","0.0806","0.074","","","0.1508","0.1545","","","","","","1.199","","","","has coordinates,has disorder","179074","2020-10-21","18:00:00",""
"4303740","22.44","0.0007","5.2048","0.0002","13.8475","0.0004","90","","90","","90","","1617.33","0.09","173","","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H8 Ag2 N4 O9 Re -","- C10 H8 Ag2 N4 O9 Re -","- C40 H32 Ag8 N16 O36 Re4 -","4","1","","Haisheng Lin; Xiaomeng Wu; Paul A. Maggard","Ligand-Based Modification of the Structures and Optical Properties of New Silver(I)-Rhenate(VII) Oxide/Organic Hybrid Solids","Inorganic Chemistry","2009","48","","11265","11276","10.1021/ic901749r","","","0.7107","MoKα","","0.0335","0.0252","","","0.0543","0.0567","","","","","","1.07","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303743","16.886","0.003","5.3754","0.0008","9.4435","0.0014","90","","90","","90","","857.2","0.2","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- F4 S W -","- F4 S W -","- F32 S8 W8 -","8","2","","Jared Nieboer; William Hillary; Xin Yu; Hélène P. A. Mercier; Michael Gerken","Syntheses, Characterization, and Computational Study of WSF4 and WSF4.CH3CN","Inorganic Chemistry","2009","48","","11251","11258","10.1021/ic901752w","","","0.71073","MoKα","","0.023","0.0201","","","0.0412","0.0422","","","","","","1.015","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303908","12.3662","0.0006","22.5993","0.0012","15.0562","0.0008","90","","90","","90","","4207.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P c a 21","P 2c -2ac","29","","","","- C34 H58 Cl2 N6 O14 Pb -","- C34 H58 Cl2 N6 O14 Pb -","- C136 H232 Cl8 N24 O56 Pb4 -","4","1","","Raquel Ferreirós-Martínez; David Esteban-Gómez; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Eight-Coordinate Zn(II), Cd(II), and Pb(II) Complexes Based on a 1,7-Diaza-12-crown-4 Platform Endowed with a Remarkable Selectivity over Ca(II)","Inorganic Chemistry","2009","48","","11821","11831","10.1021/ic901883h","","x-ray","0.71073","MoKα","","0.0931","0.0494","","","0.0973","0.1131","","","","","","1.039","","","","has coordinates,has disorder","179077","2020-10-21","18:00:00",""
"4304066","7.8564","0.0014","9.1471","0.0008","13.3661","0.0016","90","","90","","90","","960.5","0.2","250","2","250","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H12 N6 O -","- C7 H12 N6 O -","- C28 H48 N24 O4 -","4","1","","Lucie Norel; Fabrice Pointillart; Cyrille Train; Lise-Marie Chamoreau; Kamal Boubekeur; Yves Journaux; Aaron Brieger; David J. R. Brook","Imidazole-Substituted Oxoverdazyl Radical As a Mediator of Intramolecular and Intermolecular Exchange Interaction","Inorganic Chemistry","2008","47","","2396","2403","10.1021/ic701400b","","","0.71073","MoKα","","0.0669","0.0402","","","0.0912","0.101","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304107","8.243","0.003","15.427","0.006","14.466","0.005","90","","90","","90","","1839.6","1.2","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","[Ni(3-MeOtsalamo)]","","","- C18 H18 N2 Ni O4 S2 -","- C18 H18 N2 Ni O4 S2 -","- C72 H72 N8 Ni4 O16 S8 -","4","1","","Shigehisa Akine; Ayako Akimoto; Takuya Shiga; Hiroki Oshio; Tatsuya Nabeshima","Synthesis, Stability, and Complexation Behavior of Isolable Salen-Type N2S2 and N2SO Ligands Based on Thiol and Oxime Functionalities","Inorganic Chemistry","2008","47","","875","885","10.1021/ic701525c","","","0.71069","MoKα","","0.0209","0.0202","","","0.0476","0.0481","","","","","","1.094","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304204","23.337","0.003","16.667","0.002","14.9432","0.0019","90","","90","","90","","5812.3","1.3","130","2","130","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C22 H51 Cl Mn N2 P2 Si -","- C22 H51 Cl Mn N2 P2 Si -","- C176 H408 Cl8 Mn8 N16 P16 Si8 -","8","2","","Wayne A. Chomitz; Seth F. Mickenberg; John Arnold","First-Row Transition Metal-Halide Complexes Supported by a Monoanionic [N2P2] Ligand","Inorganic Chemistry","2008","47","","373","380","10.1021/ic701670u","","","0.71073","MoKα","","0.0648","0.0455","","","0.0967","0.1019","","","","","","1.293","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304285","15.9492","0.0013","35.895","0.003","13.9089","0.0011","90","","90","","90","","7962.8","1.1","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C69 H96 Cl4 N8 Ni8 O21 -","- C69 H91 Cl4 N8 Ni8 O21 -","- C276 H364 Cl16 N32 Ni32 O84 -","4","1","","Shane G. Telfer; Nyree D. Parker; Reiko Kuroda; Takunori Harada; Julie Lefebvre; Daniel B. Leznoff","Helicates, Boxes, and Polymers from Simple Pyridine-Alcohol Ligands: the Impact of the Identity of the Transition Metal Ion","Inorganic Chemistry","2008","47","","209","218","10.1021/ic701757e","","","0.71073","MoKα","","0.0776","0.0575","","","0.132","0.1391","","","","","","1.027","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304439","14.483","0.0008","5.9165","0.0004","18.3195","0.0009","90","","90","","90","","1569.77","0.16","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H22 Fe N3 O P -","- C17 H22 Fe N3 O P -","- C68 H88 Fe4 N12 O4 P4 -","4","1","","Gene W. Wong; Wei-Chih Lee; Brian J. Frost","Insertion of CO2, Ketones, and Aldehydes into the C-Li Bond of 1,3,5-Triaza-7-phosphaadamantan-6-yllithium","Inorganic Chemistry","2008","47","","612","620","10.1021/ic701936x","","","0.71073","MoKα","","0.1014","0.0616","","","0.0831","0.0933","","","","","","1.028","","","","has coordinates","179082","2020-10-21","18:00:00",""
"4304707","18.903","0.008","7.472","0.004","12.801","0.006","90","","90","","90","","1808.1","1.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H3 B F17 N Xe -","- C12 H3 B F17 N Xe -","- C48 H12 B4 F68 N4 Xe4 -","4","1","","Karsten Koppe; Hermann-J. Frohn; Hélène P. A. Mercier; Gary J. Schrobilgen","[C6F5Xe]+ and [C6F5XeNCCH3]+ Salts of the Weakly Coordinating Borate Anions, [BY4]- (Y = CN, CF3, or C6F5)","Inorganic Chemistry","2008","47","","3205","3217","10.1021/ic702259c","","","0.71073","MoKα","","0.1124","0.0356","","","0.0421","0.0469","","","","","","0.789","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4304975","27.162","0.014","11.62","0.006","37.572","0.018","90","","90","","90","","11859","10","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C99 H141 B30 N6 Rh3 S9 -","- C99 H141 B30 N6 Rh3 S9 -","- C396 H564 B120 N24 Rh12 S36 -","4","1","","Guo-Liang Wang; Yue-Jian Lin; Olivier Blacque; Heinz Berke; Guo-Xin Jin","Helical Supramolecular Assemblies of {2,4,6-[Cp*Rh(E2-1,2-C2B10H10)(NC5H4CH2S)]3(triazine)} (E = S, Se) Shaped by Cp*-Toluene-Cp* π-Stacking Forces and BH-Pyridine Hydrogen Bonding","Inorganic Chemistry","2008","47","","2940","2942","10.1021/ic800105h","","","0.71073","MoKα","","0.1455","0.0692","","","0.1078","0.1319","","","","","","0.993","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304976","27.236","0.012","11.679","0.005","37.537","0.016","90","","90","","90","","11940","9","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C99 H141 B30 N6 Rh3 S3 Se6 -","- C99 H141 B30 N6 Rh3 S3 Se6 -","- C396 H564 B120 N24 Rh12 S12 Se24 -","4","1","","Guo-Liang Wang; Yue-Jian Lin; Olivier Blacque; Heinz Berke; Guo-Xin Jin","Helical Supramolecular Assemblies of {2,4,6-[Cp*Rh(E2-1,2-C2B10H10)(NC5H4CH2S)]3(triazine)} (E = S, Se) Shaped by Cp*-Toluene-Cp* π-Stacking Forces and BH-Pyridine Hydrogen Bonding","Inorganic Chemistry","2008","47","","2940","2942","10.1021/ic800105h","","","0.71073","MoKα","","0.1175","0.0616","","","0.1107","0.1278","","","","","","1.061","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304992","39.306","0.005","15.355","0.002","26.803","0.004","90","","90","","90","","16177","4","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C225 H360 Mn38 O123 P12 -","- C225 H360 Mn38 O123 P12 -","- C450 H720 Mn76 O246 P24 -","2","0.5","","Sanjit Konar; Abraham Clearfield","Solvothermal Synthesis and Characterization of Two High-Nuclearity Mixed-Valent Manganese Phosphonate Clusters","Inorganic Chemistry","2008","47","","3489","3491","10.1021/ic8001493","","","0.71073","MoKα","","0.0984","0.062","","","0.1383","0.1588","","","","","","1.07","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305467","22.827","0.005","12.115","0.002","18.502","0.004","90","","90","","90","","5116.7","1.8","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C48 H73 Cl O2 P4 Pt2 Si2 -","- C48 H73 Cl O2 P4 Pt2 Si2 -","- C192 H292 Cl4 O8 P16 Pt8 Si8 -","4","1","","Edward E. Korshin; Gregory Leitus; Linda J. W. Shimon; Leonid Konstantinovski; David Milstein","Silanol-Based Pincer Pt(II) Complexes: Synthesis, Structure, and Unusual Reactivity","Inorganic Chemistry","2008","47","","7177","7189","10.1021/ic800457u","","","0.71073","MoKα","","0.0458","0.0378","","","0.0635","0.0656","","","","","","1.038","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305498","19.2126","0.0003","9.9381","0.0002","21.4194","0.0004","90","","90","","90","","4089.75","0.13","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H32 Mn3 N12 O12 -","- C38 H24 Mn3 N12 O11.596 -","- C152 H96 Mn12 N48 O46.384 -","4","1","","Yan-Feng Yue; Jue Liang; En-Qing Gao; Chen-Jie Fang; Zheng-Guang Yan; Chun-Hua Yan","Supramolecular Engineering of a 2D Kagomé Lattice: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2008","47","","6115","6117","10.1021/ic800497n","","","0.71073","MoKα","","0.0975","0.0385","","","0.0662","0.0743","","","","","","0.878","","","","has coordinates,has disorder","179092","2020-10-21","18:00:00",""
"4305734","19.794","0.007","14.692","0.004","18.587","0.005","90","","90","","90","","5405","3","180","2","180","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C50 H43 F N O18 P5 V4 -","- C50 H43 F N O18 P5 V4 -","- C200 H172 F4 N4 O72 P20 V16 -","4","1","","Jabor K. Jabor; Reinhard Stösser; Michael Feist; Petra Neubauer; Manfred Meisel","New Directions in the Preparation and Redox Chemistry of Fluoride-Templated Tetranuclear Vanadium Phosphonate Cage Compounds, Mn+[(V2O3)2(RPO3)4@F]n","Inorganic Chemistry","2008","47","","9293","9302","10.1021/ic800707v","","","0.71073","MoKα","","0.0337","0.0263","","","0.0561","0.0581","","","","","","0.963","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305873","10.3641","0.0011","9.4025","0.001","9.2553","0.001","90","","90","","90","","901.91","0.17","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Jorge Cruz-Huerta; Manuel Carillo-Morales; Ericka Santacruz-Juárez; Irán F. Hernández-Ahuactzi; Jaime Escalante-García; Carolina Godoy-Alcantar; Jorge A. Guerrero-Alvarez; Herbert Höpfl; Hugo Morales-Rojas; Mario Sánchez","Macrocyclic Diorganotin Complexes of γ-Amino Acid Dithiocarbamates as Hosts for Ion-Pair Recognition","Inorganic Chemistry","2008","47","","9874","9885","10.1021/ic8007987","","","0.71073","MoKα","","0.0669","0.0645","","","0.1262","0.1269","","","","","","1.492","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4305972","13.9322","0.0011","16.2332","0.0013","14.6794","0.0008","90","","90","","90","","3320","0.4","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H43 Cl3 Mn2 N8 O15 -","- C18 H43 Cl3 Mn2 N8 O15 -","- C72 H172 Cl12 Mn8 N32 O60 -","4","1","","Jonathan P. Hill; Humberto Palza; Sher Alam; Katsuhiko Ariga; Amy Lea Schumacher; Francis D'Souza; Christopher E. Anson; Annie K. Powell","Decomposition of Dinuclear Manganese Complexes for the Preparation of Nanostructured Oxide Materials","Inorganic Chemistry","2008","47","","8306","8314","10.1021/ic8008915","","","0.71073","MoKα","","0.0977","0.0477","","","0.0779","0.0838","","","","","","0.964","","","","has coordinates,has disorder","179097","2020-10-21","18:00:00",""
"4306021","25.319","0.002","19.1907","0.0014","18.3944","0.0013","90","","90","","90","","8937.6","1.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","[Fe(OEP)(2-MeHIm)](1,10-phenathroline)","","","- C104 H116 Fe2 N16 -","- C104 H116 Fe2 N16 -","- C416 H464 Fe8 N64 -","4","1","","Chuanjiang Hu; Bruce C. Noll; Charles E. Schulz; W. Robert Scheidt","Hydrogen Bonding Influence of 1,10-Phenanthroline on Five-Coordinate High-Spin Imidazole-Ligated Iron(II) Porphyrinates","Inorganic Chemistry","2008","47","","8884","8895","10.1021/ic8009496","","","0.71073","MoKα","","0.0605","0.0499","","","0.1228","0.1292","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4306034","12.744","0.003","12.33","0.003","17.508","0.004","90","","90","","90","","2751.1","1.1","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H38 Ag2 N8 Ni O -","- C20 H38 Ag2 N8 Ni O -","- C80 H152 Ag8 N32 Ni4 O4 -","4","1","","Xiao-Dan Zheng; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","The Supramolecular Isomerism Based on Argentophilic Interactions: The Construction of Helical Chains with Defined Right-Handed and Left-Handed Helicity","Inorganic Chemistry","2008","47","","10858","10865","10.1021/ic8009578","","","0.71073","MoKα","","0.0838","0.0453","","","0.0922","0.1175","","","","","","1.059","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4306086","11.138","0.002","11.5039","0.0019","10.857","0.002","90","","90","","90","","1391.1","0.4","143","1","143","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H16 B10 -","- C10 H16 B10 -","- C40 H64 B40 -","4","1","","Yuqi Li; Patrick J. Carroll; Larry G. Sneddon","Ionic-Liquid-Promoted Decaborane Dehydrogenative Alkyne-Insertion Reactions: A New Route to o-Carboranes","Inorganic Chemistry","2008","47","","9193","9202","10.1021/ic800999y","","","0.7107","MoKα","","0.0507","0.0457","","","0.1149","0.1218","","","","","","1.041","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4306573","36.2101","0.0006","7.6163","0.0001","18.0859","0.0003","90","","90","","90","","4987.86","0.13","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Cl3 Eu N4 O3 -","- C24 H22 Cl3 Eu N4 O3 -","- C192 H176 Cl24 Eu8 N32 O24 -","8","2","","Lada N. Puntus; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Jean-Claude G. Bünzli","Role of Inner- and Outer-Sphere Bonding in the Sensitization of EuIII-Luminescence Deciphered by Combined Analysis of Experimental Electron Density Distribution Function and Photophysical Data","Inorganic Chemistry","2008","47","","11095","11107","10.1021/ic801402u","","","0.71073","MoKα","","0.0386","0.0308","","","0.0598","0.0627","","","","","","1.016","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306589","20.86207","0.00014","15.95524","0.00013","15.0918","0.00011","90","","90","","90","","5023.45","0.06","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H27 I3 N4 O Zn2 -","- C17 H27 I3 N4 O Zn2 -","- C136 H216 I24 N32 O8 Zn16 -","8","2","","Paul D. Knight; Andrew J. P. White; Charlotte K. Williams","Dinuclear Zinc Complexes Using Pentadentate Phenolate Ligands","Inorganic Chemistry","2008","47","","11711","11719","10.1021/ic8014173","","","0.71073","MoKα","","0.0331","0.0272","","","0.0664","0.0715","","","","","","1.061","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306899","27.5938","0.0018","11.9743","0.0008","13.3408","0.0009","90","","90","","90","","4408","0.5","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C37 H33 B Cl F20 P4 W -","- C37 H33 B Cl F20 P4 W -","- C148 H132 B4 Cl4 F80 P16 W4 -","4","1","","Edwin F. van der Eide; Warren E. Piers; Masood Parvez; Robert McDonald","Synthesis and Characterization of Cationic Tungsten(V) Methylidynes","Inorganic Chemistry","2007","46","","14","21","10.1021/ic0611342","","","0.71073","MoKα","","0.0304","0.0243","","","0.0528","0.0548","","","","","","1.007","","","","has coordinates,has disorder","179106","2020-10-21","18:00:00",""
"4306915","10.2646","0.0003","24.5437","0.0008","25.2894","0.0008","90","","90","","90","","6371.2","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H30 Au Cl N3 O3 P -","- C35 H30 Au Cl N3 O3 P -","- C280 H240 Au8 Cl8 N24 O24 P8 -","8","2","","Sean E. Durran; Mark R. J. Elsegood; Shelly R. Hammond; Martin B. Smith","Coordination Studies of a New Unsymmetrical κ4-PNN'N''-Tetradentate Ligand: Stepwise Formation and Structural Characterization","Inorganic Chemistry","2007","46","","2755","2766","10.1021/ic061196s","","","0.71073","MoKα","","0.0608","0.0368","","","0.0671","0.0773","","","","","","1.054","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4306970","18.257","0.01","9.167","0.005","6.866","0.004","90","","90","","90","","1149.1","1.1","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H8 Cl2 N2 Pt -","- C12 H8 Cl2 N2 Pt -","- C48 H32 Cl8 N8 Pt4 -","4","1","","Adam L. Grzesiak; Adam J. Matzger","Selection and Discovery of Polymorphs of Platinum Complexes Facilitated by Polymer-Induced Heteronucleation","Inorganic Chemistry","2007","46","","453","457","10.1021/ic061323k","","","0.71073","MoKα","","0.034","0.0251","","","0.0561","0.0585","","","","","","1.104","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4307170","20.948","0.009","10.025","0.004","34.381","0.015","90","","90","","90","","7220","5","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H27 B Br6 Cl2 Cu N7 -","- C33 H27 B Br6 Cl2 Cu N7 -","- C264 H216 B8 Br48 Cl16 Cu8 N56 -","8","2","","Glen P. A. Yap; Fernando Jove; Juan Urbano; Eleuterio Alvarez; Swiatoslaw Trofimenko; M. Mar Díaz-Requejo; Pedro J. Pérez","Unusual Polybrominated Polypyrazolylborates and Their Copper(I) Complexes: Synthesis, Characterization, and Catalytic Activity","Inorganic Chemistry","2007","46","","780","787","10.1021/ic061714z","","","0.71073","MoKα","","0.1117","0.0565","","","0.1204","0.14","","","","","","1.03","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4307259","26.076","0.003","9.732","0.001","33.932","0.004","90","","90","","90","","8611","1.7","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","cis-Dichloro[bis(2-diphenylphosphinophenyl)ether- κP:κP'](2,2'-bipyridyl-κN:κN')ruthenium(II) Dichloromethane solvate","","- C47 H38 Cl4 N2 O P2 Ru -","- C47 H38 Cl4 N2 O P2 Ru -","- C376 H304 Cl32 N16 O8 P16 Ru8 -","8","2","","Ramalingam Venkateswaran; Joel T. Mague; Maravanji S. Balakrishna","Ruthenium(II) Complexes Containing Bis(2-(diphenylphosphino)phenyl) Ether and Their Catalytic Activity in Hydrogenation Reactions","Inorganic Chemistry","2007","46","","809","817","10.1021/ic061782l","","","0.71073","MoKα","","0.152","0.105","","","0.2511","0.2797","","","","","","1.093","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4307625","14.6611","0.0005","10.4632","0.0004","13.3745","0.0005","90","","90","","90","","2051.68","0.13","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(Py3P)Ru(NO)(Cl)","","","- C21 H19 Cl N6 O3 Ru -","- C21 H19 Cl N6 O3 Ru -","- C84 H76 Cl4 N24 O12 Ru4 -","4","1","","Michael J. Rose; Apurba K. Patra; Eric A. Alcid; Marylin M. Olmstead; Pradip K. Mascharak","Ruthenium Nitrosyls Derived from Polypyridine Ligands with Carboxamide or Imine Nitrogen Donor(s): Isoelectronic Complexes with Different NO Photolability","Inorganic Chemistry","2007","46","","2328","2338","10.1021/ic0620945","","","0.71073","MoKα","","0.0177","0.0174","","","0.046","0.0462","","","","","","1.024","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307839","16.617","0.004","11.409","0.002","21.955","0.003","90","","90","","90","","4162.3","1.4","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","[LZn3La(NO3)3(MeOH)2]","","","- C32 H32 La N9 O23 Zn3 -","- C32 H32 La N9 O23 Zn3 -","- C128 H128 La4 N36 O92 Zn12 -","4","1","","Shigehisa Akine; Shuichi Sunaga; Takanori Taniguchi; Hayato Miyazaki; Tatsuya Nabeshima","Core/Shell Oligometallic Template Synthesis of Macrocyclic Hexaoxime","Inorganic Chemistry","2007","46","","2959","2961","10.1021/ic062327s","","","0.71069","MoKα","","0.0245","0.0232","","","0.0506","0.0511","","","","","","1.02","","","","has coordinates","179116","2020-10-21","18:00:00",""
"4307977","17.455","0.003","13.611","0.002","22.757","0.003","90","","90","","90","","5406.6","1.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H94 B2 O5 P2 Si4 Sr -","- C38 H94 B2 O5 P2 Si4 Sr -","- C152 H376 B8 O20 P8 Si16 Sr4 -","4","1","","Keith Izod; Corinne Wills; William Clegg; Ross W. Harrington","Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized Carbanion: Synthesis, Structures, and Stabilities","Inorganic Chemistry","2007","46","","4320","4325","10.1021/ic062459l","","","0.71073","MoKα","","0.0694","0.0388","","","0.0797","0.0905","","","","","","1.014","","","","has coordinates,has disorder","179117","2020-10-21","18:00:00",""
"4307978","17.541","0.004","13.8433","0.0007","22.928","0.011","90","","90","","90","","5567","3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H94 B2 Ba O5 P2 Si4 -","- C38 H94 B2 Ba O5 P2 Si4 -","- C152 H376 B8 Ba4 O20 P8 Si16 -","4","1","","Keith Izod; Corinne Wills; William Clegg; Ross W. Harrington","Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized Carbanion: Synthesis, Structures, and Stabilities","Inorganic Chemistry","2007","46","","4320","4325","10.1021/ic062459l","","","0.71073","MoKα","","0.0661","0.0491","","","0.1139","0.1281","","","","","","1.056","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4307981","18.818","0.012","13.172","0.008","17.09","0.01","90","","90","","90","","4236","4","293","2","293","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C23 H44 Cl2 F3 N2 O15 P4 Ru2 S3 -","- C23 H44 Cl2 F3 N2 O15 P4 Ru2 S3 -","- C92 H176 Cl8 F12 N8 O60 P16 Ru8 S12 -","4","1","","Sumito Ishizu; Hiroyasu Sugiyama; Brian K. Breedlove; Kazuko Matsumoto","C-H Cleavage and Double Alkyl Additions to the Disulfido Ligand in Dicyanido-Bridged Ru2S2 Complexes","Inorganic Chemistry","2007","46","","3726","3735","10.1021/ic062460k","","","0.71073","MoKα","","0.0755","0.0541","","","0.1342","0.1539","","","","","","1.017","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4309005","29.952","0.004","12.911","0.002","13.678","0.002","90","","90","","90","","5289.4","1.3","123.2","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C34 H85 N5 O19 Pd V6 -","- C34 H83 N5 O18 Pd V6 -","- C136 H332 N20 O72 Pd4 V24 -","4","1","","Taisei Kurata; Akira Uehara; Yoshihito Hayashi; Kiyoshi Isobe","Cyclic Polyvanadates Incorporating Template Transition Metal Cationic Species: Synthesis and Structures of Hexavanadate [PdV6O18]4-, Octavanadate [Cu2V8O24]4-, and Decavanadate [Ni4V10O30(OH)2(H2O)6]4-","Inorganic Chemistry","2005","44","","2524","2530","10.1021/ic048751f","","","0.7107","MoKα","","","0.0716","","","","0.1254","","","","","","0.961","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309051","17.12","0.003","7.9897","0.0016","29.789","0.006","90","","90","","90","","4074.6","1.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","1D-Cr(bpy)Mn-bpy","","","- C38 H28 Cr2 Mn N14 O2 -","- C38 H26 Cr2 Mn N14 O2 -","- C152 H104 Cr8 Mn4 N56 O8 -","4","1","","Yuan-Zhu Zhang; Song Gao; Zhe-Ming Wang; Gang Su; Hao-Ling Sun; Feng Pan","Rational Synthesis and Magnetic Properties of a Family of Low-Dimensional Heterometallic Cr-Mn Complexes Based on the Versatile Building Block [Cr(2,2'-bipyridine)(CN)4]-","Inorganic Chemistry","2005","44","","4534","4545","10.1021/ic0484194","","","0.71073","MoKα","","0.0825","0.0402","","","0.0912","0.1014","","","","","","0.935","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309140","17.226","","29.365","0.002","17.2263","0.0013","90","","90","","90","","8713.8","0.9","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H46 Er K N12 O15 Ru2 -","- C28 H16 Er K N12 O15 Ru2 -","- C224 H128 Er8 K8 N96 O120 Ru16 -","8","2","","Graham M. Davies; Simon J. A. Pope; Harry Adams; Stephen Faulkner; Michael D. Ward","Structural and Photophysical Properties of Coordination Networks Combining [Ru(bipy)(CN)4]2- Anions and Lanthanide(III) Cations: Rates of Photoinduced Ru-to-Lanthanide Energy Transfer and Sensitized Near-Infrared Luminescence","Inorganic Chemistry","2005","44","","4656","4665","10.1021/ic050512k","","","0.71073","MoKα","","0.0445","0.0393","","","0.1029","0.1062","","","","","","1.031","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4309212","13.0563","0.0007","13.955","0.0007","11.5493","0.0006","90","","90","","90","","2104.29","0.19","91","2","91","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Au3[(CH3)2CH2N=COCH3]3","","","- C15 H30 Au3 N3 O3 -","- C15 H30 Au3 N3 O3 -","- C60 H120 Au12 N12 O12 -","4","1","","Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch","Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3","Inorganic Chemistry","2005","44","","5021","5029","10.1021/ic050381n","","","0.71073","MoKα","","0.0192","0.0181","","","0.0412","0.0415","","","","","","1.05","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4309409","18.646","0.008","13.908","0.006","10.826","0.005","90","","90","","90","","2807","2","173.2","","","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C24 H35 Cu Mo N O2 P S2 -","- C26 H35 Cu Mo N O2 P S2 -","- C104 H140 Cu4 Mo4 N4 O8 P4 S8 -","4","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0214","","","","0.0237","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309423","22.613","0.005","5.311","0.001","18.137","0.005","90","","90","","90","","2178.2","0.9","133.2","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H24 Cl N3 O2 Pd -","- C24 H24 Cl N3 O2 Pd -","- C96 H96 Cl4 N12 O8 Pd4 -","4","1","","Yuichi Shimazaki; Minoru Tashiro; Takeshi Motoyama; Satoshi Iwatsuki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Cyclopalladation of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands and Its Dependence on the O-Donor Properties","Inorganic Chemistry","2005","44","","6044","6051","10.1021/ic0504801","","","0.7107","MoKα","","","0.0528","","","","0.1152","","","","","","1.318","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309713","20.74","0.002","8.4415","0.001","11.4863","0.0014","90","","90","","90","","2011","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H17 N5 O5 Zn -","- C21 H17 N5 O5 Zn -","- C84 H68 N20 O20 Zn4 -","4","1","","Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng","1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide","Inorganic Chemistry","2005","44","","7161","7170","10.1021/ic0509985","","","0.71073","MoKα","","0.0614","0.05","","","0.1026","0.1057","","","","","","1.054","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309876","22.008","0.003","9.453","0.001","16.257","0.002","90","","90","","90","","3382.1","0.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","cis-Dichloro(triethylphosphine)(1,3-di-tert-butyl- 2,4-bis(2-methoxyphenoxy)-[1,3,2,4]diazadiphosphetidine- κ-P)palladium(II)","","- C28 H47 Cl2 N2 O4 P3 Pd -","- C28 H47 Cl2 N2 O4 P3 Pd -","- C112 H188 Cl8 N8 O16 P12 Pd4 -","4","1","","P. Chandrasekaran; Joel T. Mague; Maravanji S. Balakrishna","Cyclodiphosphazanes with Hemilabile Ponytails: Synthesis, Transition Metal Chemistry (Ru(II), Rh(I), Pd(II), Pt(II)), and Crystal and Molecular Structures of Mononuclear (Pd(II), Rh(I)) and Bi- and Tetranuclear Rhodium(I) Complexes","Inorganic Chemistry","2005","44","","7925","7932","10.1021/ic0509478","","","0.71073","MoKα","","0.0243","0.0228","","","0.0517","0.0523","","","","","","1.033","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309971","24.607","0.009","15.454","0.006","15.572","0.006","90","","90","","90","","5922","4","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","1c","tetrakis(μ~2~-Pivalamidato)-tetraammine-tetrabromo-tetrachloro-pentaplatinum","","- C32 H74 Br4 Cl4 N8 O8 Pt5 -","- C32 H74 Br4 Cl4 N8 O8 Pt5 -","- C128 H296 Br16 Cl16 N32 O32 Pt20 -","4","1","","Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita","Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions","Inorganic Chemistry","2005","44","","8552","8560","10.1021/ic050942a","","","0.71073","MoKα","","0.087","0.0508","","","0.1189","0.145","","","","","","1.011","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309974","24.395","0.016","15.425","0.011","15.577","0.01","90","","90","","90","","5862","7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","1a","tetrakis(μ~2~-Pivalamidato-N,O)-tetra-ammine-octa-chloro-penta-platinum(ii,iii)","","- C32 H74 Cl8 N8 O8 Pt5 -","- C32 H74 Cl8 N8 O8 Pt5 -","- C128 H296 Cl32 N32 O32 Pt20 -","4","1","","Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita","Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions","Inorganic Chemistry","2005","44","","8552","8560","10.1021/ic050942a","","","0.71073","MoKα","","0.1411","0.0514","","","0.0927","0.1198","","","","","","0.964","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4310050","22.239","0.001","19.041","0.001","19.538","0.001","90","","90","","90","","8273.4","0.7","293","2","293","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C74.5 H105 B2 Cl N2 O13 P4 Ru -","- C74.5 H105 B2 Cl N2 O13 P4 Ru -","- C298 H420 B8 Cl4 N8 O52 P16 Ru4 -","4","1","","Gabriele Albertin; Stefano Antoniutti; Alessia Bacchi; Fabiola De Marchi; Giancarlo Pelizzi","Tautomerization of Methyldiazene to Formaldehyde-Hydrazone in Ruthenium and Osmium Complexes","Inorganic Chemistry","2005","44","","8947","8954","10.1021/ic050817z","","","0.71069","MoKα","","0.0702","0.0465","","","0.1137","0.1216","","","","","","0.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310930","11.491","0.012","6.791","0.007","11.289","0.012","90","","90","","90","","880.9","1.6","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- K P Se6 -","- K P Se6 -","- K4 P4 Se24 -","4","1","","In Chung; Junghwan Do; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","APSe6 (A = K, Rb, and Cs): Polymeric Selenophosphates with Reversible Phase-Change Properties","Inorganic Chemistry","2004","43","","2762","2764","10.1021/ic035448q","","","0.71073","MoKα","","0.0476","0.0333","","","0.072","0.0771","","","","","","1.013","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310931","11.7764","0.0017","6.858","0.001","11.4596","0.0016","90","","90","","90","","925.5","0.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- P Rb Se6 -","- P Rb Se6 -","- P4 Rb4 Se24 -","4","1","","In Chung; Junghwan Do; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","APSe6 (A = K, Rb, and Cs): Polymeric Selenophosphates with Reversible Phase-Change Properties","Inorganic Chemistry","2004","43","","2762","2764","10.1021/ic035448q","","","0.71073","MoKα","","0.0351","0.0259","","","0.0499","0.0523","","","","","","0.977","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310946","15.197","0.014","16.435","0.014","24.33","0.02","90","","90","","90","","6077","9","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60 H50 Cl4 N5 O13 P4 Pr -","- C60 H50 Cl4 N5 O13 P4 Pr -","- C240 H200 Cl16 N20 O52 P16 Pr4 -","4","1","","Zdenek Spichal; Marek Necas; Jiri Pinkas; Josef Novosad","The Synthesis and Crystal Structures of Two-Dimensional Coordination Polymers of Ph2P(O)-CH2CH2-P(O)Ph2 and Ph2P(O)-C5H3N-P(O)Ph2 with Praseodymium","Inorganic Chemistry","2004","43","","2776","2778","10.1021/ic0499648","","","0.71073","MoKα","","0.0554","0.0428","","","0.0923","0.0971","","","","","","0.976","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310990","14.6353","0.0007","4.1454","0.0002","30.3184","0.0015","90","","90","","90","","1839.39","0.15","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H24 Cd N2 S4 -","- C12 H24 Cd N2 S4 -","- C48 H96 Cd4 N8 S16 -","4","1","","Laura H. van Poppel; Thomas L. Groy; M. Tyler Caudle","Carbon-Sulfur Bond Cleavage in Bis(N-alkyldithiocarbamato)cadmium(II) Complexes: Heterolytic Desulfurization Coupled to Topochemical Proton Transfer","Inorganic Chemistry","2004","43","","3180","3188","10.1021/ic035135v","","","0.71073","MoKα","","0.064","0.0611","","","0.1439","0.1457","","","","","","1.198","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4311015","13.433","0.003","14.69","0.004","13.076","0.003","90","","90","","90","","2580.3","1.1","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H32 B18 Cl2 Ni2 -","- C13 H32 B18 Cl2 Ni2 -","- C52 H128 B72 Cl8 Ni8 -","4","1","","Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","Synthesis, Structure and Dynamics of Nickelacarboranes Incorporating the [nido-7,9-C~2~B~9~H~11~]^2-^ Ligand","Inorganic Chemistry","2004","43","","3090","3097","10.1021/ic035458r","","","0.71073","MoKα","","0.0525","0.038","","","0.0801","0.083","","","","","","0.947","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311105","34.184","0.01","5.4758","0.0017","15.64","0.005","90","","90","","90","","2927.6","1.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H39 Br3 N4 -","- C27 H39 Br3 N4 -","- C108 H156 Br12 N16 -","4","1","","Md. Alamgir Hossain; Jennifer Ann Liljegren; Douglas Powell; Kristin Bowman-James","Anion Binding with a Tripodal Amine","Inorganic Chemistry","2004","43","","3751","3755","10.1021/ic049762b","","","0.71073","MoKα","","0.1252","0.0981","","","0.2488","0.2769","","","","","","1.09","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311432","17.9897","0.0008","13.8773","0.0006","31.0893","0.0019","90","","90","","90","","7761.4","0.7","153","2","153","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C34 H38 Cl2 Fe3 N3 O12 -","- C34 H38 Cl2 Fe3 N3 O12 -","- C272 H304 Cl16 Fe24 N24 O96 -","8","2","","Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen","Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes","Inorganic Chemistry","2004","43","","5053","5068","10.1021/ic049600f","","","0.71073","MoKα","","0.0782","0.0455","","","0.1065","0.1208","","","","","","0.654","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311993","23.111","0.003","19.512","0.002","18.112","0.002","90","","90","","90","","8167.5","1.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","tBuNCAg[N{(C3F7)C(Dipp)N}2]","","","- C37 H43 Ag F14 N4 -","- C37 H43 Ag F14 N4 -","- C296 H344 Ag8 F112 N32 -","8","2","","H. V. Rasika Dias; Shreeyukta Singh","Silver(I) Complexes of a Sterically Demanding Fluorinated Triazapentadienyl Ligand [N{(C3F7)C(Dipp)N}2]- (Dipp = 2,6-Diisopropylphenyl)","Inorganic Chemistry","2004","43","","7396","7402","10.1021/ic0491231","","","0.71073","MoKα","","0.0543","0.0517","","","0.122","0.1247","","","","","","1.101","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4312063","17.709","0.002","11.055","0.001","15.941","0.002","90","","90","","90","","3120.8","0.6","150","2","150","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C18 H44 Br2 Cd Co Cu N5 O9 S -","- C18 H43 Br2 Cd Co Cu N5 O9 S -","- C72 H172 Br8 Cd4 Co4 Cu4 N20 O36 S4 -","4","1","","Dmytro S. Nesterov; Valeriya G. Makhankova; Olga Yu. Vassilyeva; Vladimir N. Kokozay; Larisa A. Kovbasyuk; Brian W. Skelton; Julia Jezierska","Assembling Novel Heterotrimetallic Cu/Co/Ni and Cu/Co/Cd Cores Supported by Diethanolamine Ligand in One-Pot Reactions of Zerovalent Copper with Metal Salts","Inorganic Chemistry","2004","43","","7868","7876","10.1021/ic048955w","","","0.71073","MoKα","","0.066","0.05","","0.087","","0.072","","","1.275","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312245","20.76","0.0016","12.3207","0.0009","18.0165","0.0014","90","","90","","90","","4608.2","0.6","160","2","160","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H68 O4 P2 Si4 Sr -","- C36 H68 O4 P2 Si4 Sr -","- C144 H272 O16 P8 Si16 Sr4 -","4","1","","Stuart Blair; Keith Izod; William Clegg; Ross W. Harrington","Complexes of the Heavier Alkaline Earth Metals Ca, Sr, and Ba with O-Functionalized Phosphanide Ligands","Inorganic Chemistry","2004","43","","8526","8531","10.1021/ic048978a","","","0.71073","MoKα","","0.0411","0.0291","","","0.058","0.0607","","","","","","0.954","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312408","19.0574","0.0015","20.4023","0.0016","20.6598","0.0016","90","","90","","90","","8032.8","1.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(PyH)3(3)","(C5NH6)3[{Mo8O16(O3P-C6H4-PO3)4}{Mo2O2(OH)2(HO3P-C6H4-PO3H)}].3H2O","","- C45 H42 Mo10 N3 O53 P10 -","- C45 H24 Mo10 N3 O53 P10 -","- C180 H96 Mo40 N12 O212 P40 -","4","1","","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","","0.062","0.0511","","","0.1149","0.1208","","","","","","1.046","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312447","26.5984","0.0004","11.0714","0.0002","14.7694","0.0002","90","","90","","90","","4349.32","0.12","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H35 Cl N6 Ni O -","- C16 H33 Cl N6 Ni O -","- C128 H264 Cl8 N48 Ni8 O8 -","8","2","","Maximilian N. Kopylovich; Armando J. L. Pombeiro; Andreas Fischer; Lars Kloo; Vadim Yu. Kukushkin","Facile Ni(II)/Ketoxime-Mediated Conversion of Organonitriles into Imidoylamidine Ligands. Synthesis of Imidoylamidines and Acetyl Amides","Inorganic Chemistry","2003","42","","7239","7248","10.1021/ic0349813","","","0.71073","MoKα","","0.0437","0.0359","","","0.0804","0.0847","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312455","20.15","0.0004","11.63","0.0005","23.91","0.0005","90","","90","","90","","5603.2","0.3","173.2","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H64 Cl4 Cu2 N10 O18 -","- C44 H60.45 Cl4 Cu2 N10 O18 -","- C176 H241.8 Cl16 Cu8 N40 O72 -","4","1","","Syuhei Yamaguchi; Shigenori Nagatomo; Teizo Kitagawa; Yasuhiro Funahashi; Tomohiro Ozawa; Koichiro Jitsukawa; Hideki Masuda","Copper Hydroperoxo Species Activated by Hydrogen-Bonding Interaction with Its Distal Oxygen","Inorganic Chemistry","2003","42","","6968","6970","10.1021/ic035080x","","","0.7107","MoKα","","","0.0557","","","","0.1383","","","","","","1.599","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312517","20.215","0.0002","14.4727","0.0002","12.3174","0.0004","90","","90","","90","","3603.65","0.13","150","1","150","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C34 H37 Cl2 N5 Ni O10 -","- C34 H37 Cl2 N5 Ni O10 -","- C136 H148 Cl8 N20 Ni4 O40 -","4","1","","Magdalena M. Makowska-Grzyska; Ewa Szajna; Crystal Shipley; Atta M. Arif; Michael H. Mitchell; Jason A. Halfen; Lisa M. Berreau","First Row Divalent Transition Metal Complexes of Aryl-Appended Tris((pyridyl)methyl)amine Ligands: Syntheses, Structures, Electrochemistry, and Hydroxamate Binding Properties","Inorganic Chemistry","2003","42","","7472","7488","10.1021/ic034810y","","","0.71073","MoKα","","0.071","0.0613","","","0.1468","0.1524","","","","","","1.119","","","","has coordinates,has disorder","179164","2020-10-21","18:00:00",""
"4312868","18.595","0.003","9.0279","0.0012","16.339","0.002","90","","90","","90","","2742.9","0.7","133","2","133","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C16 H41 B2 F8 N Ni P4 -","- C16 H41 B2 F8 N Ni P4 -","- C64 H164 B8 F32 N4 Ni4 P16 -","4","1","","Calvin J. Curtis; Alex Miedaner; Rebecca Ciancanelli; William W. Ellis; Bruce C. Noll; M. Rakowski DuBois; Daniel L. DuBois","[Ni(Et~2~PCH~2~NMeCH~2~PEt~2~)~2~]^2+^ as a Functional Model for Hydrogenases","Inorganic Chemistry","2003","42","","216","227","10.1021/ic020610v","","","0.71073","Mokα","","0.0587","0.0482","","","0.1174","0.1277","","","","","","1.064","","","","has coordinates,has disorder","179167","2020-10-21","18:00:00",""
"4312977","18.323","0.0013","14.9167","0.0009","16.431","0.002","90","","90","","90","","4490.9","0.7","293","2","293","2","","","","","","","synthesis","5","P c a 21","P 2c -2ac","29","","","","- C47 H40 Cl2 Cu3 N12 -","- C46.51 H39.44 Cl2 Cu3 N12 -","- C186.04 H157.76 Cl8 Cu12 N48 -","4","1","","John F. Berry; F. Albert Cotton; Peng Lei; Carlos A. Murillo","Further Structural and Magnetic Studies of Tricopper Dipyridylamido Complexes","Inorganic Chemistry","2003","42","","377","382","10.1021/ic025957c","","","0.71073","MoKα","","0.0371","0.0347","","0.0875","0.0845","","","","1.08","1.07","1.07","","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4313281","12.699","0.004","12.1344","0.0016","12.639","0.003","90","","90","","90","","1947.6","0.8","230","","230","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H15 Mn2 Mo N8 O3 -","- C13 H12 Mn2 Mo N8 O3 -","- C52 H48 Mn8 Mo4 N32 O12 -","4","1","","Stéfania Tanase; Floriana Tuna; Philippe Guionneau; Thierry Maris; Guillaume Rombaut; Corine Mathonière; Marius Andruh; ) Olivier Kahn; Jean-Pascal Sutter","Substantial Increase of the Ordering Temperature for {MnII/MoIII(CN)7}- Based Magnets as a Function of the 3d Ion Site Geometry: Example of Two Supramolecular Materials with Tc= 75 and 106 K","Inorganic Chemistry","2003","42","","1625","1631","10.1021/ic025990z","","","1.5418","CuKα","","","0.0565","","","","0.0685","","","","","","0.999","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4313290","11.8998","0.0005","8.391","0.0004","12.78","0.0006","90","","90","","90","","1276.1","0.1","155","2","155","2","","","","","","","synthetic","5","P c a 21","P 2c -2ac","29","","","","- C9 H17 Cr N6 O -","- C9 H15 Cr N6 O -","- C36 H60 Cr4 N24 O4 -","4","1","","Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long","High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes","Inorganic Chemistry","2003","42","","1403","1419","10.1021/ic026065f","","","0.71073","MoKα","","0.0209","0.019","","0.0453","0.0451","","","","0.95","1.003","1.003","","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4313385","23.464","0.002","6.7161","0.0004","15.9813","0.0014","90","","90","","90","","2518.4","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H16 Cl O6 P -","- C9 H16 Cl O6 P -","- C72 H128 Cl8 O48 P8 -","8","2","","Artur Krężel; Rafał Latajka; Grzegorz D. Bujacz; Wojciech Bal","Coordination Properties of Tris(2-carboxyethyl)phosphine, a Newly Introduced Thiol Reductant, and Its Oxide","Inorganic Chemistry","2003","42","","1994","2003","10.1021/ic025969y","","","1.54178","CuKα","","0.0388","0.0363","","0.1025","0.0996","","","","1.055","1.061","1.061","","","","","has coordinates,has disorder","179191","2020-10-21","18:00:00",""
"4313616","23.3059","0.0003","9.1822","0.0001","22.6599","0.0004","90","","90","","90","","4849.21","0.12","200","2","200","2","","","","","","","synthesis","7","P c a 21","P 2c -2ac","29","","","","- C50 H48 Cl2 N3 O5 P3 Ru -","- C50 H48 Cl2 N3 O5 P3 Ru -","- C200 H192 Cl8 N12 O20 P12 Ru4 -","4","1","","Victorio Cadierno; Pascale Crochet; Josefina Díez; Joaquín García-Álvarez; Sergio E. García-Garrido; José Gimeno; Santiago García-Granda; Miguel A. Rodríguez","Ruthenium(II) and Ruthenium(IV) Complexes Containing κ1-P-, κ2-P,O-, and κ3-P,N,O-Iminophosphorane-Phosphine Ligands Ph2PCH2P{NP(O)(OR)2}Ph2 (R = Et, Ph): Synthesis, Reactivity, Theoretical Studies, and Catalytic Activity in Transfer Hydrogenation of Cyclohexanone","Inorganic Chemistry","2003","42","","3293","3307","10.1021/ic020702k","","","1.5418","CuKα","","0.0424","0.0385","","","0.107","0.1354","","","","","","1.161","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4314748","23.601","0.002","20.4694","0.0018","29.917","0.003","90","","90","","90","","14453","2","100","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C108 H212 Mn12 O49.2 -","- C108 H210 Mn12 O49.2 -","- C432 H840 Mn48 O196.8 -","4","1","","Christos Lampropoulos; Gage Redler; Saiti Data; Khalil A. Abboud; Stephen Hill; George Christou","Binding of Higher Alcohols onto Mn12 Single-Molecule Magnets (SMMs): Access to the Highest Barrier Mn12 SMM","Inorganic Chemistry","2010","49","","1325","1336","10.1021/ic901480y","","","0.71073","MoKα","","0.0372","0.0312","","","0.0761","0.0796","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4314930","11.214","0.007","12.815","0.014","13.507","0.007","90","","90","","90","","1941","3","143","1","143","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- B10 Br H13 -","- B10 Br H13 -","- B80 Br8 H104 -","8","2","","William C. Ewing; Patrick J. Carroll; Larry G. Sneddon","Efficient Syntheses of 5-X-B10H13 Halodecaboranes via the Photochemical (X = I) and/or Base-Catalyzed (X = Cl, Br, I) Isomerization Reactions of 6-X-B10H13","Inorganic Chemistry","2010","49","","1983","1994","10.1021/ic9024487","","","0.71073","MoKα","","0.0446","0.0379","","","0.087","0.0901","","","","","","1.15","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4315003","13.663","0.006","14.994","0.004","18.343","0.006","90","","90","","90","","3758","2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H34 N6 Ni3 O15 -","- C26 H32 N6 Ni3 O15 -","- C104 H128 N24 Ni12 O60 -","4","1","","Albert Escuer; Jordi Esteban; Núria Aliaga-Alcalde; Mercé Font-Bardia; Teresa Calvet; Olivier Roubeau; Simon J. Teat","First Structural and Magnetic Studies of Ni Clusters Containing 2,6-Diacetylpyridine-dioxime as a Ligand","Inorganic Chemistry","2010","49","","2259","2266","10.1021/ic9020965","","","0.71073","MoKα","","0.0809","0.0746","","","0.2076","0.2122","","","","","","1.128","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315022","20.082","0.005","10.396","0.008","10.744","0.005","90","","90","","90","","2243","2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H25 N3 O5 S U -","- C20 H19 N3 O5 S U -","- C80 H76 N12 O20 S4 U4 -","4","1","","Koichiro Takao; Masaru Kato; Shinobu Takao; Akira Nagasawa; Gert Bernhard; Christoph Hennig; Yasuhisa Ikeda","Molecular Structure and Electrochemical Behavior of Uranyl(VI) Complex with Pentadentate Schiff Base Ligand: Prevention of Uranyl(V) Cation-Cation Interaction by Fully Chelating Equatorial Coordination Sites","Inorganic Chemistry","2010","49","","2349","2359","10.1021/ic902225f","","","0.71075","MoKα","","0.0307","0.023","","","0.0461","0.0477","","","","","","1.066","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315404","36.0666","0.0014","10.3284","0.0004","22.7085","0.0009","90","","90","","90","","8459.1","0.6","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H56 Cl2 N4 P2 Ru -","- C43 H56 Cl2 N4 P2 Ru -","- C344 H448 Cl16 N32 P16 Ru8 -","8","2","","Lindsay J. Hounjet; Matthias Bierenstiel; Michael J. Ferguson; Robert McDonald; Martin Cowie","Coordinatively Diverse ortho-Phosphinoaniline Complexes of Ruthenium and Isolation of a Putative Intermediate in Ketone Transfer Hydrogenation Catalysis","Inorganic Chemistry","2010","49","","4288","4300","10.1021/ic100165t","","","0.71073","MoKα","","0.0317","0.0276","","","0.0619","0.0647","","","","","","1.022","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315458","24.438","0.011","9.722","0.006","8.925","0.004","90","","90","","90","","2120.5","1.9","135","2","135","2","","","","","","","","4","P c a 21","P 2c -2ac","29","5LIO-Me-3,2-HOPO","","","- C18 H26 N4 O9 -","- C18 H26 N4 O9 -","- C72 H104 N16 O36 -","4","1","","Evan G. Moore; Jide Xu; Sheel C. Dodani; Christoph J. Jocher; Anthony D'Aléo; Michael Seitz; Kenneth N. Raymond","1-Methyl-3-hydroxy-pyridin-2-one Complexes of Near Infra-Red Emitting Lanthanides: Efficient Sensitization of Yb(III) and Nd(III) in Aqueous Solution","Inorganic Chemistry","2010","49","","4156","4166","10.1021/ic902219t","","","0.71073","MoKα","","0.0711","0.0404","","","0.0886","0.1007","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4315624","15.3721","0.0013","6.6323","0.0005","10.1018","0.0009","90","","90","","90","","1029.9","0.15","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H20 B2 N P -","- C5 H20 B2 N P -","- C20 H80 B8 N4 P4 -","4","1","","Scott R. Daly; Gregory S. Girolami","Synthesis, Characterization, and Structures of Uranium(III) N,N-Dimethylaminodiboranates","Inorganic Chemistry","2010","49","","5157","5166","10.1021/ic100290j","","","0.71073","MoKα","","0.0485","0.0347","","","0.0739","0.0771","","","","","","0.95","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4315841","20.224","0.004","10.136","0.002","7.9972","0.0017","90","","90","","90","","1639.3","0.6","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H9 F5 Fe N3 P3 -","- C12 H9 F5 Fe N3 P3 -","- C48 H36 F20 Fe4 N12 P12 -","4","1","","Karunesh Keshav; Nem Singh; Anil J. Elias","Synthesis and Reactions of Ethynylferrocene-Derived Fluoro- and Chlorocyclotriphosphazenes","Inorganic Chemistry","2010","49","","5753","5765","10.1021/ic100703h","","","0.71073","MoKα","","0.0646","0.0623","","","0.1324","0.1335","","","","","","1.323","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315959","10.9921","0.0008","8.2957","0.0006","27.774","0.002","90","","90","","90","","2532.6","0.3","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- F4 Mo S -","- F4 Mo S -","- F96 Mo24 S24 -","24","6","","Jared Nieboer; Johnathan P. Mack; Hélène P. A. Mercier; Michael Gerken","Synthesis, Characterization, and Computational Study of MoSF4","Inorganic Chemistry","2010","49","","6153","6159","10.1021/ic100766d","","","0.71073","MoKα","","0.026","0.0224","","","0.0408","0.0418","","","","","","1.078","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4316051","16.1018","0.0003","7.9797","0.0001","24.1348","0.0004","90","","90","","90","","3101.02","0.09","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 Fe4 O12 S4 -","- C22 H20 Fe4 O12 S4 -","- C88 H80 Fe16 O48 S16 -","4","1","","Yu-Chiao Liu; Ling-Kuang Tu; Tao-Hung Yen; Gene-Hsiang Lee; Shu-Ting Yang; Ming-Hsi Chiang","Secondary Coordination Sphere Interactions within the Biomimetic Iron Azadithiolate Complexes Related to Fe-Only Hydrogenase: Dynamic Measure of Electron Density about the Fe Sites","Inorganic Chemistry","2010","49","","6409","6420","10.1021/ic100484a","","","0.71073","MoKα","","0.0407","0.031","","","0.0562","0.0583","","","","","","1.002","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316207","15.863","0.005","13.625","0.004","28.23","0.008","90","","90","","90","","6101","3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C51 H46 Cl8 F12 N12 P2 Ru2 -","- C51 H46 Cl8 F12 N12 P2 Ru2 -","- C204 H184 Cl32 F48 N48 P8 Ru8 -","4","1","","Mohamed Dakkach; M. Isabel López; Isabel Romero; Montserrat Rodríguez; Ahmed Atlamsani; Teodor Parella; Xavier Fontrodona; Antoni Llobet","New Ru(II) Complexes with Anionic and Neutral N-Donor Ligands as Epoxidation Catalysts: An Evaluation of Geometrical and Electronic Effects","Inorganic Chemistry","2010","49","","7072","7079","10.1021/ic100862y","","","0.71073","MoKα","","0.1262","0.0578","","","0.1107","0.1301","","","","","","1.012","","","","has coordinates,has disorder","179242","2020-10-21","18:00:00",""
"4316304","8.4839","0.0018","12.041","0.002","15.592","0.003","90","","90","","90","","1592.8","0.5","125.1","","125","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H11 Br3 Te -","- C16 H11 Br3 Te -","- C64 H44 Br12 Te4 -","4","1","","Fergus R. Knight; Amy L. Fuller; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Hypervalent Adducts of Chalcogen-Containing peri-Substituted Naphthalenes; Reactions of Sulfur, Selenium, and Tellurium with Dihalogens","Inorganic Chemistry","2010","49","","7577","7596","10.1021/ic101086h","","","0.71075","MoKα","","","0.0461","","","","0.0997","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4316305","8.5238","0.0018","12.165","0.003","15.78","0.003","90","","90","","90","","1636.3","0.6","125.1","","125","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H11 Br2 I Te -","- C16 H11 Br2 I Te -","- C64 H44 Br8 I4 Te4 -","4","1","","Fergus R. Knight; Amy L. Fuller; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Hypervalent Adducts of Chalcogen-Containing peri-Substituted Naphthalenes; Reactions of Sulfur, Selenium, and Tellurium with Dihalogens","Inorganic Chemistry","2010","49","","7577","7596","10.1021/ic101086h","","","0.71075","MoKα","","","0.0313","","","","0.0967","","","","","","1.206","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4316321","16.961","0.004","8.704","0.002","17.945","0.005","90","","90","","90","","2649.2","1.1","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H36 Co N2 S2 Si2 -","- C20 H36 Co N2 S2 Si2 -","- C80 H144 Co4 N8 S8 Si8 -","4","1","","Chhatra B. Khadka; Daniel G. Macdonald; Yanhua Lan; Annie K. Powell; Dieter Fenske; John F. Corrigan","Trimethylsilylchalcogenolates of Co(II) and Mn(II): From Mononuclear Coordination Complexes to Clusters Containing -ESiMe3 Moieties (E = S, Se)","Inorganic Chemistry","2010","49","","7289","7297","10.1021/ic902346u","","","0.71073","MoKα","","0.1012","0.0587","","","0.1103","0.1316","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316684","21.643","0.007","17.961","0.006","15.261","0.005","90","","90","","90","","5932","3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H40 Cl3 O Os P2 -","- C27 H40 Cl3 O Os P2 -","- C216 H320 Cl24 O8 Os8 P16 -","8","2","","Gregorio Asensio; Ana B. Cuenca; Miguel A. Esteruelas; Mercedes Medio-Simón; Montserrat Oliván; Marta Valencia","Osmium(III) Complexes with POP Pincer Ligands: Preparation from Commercially Available OsCl3.3H2O and Their X-ray Structures","Inorganic Chemistry","2010","49","","8665","8667","10.1021/ic101498h","","","0.71073","MoKα","","0.0567","0.0317","","","0.0403","0.0432","","","","","","0.696","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316770","19.883","0.002","5.6194","0.0006","7.8141","0.001","90","","90","","90","","873.07","0.17","228","2","228","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H8 N O4 P -","- C8 H8 N O4 P -","- C32 H32 N4 O16 P4 -","4","1","","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","","0.0248","0.0243","","","0.0674","0.0679","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4317002","11.872","0.011","9.196","0.009","5.62","0.005","90","","90","","90","","613.6","1","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Neptunium (V) borate","","","- B3 Np O8 -","- B3 Np O8 -","- B12 Np4 O32 -","4","1","","Shuao Wang; Evgeny V. Alekseev; Hannah M. Miller; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Boronic Acid Flux Synthesis and Crystal Growth of Uranium and Neptunium Boronates and Borates: A Low-Temperature Route to the First Neptunium(V) Borate","Inorganic Chemistry","2010","49","","9755","9757","10.1021/ic101678d","","","0.71073","MoKα","","0.0823","0.0525","","","0.1138","0.1286","","","","","","1.008","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317175","26.16191","0.00016","10.39828","0.00009","27.96718","0.00019","90","","90","","90","","7608.16","0.1","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H124 Fe2 N4 O7 -","- C76 H124 Fe2 N4 O7 -","- C304 H496 Fe8 N16 O28 -","4","1","","Christopher J. Whiteoak; Rafael Torres Martin de Rosales; Andrew J. P. White; George J. P. Britovsek","Iron(II) Complexes with Tetradentate Bis(aminophenolate) Ligands: Synthesis and Characterization, Solution Behavior, and Reactivity with O2","Inorganic Chemistry","2010","49","","11106","11117","10.1021/ic1016998","","","1.54184","CuKα","","0.069","0.0581","","","0.1576","0.1645","","","","","","1.004","","","","has coordinates,has disorder","179251","2020-10-21","18:00:00",""
"4317197","14.784","0.002","3.9255","0.0006","13.918","0.002","90","","90","","90","","807.7","0.2","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C2 F N O S -","- C2 F N O S -","- C16 F8 N8 O8 S8 -","8","2","","Luis A. Ramos; Sonia E. Ulic; Rosana M. Romano; Mauricio F. Erben; Christian W. Lehmann; Eduard Bernhardt; Helmut Beckers; Helge Willner; Carlos O. Della Védova","Vibrational Spectra, Crystal Structures, Constitutional and Rotational Isomerism of FC(O)SCN and FC(O)NCS","Inorganic Chemistry","2010","49","","11142","11157","10.1021/ic101741e","","","","","","","","","","","","","","","","","","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317621","17.9325","0.0019","11.3102","0.0012","18.2829","0.0019","90","","90","","90","","429.6","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[Pt(sha)(PPh3)2]","","","- C43 H35 N O3 P2 Pt -","- C43 H35 N O3 P2 Pt -","- C172 H140 N4 O12 P8 Pt4 -","4","1","","Matthew D. Hall; Timothy W. Failes; David E. Hibbs; Trevor W. Hambley","Structural Investigations of Palladium(II) and Platinum(II) Complexes of Salicylhydroxamic Acid","Inorganic Chemistry","2002","41","","1223","1228","10.1021/ic010760q","","","0.71073","MoKα","","0.0269","0.0224","","","0.0591","0.0692","","","","","","0.508","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317784","25.1624","0.0014","10.0062","0.0006","10.7073","0.0006","90","","90","","90","","2695.9","0.3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound1","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C120 H128 N16 O16 -","8","2","","Federico Roncaroli; Luis M. Baraldo; Leonardo D. Slep; José A. Olabe","Metallonitrosyl Fragment as Electron Acceptor: Intramolecular Charge Transfer, Long Range Electronic Coupling, and Electrophilic Reactivity in the trans-[NCRu(py)4(CN)Ru(py)4NO]3+ Ion","Inorganic Chemistry","2002","41","","1930","1939","10.1021/ic0109896","","","0.71073","MoKα","","0.0435","0.0381","","0.1017","0.0927","","","","1.075","1.08","1.08","","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317915","24.641","0.003","9.6405","0.0005","21.724","0.001","90","","90","","90","","5160.6","0.7","297.7","","","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C63 H44 Cl3 Co N5 O2 P -","- C63 H44 Cl3 Co N5 O2 P -","- C252 H176 Cl12 Co4 N20 O8 P4 -","4","1","","Haruna Adachi; Hiroyuki Suzuki; Yoshio Miyazaki; Yasuhiro Iimura; Mikio Hoshino","Structure and Photochemistry of Nitrocobalt(III) Tetraphenylporphyrin with Axial Triphenylphosphine in Toluene Solutions","Inorganic Chemistry","2002","41","","2518","2524","10.1021/ic0108686","","","1.5418","CuKα","","","0.0491","","","","0.0616","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317924","13.762","0.009","12.952","0.008","11.077","0.004","90","","90","","90","","1974.4","1.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H8 N2 S -","- C12 H8 N2 S -","- C96 H64 N16 S8 -","8","2","","Jaydip Gangopadhyay; Suman Sengupta; Sibaprasad Bhattacharyya; Indranil Chakraborty; Animesh Chakravorty","Pyridylazole Chelation of Oxorhenium(V) and Imidorhenium(V). Rates and Trends of Oxygen Atom Transfer from ReVO to Tertiary Phosphines","Inorganic Chemistry","2002","41","","2616","2622","10.1021/ic011064t","","","0.71073","MoKα","","0.0695","0.0543","","0.1508","0.1354","","","","1.073","1.071","1.071","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4318029","22.141","0.003","9.4159","0.0016","15.2075","0.0017","90","","90","","90","","3170.4","0.8","160","2","160","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H36 Fe Gd N5 O16 -","- C24 H36 Fe Gd N5 O16 -","- C96 H144 Fe4 Gd4 N20 O64 -","4","1","","Jean-Pierre Costes; Juan Modesto Clemente-Juan; Françoise Dahan; Frédéric Dumestre; Jean-Pierre Tuchagues","Dinuclear (FeII, GdIII) Complexes Deriving from Hexadentate Schiff Bases: Synthesis, Structure, and Mössbauer and Magnetic Properties","Inorganic Chemistry","2002","41","","2886","2891","10.1021/ic0112793","","","0.71073","MoKα","","0.0305","0.0278","","","0.0687","0.0703","","","","","","1.046","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318530","22.6053","0.0004","11.1839","0.0001","36.7385","0.0006","90","","90","","90","","9288.1","0.2","200","1","200","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H24 Cl2 N4 O8 S2 Zn -","- C14 H24 Cl2 N4 O8 S2 Zn -","- C224 H384 Cl32 N64 O128 S32 Zn16 -","16","4","","Magdalena M. Makowska-Grzyska; Peter C. Jeppson; Russell A. Allred; Atta M. Arif; Lisa M. Berreau","Modeling Substrate- and Inhibitor-Bound Forms of Liver Alcohol Dehydrogenase: Chemistry of Mononuclear Nitrogen/Sulfur-Ligated Zinc Alcohol, Formamide, and Sulfoxide Complexes","Inorganic Chemistry","2002","41","","4872","4887","10.1021/ic0255609","","","0.71073","MoKα","","0.0828","0.0502","","","0.095","0.1065","","","","","","1.039","","","","has coordinates","179265","2020-10-21","18:00:00",""
"4318538","11.3003","0.0018","6.5544","0.0013","9.618","0.002","90","","90","","90","","712.4","0.2","293","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H12 B N O3 -","- C6 H12 B N O3 -","- C24 H48 B4 N4 O12 -","4","1","","Alexander A. Korlyukov; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Valerii N. Kirin; Eugenii A. Chernyshev; Sergei P. Knyazev","Experimental and Theoretical Study of the Transannular Intramolecular Interaction and Cage Effect in the Atrane Framework of Boratrane and 1-Methylsilatrane","Inorganic Chemistry","2002","41","","5043","5051","10.1021/ic010842e","","","0.71073","MoKα","","0.0493","0.041","","","0.0927","0.0966","","","","","","0.971","","","","has coordinates","179265","2020-10-21","18:00:00",""
"4319123","32.4702","0.0002","9.453","0.0001","30.3331","0.0002","90","","90","","90","","9310.47","0.13","293","2","293","2","","","","","","","synthesized by the authors, see text","7","P c a 21","P 2c -2ac","29","","","","- C49.5 H42 Cl3 N4 O2 P2 Re -","- C49.5 H41 Cl3 N4 O2 P2 Re -","- C396 H328 Cl24 N32 O16 P16 Re8 -","8","2","","Sébastien Fortin; André L. Beauchamp","Preparations, Characterizations, and Structures of (Biimidazole)dihalobis(triphenylphosphine)rhenium(III) Salts: Strong Ion-Pairing and Acid-Base Properties","Inorganic Chemistry","2001","40","","105","112","10.1021/ic0006807","","","1.54178","CuKα","","0.1086","0.0823","","0.2085","","0.1954","","","1.008","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319317","13.239","0.0015","7.8355","0.001","14.209","0.002","90","","90","","90","","1474","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H17 Cl2 La O10 -","- C5 H3 Cl2 La O10 -","- C20 H12 Cl8 La4 O40 -","4","1","","Bert D. Alleyne; Avril R. Williams; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Lanthanide(III) Methylsquarates: Synthesis and X-ray Structures","Inorganic Chemistry","2001","40","","1045","1051","10.1021/ic000989q","","","0.71073","MoKα","","0.0595","0.0382","","0.1595","0.0919","","","","1.184","1.123","1.123","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319405","18.546","0.0007","14.5527","0.0008","16.2431","0.0006","90","","90","","90","","4383.9","0.3","316","2","316","2","","","","","","","synthesis","5","P c a 21","P 2c -2ac","29","","","","- C46 H38 Cl2 Co3 N12 -","- C46 H38 Cl2 Co3 N12 -","- C184 H152 Cl8 Co12 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0527","0.0448","","0.112","0.1041","","","","1.039","1.03","1.03","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319496","23.171","0.005","20.686","0.004","23.59","0.005","90","","90","","90","","11307","4","213","2","213","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[Fe2(HPTB)(OH)(O2CC6H5)2](ClO4)2*4.5H2O","(mu-N,N,N',N'-tetrakis(2-benzimidazolylmethyl)-2-hydroxy-1,3-diaminopropane) -bis(benzoyloxy-O)-(mu-hydroxo)-di-iron(iii) diperchlorate pentahydrate","","- C49 H53 Cl2 Fe2 N10 O18.5 -","- C49 H43 Cl2 Fe2 N10 O18.5 -","- C392 H344 Cl16 Fe16 N80 O148 -","8","2","","Lars Westerheide; Felizitas K. Müller; Roberto Than; Bernt Krebs; Jens Dietrich; Siegfried Schindler","Syntheses and Structural Characterization of Dinuclear and Tetranuclear Iron(III) Complexes with Dinucleating Ligands and Their Reactions with Hydrogen Peroxide","Inorganic Chemistry","2001","40","","1951","1961","10.1021/ic0009371","","","0.71073","MoKα","","0.0875","0.0632","","","0.1505","0.1686","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319510","7.752","0.003","12.568","0.004","7.593","0.003","90","","90","","90","","739.8","0.5","170","2","170","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H6 Cl Li N2 -","- C4 H6 Cl Li N2 -","- C16 H24 Cl4 Li4 N8 -","4","1","","Tristram Chivers; Andrew Downard; Masood Parvez; Gabriele Schatte","The Many Guises of Lithium Chloride: Crystal Structure of the Single-Strand Polymer {LiCl.2MeCN}\ιnfty","Inorganic Chemistry","2001","40","","1975","1977","10.1021/ic001175c","","","0.71069","MoKα","","0.053","0.0285","","","0.0747","0.0859","","","","","","1.034","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319819","21.2859","0.0004","12.8286","0.0001","12.6456","0.0002","90","","90","","90","","3453.11","0.09","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H42 Cl2 Cu3 N6 O17 -","- C19 H42 Cl2 Cu3 N6 O17 -","- C76 H168 Cl8 Cu12 N24 O68 -","4","1","","Javier Tercero; Carmen Diaz; Mohamed Salah El Fallah; Joan Ribas; Xavier Solans; Miguel Angel Maestro; José Mahía","Synthesis, Characterization, and Magnetic Properties of Self-assembled Compounds Based on Discrete Homotrinuclear Complexes of Cu(II)","Inorganic Chemistry","2001","40","","3077","3083","10.1021/ic001028e","","","0.71073","MoKα","","0.0607","0.0439","","","0.0931","0.1017","","","","","","1.08","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00",""
"4319927","12.154","0.01","15.125","0.016","11.03","0.007","90","","90","","90","","2028","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H25 Ag N4 O4 -","- C19 H25 Ag N4 O4 -","- C76 H100 Ag4 N16 O16 -","4","1","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.065","0.0414","","","0.0989","0.111","","","","","","1.022","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4319928","12.256","0.008","15.028","0.008","11.013","0.003","90","","90","","90","","2028.4","1.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H25 Ag N4 O4 -","- C19 H25 Ag N4 O4 -","- C76 H100 Ag4 N16 O16 -","4","1","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0741","0.0461","","","0.1044","0.1156","","","","","","1.012","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4319956","17.816","0.003","10.164","0.001","18.807","0.003","90","","90","","90","","3405.6","0.9","213","2","293","2","","","","","","","synthesis","6","P c a 21","P 2c -2ac","29","","Manganese dibromide bis(triphenylarsine oxide)","","- C36 H30 As2 Br2 Mn O2 -","- C36 H30 As2 Br2 Mn O2 -","- C144 H120 As8 Br8 Mn4 O8 -","4","1","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.0718","0.0596","","0.1601","0.1438","","","","1.097","1.077","1.077","","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320627","19.749","0.004","11.019","0.003","17.324","0.005","90","","90","","90","","3769.9","1.7","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H48 Mo N S6 -","- C34 H48 Mo N S6 -","- C136 H192 Mo4 N4 S24 -","4","1","","Antonio Cervilla; Elisa Llopis; Dolores Marco; Francisco Pérez","X-ray Structure of (Bun4N)[Mo(1,2-Benzenedithiolate)3]. Trigonal-Prismatic versus Octahedral Coordination in Tris(1,2-Benzenedithiolate) Complexes","Inorganic Chemistry","2001","40","","6525","6528","10.1021/ic010327g","","","0.71073","MoKα","","0.2813","0.0863","","0.074","0.0469","","","","1.047","1.379","1.379","","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4321032","9.645","0.003","12.679","0.006","15.332","0.004","90","","90","","90","","1874.9","1.2","190","","190","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H20 Se4 -","- C18 H20 Se4 -","- C72 H80 Se16 -","4","1","","Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian-Hua Gu; Seema Mehta; B. Mario Pinto; Xue-Min Zhou","Synthesis, Characterization, and Redox Behavior of New Selenium Coronands and of Copper(I) and Copper(II) Complexes of Selenium Coronands","Inorganic Chemistry","2000","39","","2558","2571","10.1021/ic991345p","","","0.7093","MolybdenumKα","","","0.027","","","","","","","","1.25","1.25","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4321323","17.4559","0.0003","8.3552","0.0001","15.025","0.0003","90","","90","","90","","2191.36","0.06","173","2","173","2","","","","","","","B. Lam / Prof. W. Tolman","6","P c a 21","P 2c -2ac","29","97301a","","","- C18 H39 Cl Cu N3 O4 -","- C18 H39 Cl Cu N3 O4 -","- C72 H156 Cl4 Cu4 N12 O16 -","4","1","","Bernice M. T. Lam; Jason A. Halfen; Victor G. Young,; John R. Hagadorn; Patrick L. Holland; Agustí Lledós; Lourdes Cucurull-Sánchez; Juan J. Novoa; Santiago Alvarez; William B. Tolman","Ligand Macrocycle Structural Effects on Copper-Dioxygen Reactivity","Inorganic Chemistry","2000","39","","4059","4072","10.1021/ic000248p","","","0.71073","MoKα","","0.0352","0.0285","","0.0579","0.056","","","","1.074","1.094","1.094","","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321356","17.7653","0.0003","12.4076","0.0003","10.7091","0.0003","90","","90","","90","","2360.55","0.1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H34 N8 O8 Pt2 -","- C15 H34 N8 O8 Pt2 -","- C60 H136 N32 O32 Pt8 -","4","1","","Seiji Komeda; Martin Lutz; Anthony L. Spek; Masahiko Chikuma; Jan Reedijk","New Antitumor-Active Azole-Bridged Dinuclear Platinum(II) Complexes: Synthesis, Characterization, Crystal Structures, and Cytotoxic Studies","Inorganic Chemistry","2000","39","","4230","4236","10.1021/ic000273v","","","0.71073","MoKα","","0.0294","0.0274","","","0.0707","0.0723","","","","","","1.068","","","","has coordinates,has disorder","179316","2020-10-21","18:00:00",""
"4321369","14.503","0.001","5.104","0.002","10.2019","0.0009","90","","90","","90","","755.2","0.3","295.2","","","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C2 H2 Ag Cl I N O4 -","- C2 H2 Ag Cl I N O4 -","- C8 H8 Ag4 Cl4 I4 N4 O16 -","4","1","","Ichiro Ino; Jian Chu Zhong; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Yoshinobu Kitamori","2-D Interwoven and 3-D 5-fold Interpenetrating Silver(I) Complexes of 1-(Isocyanidomethyl)-1H-benzotriazole and 1,3-Bis(dicyanomethylidene)indan","Inorganic Chemistry","2000","39","","4273","4279","10.1021/ic000459u","","","0.7107","MoKα","","","0.046","","","","0.1589","","","","","","2.618","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321456","14.17","0.004","10.623","0.003","12.362","0.004","90","","90","","90","","1860.8","1","168","2","168","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H30 Br3 Co N6 -","- C11 H30 Br3 Co N6 -","- C44 H120 Br12 Co4 N24 -","4","1","","Andrea J. Clarkson; David A. Buckingham; Andrew J. Rogers; Allan G. Blackman; Charles R. Clark","Kinetic Origin of the Chelate Effect. Base Hydrolysis, H-Exchange Reactivity, and Structures of syn,anti-[Co(cyclen)(NH3)2]3+ and syn,anti-[Co(cyclen)(diamine)]3+ Ions (diamine = H2N(CH2)2NH2, H2N(CH2)3NH2)","Inorganic Chemistry","2000","39","","4769","4775","10.1021/ic000325g","","","0.71073","MoKα","","0.0295","0.0289","","","0.0777","0.078","","","","","","1.076","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321836","14.7625","0.0018","12.22","0.002","33.672","0.005","90","","90","","90","","6074.4","1.5","130","2","130","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C64 H36 Cl12 Cu N4 O4 S2 -","- C64 H36 Cl12 Cu N4 O4 S2 -","- C256 H144 Cl48 Cu4 N16 O16 S8 -","4","1","","Noëlle Ehlinger; W. Robert Scheidt","Structure and Apparent Reactivity of the π-Cation Radical Derivatives of Zinc and Copper 5,10,15,20-Tetra(2,6-dichlorophenyl)porphyrinate","Inorganic Chemistry","1999","38","","1316","1321","10.1021/ic981041n","","","0.71073","MoKα","","0.2084","0.1185","","","0.2137","0.2656","","","","","","1.09","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321866","13.833","0.003","14.357","0.003","13.293","0.003","90","","90","","90","","2640","1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H26 Cl2 N12 O11 Pt -","- C14 H26 Cl2 N12 O11 Pt -","- C56 H104 Cl8 N48 O44 Pt4 -","4","1","","Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert","Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures","Inorganic Chemistry","1999","38","","1481","1490","10.1021/ic981005o","","","0.71069","MoKα","","0.0425","0.027","","0.0645","0.0606","","","","0.955","1.042","1.042","","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321868","13.886","0.001","14.698","0.001","13.008","0.003","90","","90","","90","","2654.9","0.7","103.2","","103.2","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H28 Cl2 N12 O10 Pt -","- C16 H28 Cl2 N12 O10 Pt -","- C64 H112 Cl8 N48 O40 Pt4 -","4","1","","Roland K. O. Sigel; Michal Sabat; Eva Freisinger; Amanda Mower; Bernhard Lippert","Metal-Modified Base Pairs Involving Different Donor Sites of Purine Nucleobases: trans-[a2Pt(7,9-DimeG-N1)(9-EtGH-N7)]2+ and trans-[a2Pt(7,9-DimeG-N1)(9-EtG-N7)]+ (a = NH3 or CH3NH2; 9-EtGH = 9-Ethylguanine; 7,9-DimeG = 7,9-Dimethylguanine). Possible Relevance to Metalated DNA Triplex Structures","Inorganic Chemistry","1999","38","","1481","1490","10.1021/ic981005o","","","0.7107","MoKalpha","","","0.0341","","","0.0444","","","","","1.528","1.528","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321928","12.763","0.008","14.058","0.007","11.602","0.008","90","0.05","90","0.05","90","0.04","2082","2","293","2","293","2","","","","","","","Tetrahydrofurane/Dichloromethane/Petrolether 60/70","7","P c a 21","P 2c -2ac","29","(6-Methyl-pyridine-2-carbaldehyde)zinc-bis(pentafluorothiophenolate)","","","- C19 H7 F10 N O S2 Zn -","- C19 H7 F10 N O S2 Zn -","- C76 H28 F40 N4 O4 S8 Zn4 -","4","1","","Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp","Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase","Inorganic Chemistry","1999","38","","1900","1907","10.1021/ic981227m","","","0.71073","MoKα","","0.1723","0.0649","","","0.1461","0.194","","","","","","1.089","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4321952","23.739","0.005","13.37","0.005","14.903","0.005","90","0.005","90","0.005","90","0.005","4730","3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H61 Cl4 N5 O17 Pd -","- C35 H61 Cl4 N5 O17 Pd -","- C140 H244 Cl16 N20 O68 Pd4 -","4","1","","Andrea Bencini; Antonio Bianchi; Vieri Fusi; Claudia Giorgi; Piero Paoletti; Jose; Antonio; Ramirez'; Barbara Valtancoli","Palladium(II) Complexation byp-Cyclophane Receptors. A Solution and Solid State Study","Inorganic Chemistry","1999","38","","2064","2070","10.1021/ic9810891","","","0.71069","MoKα","","0.2359","0.064","","0.2261","0.151","","","","0.987","1.106","1.106","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4322087","18.2688","0.0008","7.0112","0.0004","22.6479","0.001","90","","90","","90","","2900.9","0.2","196","","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H42 Cl4 Li4 N6 -","- C18 H42 Cl4 Li4 N6 -","- C72 H168 Cl16 Li16 N24 -","4","1","","Alexander Jockisch; Hubert Schmidbaur","An ""Open Cube"" Lithium Chloride Tetramer Containing Azetidine Ligands","Inorganic Chemistry","1999","38","","3014","3016","10.1021/ic9900307","","","0.71073","MoKα","","0.0548","0.0409","","0.1122","0.1015","","","","1.046","1.056","1.056","","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4322391","22.458","0.002","10.728","0.001","19.843","0.002","90","","90","","90","","4780.8","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H50 Cu2 F12 N10 O2 P2 -","- C42 H50 Cu2 F12 N10 O2 P2 -","- C168 H200 Cu8 F48 N40 O8 P8 -","4","1","","Enrico Monzani; Giuseppe Battaini; Angelo Perotti; Luigi Casella; Michele Gullotti; Laura Santagostini; Giorgio Nardin; Lucio Randaccio; Silvano Geremia; Piero Zanello; Giuliana Opromolla","Mechanistic, Structural, and Spectroscopic Studies on the Catecholase Activity of a Dinuclear Copper Complex by Dioxygen","Inorganic Chemistry","1999","38","","5359","5369","10.1021/ic990397b","","","0.9","","","0.0919","0.0893","","0.2295","0.2252","","","","1.037","1.056","1.056","","","","","has coordinates","179326","2020-10-21","18:00:00",""
"4322628","13.004","0.002","22.181","0.009","23.679","0.003","90","","90","","90","","6830","3","298.2","","298.2","","","","","","","","","5","P c a 21","P 2c -2ac","29","[NEt4][Cu5(SAd)6]","","","- C68 H110 Cu5 N S6 -","- C68 H110 Cu5 N S6 -","- C272 H440 Cu20 N4 S24 -","4","1","","Kiyoshi Fujisawa; Sadako Imai; Nobumasa Kitajima; Yoshihiko Moro-oka","Preparation, Spectroscopic Characterization, and Molecular Structure of Copper(I) Aliphatic Thiolate Complexes","Inorganic Chemistry","1998","37","","168","169","10.1021/ic971317b","","","0.7107","MoKα","","","0.048","","","0.041","","","","","2.15","2.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322670","11.837","0.004","15.648","0.005","11.002","0.011","90","","90","","90","","2038","2","296","","296","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H19 Cl4 Cu N3 O -","- C17 H19 Cl4 Cu N3 O -","- C68 H76 Cl16 Cu4 N12 O4 -","4","1","","Hongyan Luo; Phillip E. Fanwick; Mark A. Green","Synthesis and Structure of a Novel Cu(II) Complex with a Monoprotic Tetradentate Schiff Base Ligand","Inorganic Chemistry","1998","37","","1127","1130","10.1021/ic9708632","","","1.54184","Cu-Kα","","0.126","0.04","","","0.046","","","","","1.251","1.251","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323363","24.941","0.003","7.2629","0.0006","14.9985","0.0014","90","","90","","90","","2716.9","0.5","291","2","291","2","","","","","","","current publication","5","P c a 21","P 2c -2ac","29","","Tetraphenylphosphonium tris(trifluoromethyl)methylargenate(III)","","- C28 H23 Ag F9 P -","- C28 H23 Ag F9 P -","- C112 H92 Ag4 F36 P4 -","4","1","","Reint Eujen; Berthold Hoge; David J. Brauer","Preparation and NMR Spectra of the (Trifluoromethyl)argentates(III) [Ag(CF~3~)~n~X~4-n~]^-^, with X = CN (n= 1-3), CH~3~, C\τbCC~6~H~11~, Cl, Br (n= 2, 3), and I (n= 3), and of Related Silver(III) Compounds. Structures of [PPh~4~][trans-Ag(CF~3~)~2~(CN)~2~] and [PPh~4~][Ag(CF~3~)~3~CH~3~].","Inorganic Chemistry","1997","36","","1464","1475","10.1021/ic9610445","","","1.54184","CuKα","","0.038","0.032","","0.0824","0.0785","","","","1.043","1.074","1.074","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323370","11.188","0.001","30.936","0.004","23.985","0.002","90","","90","","90","","8301.5","1.5","290.2","","290.2","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H100 Ga Mo3 O47 S10 -","- C42 H100 Ga Mo3 O47 S10 -","- C168 H400 Ga4 Mo12 O188 S40 -","4","1","","Takashi Shibahara; Syoji Kobayashi; Naoki Tsuji; Genta Sakane; Minoru Fukuhara","Sulfur-Bridged Cubane-Type Molybdenum-Gallium Clusters with Mo3GaS4n+ (n = 5, 6) Cores. X-ray Structures of [Mo3GaS4(H2O)12](CH3C6H4SO3)5.14H2O and [Mo3GaS4(H2O)12](CH3C6H4SO3)6.17H2O","Inorganic Chemistry","1997","36","","1702","1706","10.1021/ic960897u","","","0.7107","MoKα","","","0.0586","","","0.0641","","","","","1.482","1.482","","","","","has coordinates","190776","2020-10-21","18:00:00",""
"4323390","27.804","0.002","17.659","0.002","27.795","0.003","90","","90","","90","","13647","2","153","2","153","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C70 H56 Cl4 F8 O3 P4 Pd2 S2 -","- C70 H56 Cl4 F8 O3 P4 Pd2 S2 -","- C560 H448 Cl32 F64 O24 P32 Pd16 S16 -","8","2","","Rafael Usón; Juan Forniés; Javier Fernández Sanz; Miguel A. Usón; Isabel Usón; Santiago Herrero","Reactions of {[Pd(μ-SC6F5)(μ-dppm)Pd](μ-SC6F5)}4.2O(C2H5)2. Crystal Structures of the Complexes [(Ph3P)Pd(μ-SC6F5)(μ-dppm)Pd(SC6F5)].1.4CH2Cl2 and [(Ph3P)Pd(μ-SC6F5)(μ-dppm)Pd(PPh3)]SO3CF3.2CH2Cl2 and ab Initio MO Calculations on the Model Systems [(H3P)Pd(μ-H2PCH2PH2)(μ-SH)Pd(PH3)]+ and [(H3P)Pd(μ-H2PCH2PH2)Pd(PH3)]2+","Inorganic Chemistry","1997","36","","1912","1922","10.1021/ic960818e","","","0.71073","MoKα","","0.0748","0.0555","","0.1341","0.1222","","","","1.005","1.026","1.026","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324148","24.0063","0.0009","6.6037","0.0003","11.6694","0.0005","90","","90","","90","","1849.95","0.13","153","2","153","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H34 Ga2 N4 -","- C12 H34 Ga2 N4 -","- C48 H136 Ga8 N16 -","4","1","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","0.71073","MoKα","","0.0545","0.033","","","0.0684","0.0753","","","","","","1.024","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324787","25.52","0.003","3.8358","0.0005","31.309","0.004","90","","90","","90","","3064.8","0.7","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","5,6,8-trifluoro-3λ^4^σ^2^,1,2,4-benzothiaselenadiazine","","- C6 H F3 N2 S Se -","- C6 H F3 N2 S Se -","- C96 H16 F48 N32 S16 Se16 -","16","4","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.0698","0.043","","","0.0923","0.1091","","","","","","1.04","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324792","16.6931","0.0014","12.1192","0.001","17.9703","0.0015","90","","90","","90","","3635.5","0.5","99","2","99","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H54 N4 O4 Si -","- C37 H54 N4 O4 Si -","- C148 H216 N16 O16 Si4 -","4","1","","Ramachandran Azhakar; Sankaranarayana Pillai Sarish; Gašper Tavčar; Herbert W. Roesky; Jakob Hey; Dietmar Stalke; Debasis Koley","Formation of Silicon Centered Spirocyclic Compounds: Reaction of N-Heterocyclic Stable Silylene with Benzoylpyridine, Diisopropyl Azodicarboxylate, and 1,2-Diphenylhydrazine","Inorganic Chemistry","2011","50","","3028","3036","10.1021/ic102566c","","","0.71073","MoKα","","0.0322","0.0293","","","0.0719","0.0737","","","","","","1.057","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324817","12.979","0.0005","12.2232","0.0005","15.0473","0.0005","90","","90","","90","","2387.18","0.16","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C21 H21 B2 F8 Fe N5 O -","- C21 H21 B2 F8 Fe N5 O -","- C84 H84 B8 F32 Fe4 N20 O4 -","4","1","","Margarita A. Gonzalez; Nicole L. Fry; Richard Burt; Riddhi Davda; Adrian Hobbs; Pradip K. Mascharak","Designed Iron Carbonyls as Carbon Monoxide (CO) Releasing Molecules: Rapid CO Release and Delivery to Myoglobin in Aqueous Buffer, and Vasorelaxation of Mouse Aorta","Inorganic Chemistry","2011","50","","3127","3134","10.1021/ic2000848","","","0.7749","synchrotron","","0.0833","0.0648","","","0.1766","0.1952","","","","","","1.036","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4325207","14.046","0.014","33.262","0.015","16.28","0.03","90","","90","","90","","7606","16","213","2","213","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C29 H47 Cl10 Fe2 N2 O11 P S3 -","- C24 H37 Fe2 N2 O11 P S3 -","- C96 H148 Fe8 N8 O44 P4 S12 -","4","1","","Michael L. Singleton; Danielle J. Crouthers; Robert P. Duttweiler; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Sulfonated Diiron Complexes as Water-Soluble Models of the [Fe-Fe]-Hydrogenase Enzyme Active Site","Inorganic Chemistry","2011","50","","5015","5026","10.1021/ic200272x","","","0.71073","MoKα","","0.1654","0.0742","","","0.1233","0.1507","","","","","","1.003","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325894","31.5673","0.0009","16.9392","0.0006","14.3896","0.0005","90","","90","","90","","7694.5","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","trans-tetrachlorido-bis(1H-pyrazole)osmium(IV)-cucurbit[7]uril hydrate","","- C48 H72.5 Cl4 N32 O25.25 Os -","- C48 H58 Cl4 N32 O25.25 Os -","- C192 H232 Cl16 N128 O101 Os4 -","4","1","","Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion","En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2]","Inorganic Chemistry","2011","50","","7690","7697","10.1021/ic200728b","","","0.71073","MoKα","","0.0714","0.0486","","","0.1187","0.131","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326227","26.03","0.003","11.536","0.001","26.408","0.002","90","","90","","90","","7929.8","1.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C37 H60 Cl Ga N2 O4 Si -","- C37 H60 Cl Ga N2 O4 Si -","- C296 H480 Cl8 Ga8 N16 O32 Si8 -","8","2","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0509","0.0416","","","0.0872","0.0914","","","","","","1.013","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326478","16.1746","0.0006","25.9544","0.001","15.7902","0.0006","90","","90","","90","","6628.8","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(Et4N)[Ni(pyN2Et2)OH]","","","- C35 H50 N4 Ni O3 -","- C35 H50 N4 Ni O3 -","- C280 H400 N32 Ni8 O24 -","8","2","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.04","0.036","","","0.0847","0.0877","","","","","","0.886","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326488","17.9232","0.0017","14.6868","0.0014","12.8923","0.0013","90","","90","","90","","3393.7","0.6","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H50 Cu F6 N2 O3 Sb -","- C28 H50 Cu F6 N2 O3 Sb -","- C112 H200 Cu4 F24 N8 O12 Sb4 -","4","1","","Pratik Verma; John Weir; Liviu Mirica; T. Daniel P. Stack","Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes","Inorganic Chemistry","2011","50","","9816","9825","10.1021/ic200958g","","","0.71073","MoKα","","0.0313","0.0277","","","0.0669","0.0688","","","","","","1.045","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326799","18.8319","0.0006","9.857","0.0002","28.2671","0.0008","90","","90","","90","","5247.1","0.2","100","","100","2","","","","","","","synthesis as described","6","P c a 21","P 2c -2ac","29","","","","- C26 H34 Co Mo O3 P -","- C26 H34 Co Mo O3 P -","- C208 H272 Co8 Mo8 O24 P8 -","8","2","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz","A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P-S Bond","Inorganic Chemistry","2011","50","","10561","10563","10.1021/ic202058h","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0918","0.0953","","","","","","1.052","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4327027","18.5879","0.0018","18.1873","0.0017","24.891","0.002","90","","90","","90","","8414.7","1.3","163","2","163","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H56 Cl6 Fe4 N24 O34 -","- C44 H56 Cl6 Fe4 N24 O34 -","- C176 H224 Cl24 Fe16 N96 O136 -","4","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71075","MoKα","","0.0649","0.0641","","","0.1836","0.1849","","","","","","1.057","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327319","14.919","0.001","11.864","0.001","16.223","0.001","90","","90","","90","","2871.5","0.4","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H15 Ir3 O10 Ru2 W -","- C27 H15 Ir3 O10 Ru2 W -","- C108 H60 Ir12 O40 Ru8 W4 -","4","1","","Gulliver T. Dalton; Lydie Viau; Susan M. Waterman; Mark G. Humphrey; Michael I. Bruce; Paul J. Low; Rachel L. Roberts; Anthony C. Willis; George A. Koutsantonis; Brian W. Skelton; Allan H. White","Mixed-Metal Cluster Chemistry. 28. Core Enlargement of Tungsten-Iridium Clusters with Alkynyl, Ethyndiyl, and Butadiyndiyl Reagents","Inorganic Chemistry","2005","44","","3261","3269","10.1021/ic050040+","","","0.71073","MoKα","","0.052","0.038","","0.05","","0.044","","","1.052","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327664","24.7386","0.0003","11.3363","0.0001","10.3987","0.0001","90","","90","","90","","2916.26","0.05","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H30 Ag2 N4 O4 -","- C30 H30 Ag2 N4 O4 -","- C120 H120 Ag8 N16 O16 -","4","1","","Stephen J. Archibald; Nathaniel W. Alcock; Daryle H. Busch; David R. Whitcomb","Synthesis and Characterization of Functionalized N,N'-Diphenylformamidinate Silver(I) Dimers: Solid-State Structures and Solution Properties","Inorganic Chemistry","1999","38","","5571","5578","10.1021/ic981270+","","","0.71073","MoKα","","0.0667","0.0488","","0.0909","0.0825","","","","1.165","1.152","1.152","","","","","has coordinates,has disorder","179379","2020-10-21","18:00:00",""
"4327795","18.7719","0.0004","5.8849","0.0001","12.4887","0.0002","90","","90","","90","","1379.64","0.04","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H16 Fe N2 -","- C17 H16 Fe N2 -","- C68 H64 Fe4 N8 -","4","1","","Rampal Pandey; Rakesh Kumar Gupta; Mohammad Shahid; Biswajit Maiti; Arvind Misra; Daya Shankar Pandey","Synthesis and Characterization of Electroactive Ferrocene Derivatives: Ferrocenylimidazoquinazoline as a Multichannel Chemosensor Selectively for Hg2+ and Pb2+ Ions in an Aqueous Environment","Inorganic Chemistry","2012","51","","298","311","10.1021/ic201663m","","","0.71073","MoKα","","0.0233","0.0226","","","0.0587","0.0591","","","","","","0.838","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327974","17.0541","0.0019","14.2024","0.0015","20.996","0.002","90","","90","","90","","5085.4","0.9","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C65 H55 B N8 Ru -","- C65 H55 B N8 Ru -","- C260 H220 B4 N32 Ru4 -","4","1","","Wen-Wen Yang; Yu-Wu Zhong; Shinpei Yoshikawa; Jiang-Yang Shao; Shigeyuki Masaoka; Ken Sakai; Jiannian Yao; Masa-aki Haga","Tuning of Redox Potentials by Introducing a Cyclometalated Bond to Bis-tridentate Ruthenium(II) Complexes Bearing Bis(N-methylbenzimidazolyl)benzene or -pyridine Ligands","Inorganic Chemistry","2012","51","","890","899","10.1021/ic2016885","","","0.71073","MoKα","","0.0655","0.0383","","","0.069","0.0771","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327975","13.418","0.002","7.4563","0.0015","17.265","0.004","90","","90","","90","","1727.3","0.6","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(1-(4-Guanidinobutyl)-1,4,7-triazacyclononane)copper(II)perchlorate","","","- C11 H27 Cl3 Cu N6 -","- C11 H27 Cl3 Cu N6 -","- C44 H108 Cl12 Cu4 N24 -","4","1","","Linda Tjioe; Tanmaya Joshi; Craig M. Forsyth; Boujemaa Moubaraki; Keith S. Murray; Joël Brugger; Bim Graham; Leone Spiccia","Phosphodiester Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Bearing Single Alkyl Guanidine Pendants","Inorganic Chemistry","2012","51","","939","953","10.1021/ic2019814","","","0.71073","MoKα","","0.0649","0.0471","","","0.0814","0.0887","","","","","","0.987","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327983","27.495","0.003","7.9456","0.0008","14.5149","0.0014","90","","90","","90","","3171","0.6","293","","298","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26 H27 Cl4 N4 O5 Ru S -","- C26 H27 Cl4 N4 O5 Ru S -","- C104 H108 Cl16 N16 O20 Ru4 S4 -","4","1","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.1613","0.0637","","0.0777","0.0476","0.0442","","","","","","1.3132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328051","19.94","0.0017","20.0602","0.0017","16.6929","0.0015","90","","90","","90","","6677.2","1","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C72 H60 Bi N17 P4 -","- C72 H60 Bi N17 P4 -","- C288 H240 Bi4 N68 P16 -","4","1","","Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe","Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons","Inorganic Chemistry","2012","51","","1127","1141","10.1021/ic202307a","","","0.71073","MoKα","","0.0732","0.0507","","","0.1088","0.1145","","","","","","1.015","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328094","15.4879","0.0007","9.8496","0.0004","20.4708","0.0006","90","","90","","90","","3122.8","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H43 Cr N3 O Si -","- C30 H43 Cr N3 O Si -","- C120 H172 Cr4 N12 O4 Si4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.0996","0.0615","","","0.1326","0.152","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328148","16.5087","0.0015","9.8707","0.0011","16.4722","0.0014","90","","90","","90","","2684.2","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C8 H27 Ge7 N3 Ni O19 -","- C8 H12 Ge7 N3 Ni O19 -","- C32 H48 Ge28 N12 Ni4 O76 -","4","1","","Wen Luo; Wen-Qin Mu; Xu Zhang; Xiang Zhang; Ya-Yang Pu; Qin-Yu Zhu; Jie Dai","3-D Germanate Constructed with Ge7 Cluster Layers and Nickel-Ethanolamine Linkage","Inorganic Chemistry","2012","51","","1489","1494","10.1021/ic201754z","","","0.71075","MoKα","","0.0518","0.0483","","","0.1132","0.1158","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328433","13.0692","0.0003","7.0568","0.0002","22.1755","0.0006","90","","90","","90","","2045.17","0.09","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","8-iodo-ortho-carborane","","- C2 H11 B10 I -","- C2 H11 B10 I -","- C16 H88 B80 I8 -","8","2","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","1.54178","CuKα","","0.0409","0.0382","","","0.0943","0.0969","","","","","","1.031","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328692","23.749","0.005","8.572","0.005","18.824","0.005","90","","90","","90","","3832","3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H39 Fe Mn N8 O5 -","- C40 H39 Fe Mn N8 O5 -","- C160 H156 Fe4 Mn4 N32 O20 -","4","1","","Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac","Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors","Inorganic Chemistry","2012","51","","3796","3812","10.1021/ic2027708","","","0.71069","MoKα","","0.0523","0.0345","","","0.0789","0.0995","","","","","","1.122","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328856","18.98","0.005","10.061","0.003","30.99","0.008","90","","90","","90","","5918","3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H23 Cl Mn2 N4 O12 -","- C24 H23 Cl Mn2 N4 O12 -","- C192 H184 Cl8 Mn16 N32 O96 -","8","2","","Celedonio M. Álvarez; Raúl García-Rodríguez; Jose M. Martín-Alvarez; Daniel Miguel; José A. Turiel","Macrocycle Formation by Proton-Template-Induced Dimerization of Complexes with (Alkoxoimino)pyridine","Inorganic Chemistry","2012","51","","3938","3940","10.1021/ic300196w","","","0.71073","MoKα","","0.0524","0.0411","","","0.0965","0.1033","","","","","","1.044","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328900","24.886","0.003","8.0909","0.001","35.751","0.005","90","","90","","90","","7198.5","1.6","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H37 F12 I N4 P2 Pt -","- C30 H37 F12 I N4 P2 Pt -","- C240 H296 F96 I8 N32 P16 Pt8 -","8","2","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","0.7749","synchrotron","","0.0403","0.0375","","","0.0873","0.0886","","","","","","0.982","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4329165","26.1009","0.0014","8.0055","0.0004","16.6468","0.0008","90","","90","","90","","3478.4","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H24 Cl2 N4 O17 Zn2 -","- C23 H24 Cl2 N4 O17 Zn2 -","- C92 H96 Cl8 N16 O68 Zn8 -","4","1","","Sellamuthu Anbu; Subban Kamalraj; Babu Varghese; Johnpaul Muthumary; Muthusamy Kandaswamy","A Series of Oxyimine-Based Macrocyclic Dinuclear Zinc(II) Complexes Enhances Phosphate Ester Hydrolysis, DNA Binding, DNA Hydrolysis, and Lactate Dehydrogenase Inhibition and Induces Apoptosis","Inorganic Chemistry","2012","51","","5580","5592","10.1021/ic202451e","","","0.71073","MoKα","","0.1139","0.0739","","","0.1909","0.2143","","","","","","1.076","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329244","22.497","0.005","12.769","0.005","19.788","0.005","90","0.005","90","0.005","90","0.005","5684","3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C61 H64 Dy N7 Ni O11 -","- C61 H64 Dy N7 Ni O11 -","- C244 H256 Dy4 N28 Ni4 O44 -","4","1","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71073","MoKα","","0.0481","0.0365","","","0.0701","0.0731","","","","","","0.933","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329485","15.5887","0.001","7.9705","0.0005","15.1076","0.0009","90","","90","","90","","1877.1","0.2","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H25 Fe -","- C24 H25 Fe -","- C96 H100 Fe4 -","4","1","","Eva-Maria Schnöckelborg; Marat M. Khusniyarov; Bas de Bruin; František Hartl; Thorsten Langer; Matthias Eul; Stephen Schulz; Rainer Pöttgen; Robert Wolf","Unraveling the Electronic Structures of Low-Valent Naphthalene and Anthracene Iron Complexes: X-ray, Spectroscopic, and Density Functional Theory Studies","Inorganic Chemistry","2012","51","","6719","6730","10.1021/ic300366m","","","0.71073","MoKα","","0.0383","0.0305","","","0.0727","0.0771","","","","","","1.03","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329577","21.8439","0.0011","10.4025","0.0005","20.645","0.0011","90","","90","","90","","4691.2","0.4","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 Dy N3 O -","- C10 H44 B6 Dy N3 O -","- C80 H352 B48 Dy8 N24 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0496","0.0364","","","0.0691","0.0724","","","","","","0.941","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329578","21.858","0.005","10.378","0.003","20.625","0.005","90","","90","","90","","4679","2","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Er(H3BNMe2BH3)3(thf)","Tris(N,N-dimethyaminodiboranato)(tetrahydrofuran)erbium(III)","","- C10 H44 B6 Er N3 O -","- C10 H44 B6 Er N3 O -","- C80 H352 B48 Er8 N24 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0299","0.0228","","","0.0473","0.0483","","","","","","0.954","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329579","22.0316","0.0007","10.4494","0.0003","20.6503","0.0006","90","","90","","90","","4754.1","0.2","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 N3 Nd O -","- C10 H44 B6 N3 Nd O -","- C80 H352 B48 N24 Nd8 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0446","0.0272","","","0.0495","0.0525","","","","","","0.92","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329582","21.936","0.003","10.3975","0.0015","20.59","0.003","90","","90","","90","","4696.2","1.2","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 N3 O Sm -","- C10 H44 B6 N3 O Sm -","- C80 H352 B48 N24 O8 Sm8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0438","0.0285","","","0.0502","0.0529","","","","","","0.9","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329583","21.989","0.005","10.426","0.003","20.651","0.005","90","","90","","90","","4734","2","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 Eu N3 O -","- C10 H44 B6 Eu N3 O -","- C80 H352 B48 Eu8 N24 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0473","0.0258","","","0.043","0.0443","","","","","","0.743","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329585","21.946","0.005","10.398","0.002","20.609","0.004","90","","90","","90","","4702.9","1.7","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 Gd N3 O -","- C10 H44 B6 Gd N3 O -","- C80 H352 B48 Gd8 N24 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0487","0.028","","","0.0539","0.0555","","","","","","0.777","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329589","21.868","0.007","10.395","0.004","20.63","0.007","90","","90","","90","","4690","3","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 N3 O Y -","- C10 H44 B6 N3 O Y -","- C80 H352 B48 N24 O8 Y8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.1126","0.0539","","","0.0744","0.0877","","","","","","1.003","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4330545","26.5336","0.0002","12.508","0.0001","44.8977","0.0003","90","","90","","90","","14900.8","0.19","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C59.5 H117 Cl3 Co N O11 P5 Ru2 -","- C59.5 H110 Cl3 Co N O11 P5 Ru2 -","- C476 H880 Cl24 Co8 N8 O88 P40 Ru16 -","8","2","","Xiao-Yi Yi; Ho-Yuen Ng; Wai-Man Cheung; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Dinuclear Ruthenium Nitrido Complexes Supported by an Oxygen Tripodal Ligand","Inorganic Chemistry","2012","51","","10529","10535","10.1021/ic300638r","","","1.54178","CuKα","","0.05","0.0327","","","0.0603","0.0644","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330710","10.523","0.005","14.382","0.005","12.667","0.005","90","","90","","90","","1917","1.4","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H20 N2 O16 Se4 V2 -","- C5 H20 N2 O16 Se4 V2 -","- C20 H80 N8 O64 Se16 V8 -","4","1","","Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist","Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks","Inorganic Chemistry","2012","51","","11040","11048","10.1021/ic3015496","","","0.71073","MoKα","","0.0224","0.0202","","0.0467","0.0455","0.0447","","","","","","0.9769","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4331144","29.1631","0.0005","12.2319","0.0002","18.7356","0.0004","90","","90","","90","","6683.4","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","7","P c a 21","P 2c -2ac","29","","3-Fluoren-9-ylidenemethyl-pyridine-2,2-bipyridinetricarbony-rhenium(I) hexafluorophosphate ethyl acetate hemisolvate","","- C68 H50 F12 N6 O8 P2 Re2 -","- C68 H50 F12 N6 O8 P2 Re2 -","- C272 H200 F48 N24 O32 P8 Re8 -","4","1","","Daniel Chartrand; Carlos A. Castro Ruiz; Garry S. Hanan","Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation","Inorganic Chemistry","2012","51","","12738","12747","10.1021/ic301559s","","","1.54178","CuKα","","0.0269","0.0264","","","0.0733","0.0738","","","","","","1.069","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331179","26.4805","0.0011","10.7835","0.0004","12.7847","0.0005","90","","90","","90","","3650.7","0.2","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","","- C22 H52 Cl4 Fe4 N4 S3 -","- C22 H52 Cl4 Fe4 N4 S3 -","- C88 H208 Cl16 Fe16 N16 S12 -","4","1","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.0469","0.0379","","","0.0805","0.0889","","","","","","1.072","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331508","23.132","0.002","10.28","0.0011","20.361","0.002","90","","90","","90","","4841.8","0.8","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C52 H70 Sm2 Te2 -","- C52 H70 Sm2 Te2 -","- C208 H280 Sm8 Te8 -","4","1","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.0216","0.0172","","","0.0398","0.0416","","","","","","1.038","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331561","17.7148","0.0007","17.1794","0.0007","21.1886","0.0009","90","","90","","90","","6448.3","0.5","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H32.5 Cl4 N3 O0.25 P2 Ru -","- C30 H32.5 Cl4.071 N3 O0.25 P2 Ru -","- C240 H260 Cl32.568 N24 O2 P16 Ru8 -","8","2","","Romerosa, Antonio; Campos-Malpartida, Tatiana; Lidrissi, Chaker; Saoud, Mustapha; Serrano-Ruiz, Manuel; Peruzzini, Maurizio; Garrido-Cárdenas, Jose Antonio; García-Maroto, Federico","Synthesis, Characterization, and DNA Binding of New Water-Soluble Cyclopentadienyl Ruthenium(II) Complexes Incorporating Phosphines","Inorganic Chemistry","2006","45","3","1289","1298","10.1021/ic051053q","","","0.71073","MoKα","","0.0666","0.063","","","0.1601","0.1659","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331654","18.4085","0.0009","18.6209","0.0009","16.9501","0.0009","90","","90","","90","","5810.2","0.5","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C34 H70 Co2 Cr3 O30 P6 Ti2 -","- C33.98 H69.98 Co2 Cr3 O30 P6 Ti2 -","- C135.92 H279.92 Co8 Cr12 O120 P24 Ti8 -","4","1","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.0497","0.039","","","0.0843","0.0889","","","","","","1.015","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331868","36.642","0.003","8.4389","0.0007","15.0328","0.0013","90","","90","","90","","4648.4","0.7","298","2","298","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H48 Ag2 F12 O3 P2 S6 -","- C36 H48 Ag2 F12 O3 P2 S6 -","- C144 H192 Ag8 F48 O12 P8 S24 -","4","1","","Seo, Joobeom; Song, Mi Ryoung; Lee, Ji-Eun; Lee, So Young; Yoon, Il; Park, Ki-Min; Kim, Jineun; Jung, Jong Hwa; Park, Sung Bae; Lee, Shim Sung","Exo-Coordination-Based Supramolecular Silver(I) Complexes of S2O Macrocycles: Effect of Ligand Isomerism on the Structural Diversity","Inorganic Chemistry","2006","45","3","952","954","10.1021/ic051764o","","","0.71073","MoKα","","0.1888","0.0527","","","0.1047","0.1456","","","","","","1.002","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331987","29.602","0.006","7.2524","0.0015","13.346","0.003","90","","90","","90","","2865.2","1.1","90","0.2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C2 H7 Hg2 I4 N O S -","- C2 H7 Hg2 I4 N O S -","- C16 H56 Hg16 I32 N8 O8 S8 -","8","2","","Bharara, Mohan S.; Parkin, Sean; Atwood, David A.","Solution and Solid-State Study of Heteroleptic Hg(II)-Thiolates: Crystal Structures of [Hg4I4(SCH2CH2NH2)4] and [Hg4I8(SCH2CH2NH3)2]n·nH2O","Inorganic Chemistry","2006","45","5","2112","2118","10.1021/ic051993a","","","0.71073","MoKα","","0.058","0.0494","","","0.117","0.1223","","","","","","1.011","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4332013","12.5631","0.0006","10.9887","0.0005","21.271","0.0009","90","","90","","90","","2936.5","0.2","150","1","150","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H24 Ag2 B2 F8 N8 S4 -","- C18 H24 Ag2 B2 F8 N8 S4 -","- C72 H96 Ag8 B8 F32 N32 S16 -","4","1","","Silva, Rosalice M.; Smith, Mark D.; Gardinier, James R.","Anion- and Solvent-Directed Assembly in Silver Bis(thioimidazolyl)methane Chemistry and the Silver−Sulfur Interaction","Inorganic Chemistry","2006","45","5","2132","2142","10.1021/ic052025a","","","0.71073","MoKα","","0.0325","0.031","","","0.0777","0.0788","","","","","","1.039","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332157","20.378","0.004","9.7947","0.0018","10.0517","0.0019","90","","90","","90","","2006.3","0.7","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C7 H23 N2 O15 P4 Ru2 -","- C7 H23 N2 O15 P4 Ru2 -","- C28 H92 N8 O60 P16 Ru8 -","4","1","","Liu, Bin; Yin, Ping; Yi,; Gao, Song; Zheng, Li-Min","Template- and pH-Directed Assembly of Diruthenium Diphosphonates with Different Topologies and Oxidation States","Inorganic Chemistry","2006","45","10","4205","4213","10.1021/ic060041h","","","0.71073","MoKα","","0.0482","0.0421","","","0.0849","0.0866","","","","","","1.125","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332302","14.3218","0.0015","26.6005","0.0015","30.184","0.003","90","","90","","90","","11499.1","1.8","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C68 H152 Mn2 Mo8 N4 O18 S24 -","- C68 H152 Mn2 Mo8 N4 O18 S24 -","- C272 H608 Mn8 Mo32 N16 O72 S96 -","4","1","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark","Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+","Inorganic Chemistry","2006","45","10","4284","4302","10.1021/ic060205u","","","0.71073","MoKα","","0.0571","0.0364","","","0.0747","0.0836","","","","","","1.065","","","","has coordinates,has disorder","179426","2020-10-21","18:00:00",""
"4332791","21.37","0.004","14.035","0.003","38.065","0.008","90","","90","","90","","11417","4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C46 H90 Ga Ge K N4 Si4 -","- C46 H90 Ga Ge K N4 Si4 -","- C368 H720 Ga8 Ge8 K8 N32 Si32 -","8","2","","Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas","Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies","Inorganic Chemistry","2006","45","18","7242","7251","10.1021/ic060851t","","","0.71073","MoKα","","0.0702","0.0474","","","0.0928","0.1038","","","","","","1.026","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332905","20.0048","0.0013","7.2039","0.0005","12.2673","0.0008","90","","90","","90","","1767.9","0.2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C4 H18 Fe2 N2 O17 S3 -","- C4 H18 Fe2 N2 O17 S3 -","- C16 H72 Fe8 N8 O68 S12 -","4","1","","Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong","Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions","Inorganic Chemistry","2006","45","20","8452","8458","10.1021/ic061059v","","","0.71073","MoKα","","0.0345","0.0302","","","0.0612","0.0631","","","","","","1.045","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333112","26.3429","0.0009","9.8941","0.0003","29.148","0.001","90","","90","","90","","7597.1","0.4","273","2","273","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C80 H80 Fe2 N6 O4 P4 S4 -","- C40 H40 Fe N3 O2 P2 S2 -","- C320 H320 Fe8 N24 O16 P16 S16 -","8","2","","Lu, Tsai-Te; Chiou, Show-Jen; Chen, Chun-Yu; Liaw, Wen-Feng","Mononitrosyl Tris(Thiolate) Iron Complex [Fe(NO)(SPh)3]-and Dinitrosyl Iron Complex [(EtS)2Fe(NO)2]-: Formation Pathway of Dinitrosyl Iron Complexes (DNICs) from Nitrosylation of Biomimetic Rubredoxin [Fe(SR)4]2-/1-(R = Ph, Et)","Inorganic Chemistry","2006","45","21","8799","8806","10.1021/ic061439g","","","0.71073","MoKα","","0.1251","0.07","","","0.1168","0.1412","","","","","","0.892","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333114","17.319","","15.226","","21.529","0.0012","90","","90","","90","","5677.2","0.3","130.15","","130.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C23.5 H25 Cl2 N2 O3 Re Si2 -","- C23.5 H25 Cl2 N2 O3 Re Si2 -","- C188 H200 Cl16 N16 O24 Re8 Si16 -","8","2","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent Hepta- and Tetradecanuclear Complexes of 5,5‘-Diethynyl-2,2‘-bipyridine Capped with Triangular Trinuclear Cu3/Ag3Cluster Units","Inorganic Chemistry","2006","45","25","10371","10377","10.1021/ic061448p","","","0.71073","MoKα","","0.0304","0.0299","","","0.0761","0.0764","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4333161","24.5142","0.0017","4.9526","0.0003","34.174","0.002","90","","90","","90","","4149","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H19 N3 O3 Pt -","- C24 H19 N3 O3 Pt -","- C192 H152 N24 O24 Pt8 -","8","2","","He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang","Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence","Inorganic Chemistry","2006","45","26","10922","10937","10.1021/ic061566c","","","0.71073","MoKα","","0.0778","0.0453","","","0.0965","0.1105","","","","","","0.99","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333353","22.4122","0.0009","12.0086","0.0003","18.885","0.0005","90","","90","","90","","5082.7","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H160 B10 N10 O0.25 -","- C22 H88 B5 N5 O22 -","- C88 H352 B20 N20 O88 -","4","1","","Ramachandran, P. Veeraraghavan; Gagare, Pravin D.","Preparation of Ammonia Borane in High Yield and Purity, Methanolysis, and Regeneration","Inorganic Chemistry","2007","46","19","7810","7817","10.1021/ic700772a","","","0.71073","MoKα","","0.0706","0.0509","","","0.1016","0.113","","","","","","1.062","","","","has coordinates,has disorder","179436","2020-10-21","18:00:00",""
"4333749","16.4326","0.0005","22.3721","0.0006","16.2384","0.0005","90","","90","","90","","5969.8","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","K+(18-crown-6)[CpCr(CO)2(IMe)]","","","- C52 H82 Cr2 K2 N4 O17 -","- C52 H82 Cr2 K2 N4 O17 -","- C208 H328 Cr8 K8 N16 O68 -","4","1","","Edwin F. van der Eide; Monte L. Helm; Eric D. Walter; R. Morris Bullock","Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr-H Bonds","Inorganic Chemistry","2013","52","","1591","1603","10.1021/ic302460y","","","0.71073","MoKα","","0.0476","0.034","","","0.0741","0.0791","","","","","","1.021","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4334954","20.6804","0.0009","8.25","0.0004","10.0422","0.0004","90","","90","","90","","1713.33","0.13","173","","173","","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C17 H16 Cl3 N3 -","- C17 H16 Cl3 N3 -","- C68 H64 Cl12 N12 -","4","1","","Lars-Arne Schaper; Lilian Graser; Xuhui Wei; Rui Zhong; Karl Öfele; Alexander Pöthig; Mirza Cokoja; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Exploring the Scope of a Novel Ligand Class: Synthesis and Catalytic Examination of Metal Complexes with 'Normal' 1,2,3-Triazolylidene Ligands","Inorganic Chemistry","2013","52","","6142","6152","10.1021/ic400533u","","x-ray","0.71073","MoKα","","0.0188","0.018","","","0.0482","0.0489","","","","","","1.085","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4335164","28.7509","0.0009","14.9598","0.0005","24.9847","0.0008","90","","90","","90","","10746.1","0.6","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C45 H33 Cl N10 O10 Os2 -","- C45 H33 Cl N10 O10 Os2 -","- C360 H264 Cl8 N80 O80 Os16 -","8","2","","Shyamal Das; Srikanta Karmakar; Debasish Saha; Sujoy Baitalik","A Combined Experimental and DFT/TD-DFT Investigation of Structural, Electronic, and Cation-Induced Switching of Photophysical Properties of Bimetallic Ru(II) and Os(II) Complexes Derived from Imidazole-4,5-Dicarboxylic Acid and 2,2'-Bipyridine","Inorganic Chemistry","2013","52","","6860","6879","10.1021/ic302566p","","","0.71073","MoKα","","0.0802","0.054","","","0.1457","0.1625","","","","","","0.827","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335269","9.784","0.0003","11.0429","0.0004","6.5982","0.0002","90","","90","","90","","712.89","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","ethyl-2(1H-tetrazole-5-yl)acetate","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C20 H32 N16 O8 -","4","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0267","0.0255","","","0.0669","0.0679","","","","","","1.073","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335430","41.848","0.002","10.7417","0.0006","19.6602","0.0012","90","","90","","90","","8837.6","0.8","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[Cu2(1,4-dppeb)3]I2","","","- C103 H74 Cl2 Cu2 I2 P6 -","- C103 H74 Cl2 Cu2 I2 P6 -","- C412 H296 Cl8 Cu8 I8 P24 -","4","1","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0728","0.0551","","","0.1414","0.1791","","","","","","1.179","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335681","14.131","0.004","16.013","0.005","32.378","0.01","90","","90","","90","","7326","4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","LCu(OTHF)Na","","","- C64 H78 Cu2 N12 Na2 O8 -","- C64 H78 Cu2 N12 Na2 O8 -","- C256 H312 Cu8 N48 Na8 O32 -","4","1","","Mohammad Reza Halvagar; William B. Tolman","Isolation of a 2-Hydroxytetrahydrofuran Complex from Copper-Promoted Hydroxylation of THF","Inorganic Chemistry","2013","52","","8306","8308","10.1021/ic401446s","","neutron","0.71073","MoKα","","0.1657","0.0916","","","0.1953","0.2277","","","","","","0.897","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4336847","16.0756","0.0005","8.3203","0.0003","12.2323","0.0004","90","","90","","90","","1636.12","0.09","173","","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","Ni(ANG)2(ClO4)2(H2O)2","Bis(3-amino-1-nitroguanidine)nickel(II) perchlorate dihydrate","","- C2 H14 Cl2 N10 Ni O14 -","- C2 H14 Cl2 N10 Ni O14 -","- C8 H56 Cl8 N40 Ni4 O56 -","4","1","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0491","0.0327","","","0.0539","0.0563","","","","","","0.875","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4337103","13.7433","0.0002","21.0614","0.0003","13.1858","0.0001","90","","90","","90","","3816.67","0.08","183","2","183","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis(4-Fluorophenylethynyl)-(1,1'-dipentyl-3,3'-methylene-bis(benzimidazoline) -2,2'-diylidene)-platinum(II) methanol water solvate 1/1/1","","- C42 H46 F2 N4 O2 Pt -","- C42 H46 F2 N4 O2 Pt -","- C168 H184 F8 N16 O8 Pt4 -","4","1","","Zhang, Yuzhen; Clavadetscher, Jessica; Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Tuning the Luminescent Properties of Pt(II) Acetylide Complexes through Varying the Electronic Properties of N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2014","53","2","756","771","10.1021/ic401841n","","","0.7107","MoKα","","0.058","0.0347","","","0.0579","0.0653","","","","","","1.014","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337152","16.1177","0.001","8.5924","0.0005","29.2109","0.0019","90","","90","","90","","4045.4","0.4","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H22 Cl2 N2 O Ru -","- C22 H22 Cl2 N2 O Ru -","- C176 H176 Cl16 N16 O8 Ru8 -","8","2","","Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C.","Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents.","Inorganic chemistry","2014","53","2","727","736","10.1021/ic401529u","","","0.71073","MoKα","","0.0354","0.0316","","","0.0773","0.08","","","","","","1.069","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337185","22.2729","0.0012","14.7254","0.0008","11.6178","0.0006","90","","90","","90","","3810.4","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H50 Cl2 O Os P2 -","- C42 H50 Cl2 O Os P2 -","- C168 H200 Cl8 O4 Os4 P8 -","4","1","","Alós, Joaquín; Bolaño, Tamara; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","POP-Pincer Ruthenium Complexes: d(6) Counterparts of Osmium d(4) Species.","Inorganic chemistry","2014","53","2","1195","1209","10.1021/ic402795g","","","0.71073","MoKα","","0.0377","0.0279","","","0.0601","0.066","","","","","","1.008","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337306","22.4764","0.0012","12.8315","0.0007","19.7813","0.001","90","","90","","90","","5705","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C61 H64 N7 O11 Yb Zn -","- C61 H64 N7 O11 Yb Zn -","- C244 H256 N28 O44 Yb4 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71073","MoKα","","0.037","0.0319","","","0.0693","0.0723","","","","","","1.037","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337307","22.664","0.005","12.828","0.005","19.893","0.005","90","0.005","90","0.005","90","0.005","5784","3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H61 N6 Nd O14 Zn -","- C59 H61 N6 Nd O14 Zn -","- C236 H244 N24 Nd4 O56 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71069","MoKα","","0.0467","0.0409","","","0.0914","0.0965","","","","","","1.041","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337977","45.53","0.013","9.782","0.003","12.033","0.003","90","","90","","90","","5359","3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H40 Co11 N2 O23 -","- C41 H40 Co11 N2 O23 -","- C164 H160 Co44 N8 O92 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.1211","0.0869","","","0.2148","0.2467","","","","","","1.01","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4338253","7.616","0.002","13.133","0.005","16.922","0.006","90","","90","","90","","1692.6","1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Kumar, Ashish; Dubey, Mrigendra; Pandey, Rampal; Gupta, Rakesh Kumar; Kumar, Amit; Kalita, Alok Ch; Pandey, Daya Shankar","A Schiff Base and Its Copper(II) Complex as a Highly Selective Chemodosimeter for Mercury(II) Involving Preferential Hydrolysis of Aldimine over an Ester Group.","Inorganic chemistry","2014","53","10","4944","4955","10.1021/ic403149b","","","0.71075","MoKα","","0.038","0.0353","","","0.0789","0.0805","","","","","","0.976","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338287","10.432","0.0006","33.6664","0.0018","11.2227","0.0006","90","","90","","90","","3941.5","0.4","143","1","143","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H23 B10 F3 O3 S3 -","- C5 H23 B10 F3 O3 S3 -","- C40 H184 B80 F24 O24 S24 -","8","2","","Berkeley, Emily R.; Ewing, William C.; Carroll, Patrick J.; Sneddon, Larry G.","Synthesis, Structural Characterization, and Reactivity Studies of 5-CF3SO3-B10H13.","Inorganic chemistry","2014","53","10","5348","5358","10.1021/ic500684b","","","0.71073","MoKα","","0.0293","0.0278","","","0.0714","0.0736","","","","","","1.085","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338337","7.6361","0.0001","10.8298","0.0001","7.6564","0.0001","90","","90","","90","","633.165","0.013","298","0.2","298","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- In Nb O8 Te2 -","- In Nb O8 Te2 -","- In4 Nb4 O32 Te8 -","4","1","","Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min","Strong Second Harmonic Generation (SHG) Originating from Combined Second-Order Jahn-Teller (SOJT) Distortive Cations in a New Noncentrosymmetric Tellurite, InNb(TeO4)2.","Inorganic chemistry","2014","53","10","5240","5245","10.1021/ic5004337","","","0.71073","MoKα","","0.0146","0.0141","","","0.0295","0.0296","","","","","","1.078","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338398","29.888","0.003","13.4602","0.0015","16.7818","0.0019","90","","90","","90","","6751.3","1.3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","iPr2LCuCl","","","- C32 H40 Cl Cu N3 O -","- C32 H40 Cl Cu N3 O -","- C256 H320 Cl8 Cu8 N24 O8 -","8","2","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0734","0.0468","","","0.0923","0.0992","","","","","","1.009","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338953","16.4817","0.0007","7.8604","0.0002","21.8412","0.0009","90","","90","","90","","2829.59","0.18","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","Compound jf459a","","","- C15 H32 Ag2 F6 N4 O9 S2 -","- C15 H32 Ag2 F6 N4 O9 S2 -","- C60 H128 Ag8 F24 N16 O36 S8 -","4","1","","Fielden, John; Long, De-liang; Slawin, Alexandra M. Z.; Kögerler, Paul; Cronin, Leroy","Ligand and counterion control of Ag(I) architectures: assembly of a {Ag8} ring cluster mediated by hydrophobic and Ag...Ag interactions.","Inorganic chemistry","2007","46","22","9090","9097","10.1021/ic700872b","","","0.71073","MoKα","","0.079","0.062","","","0.151","0.16","","","","","","1.056","","","","has coordinates,has disorder","179492","2020-10-21","18:00:00",""
"4338987","14.4369","0.0008","12.5461","0.0007","13.4794","0.0007","90","","90","","90","","2441.5","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H15 N3 O10 P2 W2 -","- C16 H15 N3 O10 P2 W2 -","- C64 H60 N12 O40 P8 W8 -","4","1","","Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.","Comparisons of phosphorus ligation properties in P(CH2NR)3P.","Inorganic chemistry","2007","46","22","9351","9363","10.1021/ic0703070","","","0.71073","MoKα","","0.0253","0.0226","","","0.056","0.0569","","","","","","1.053","","","","has coordinates,has disorder","179492","2020-10-21","18:00:00",""
"4339017","13.9644","0.0019","6.9088","0.001","16.034","0.002","90","","90","","90","","1546.9","0.4","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Bis(octahydrotriborato)bis(dimethylether)magnesium(II)","","","- C4 H28 B6 Mg O2 -","- C4 H28 B6 Mg O2 -","- C16 H112 B24 Mg4 O8 -","4","1","","Kim, Do Young; Yang, Yu; Abelson, John R.; Girolami, Gregory S.","Volatile magnesium octahydrotriborate complexes as potential CVD precursors to MgB2. Synthesis and characterization of Mg(B3H8)2 and its etherates.","Inorganic chemistry","2007","46","22","9060","9066","10.1021/ic701037t","","","0.71073","MoKα","","0.0652","0.0347","","","0.0725","0.0796","","","","","","0.908","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339121","10.804","0.002","13.453","0.003","11.166","0.002","90","","90","","90","","1622.9","0.6","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H12 F2 Mn N5 O2 -","- C16 H12 F2 Mn N5 O2 -","- C64 H48 F8 Mn4 N20 O8 -","4","1","","Yuan, Mei; Zhao, Fei; Zhang, Wen; Wang, Zhe-Ming; Gao, Song","Azide-bridged one-dimensional Mn(III) polymers: effects of side group of Schiff base ligands on structure and magnetism.","Inorganic chemistry","2007","46","26","11235","11242","10.1021/ic701655w","","","0.71073","MoKα","","0.0799","0.0352","","","0.0626","0.0703","","","","","","1.012","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339126","12.8334","0.0005","13.9647","0.0005","8.3343","0.0003","90","","90","","90","","1493.63","0.1","293.1","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H23 Li N2 -","- C17 H23 Li N2 -","- C68 H92 Li4 N8 -","4","1","","Cipot-Wechsler, Judy; Ali, Adeeb Al-Sheikh; Chapman, Erin E.; Cameron, T. Stanley; Thompson, Alison","Synthesis and reactivity of a dipyrrinatolithium complex.","Inorganic chemistry","2007","46","26","10947","10949","10.1021/ic701369h","","","0.7107","MoKα","","","0.0496","","","","0.0766","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339201","10.607","0.003","9.438","0.003","11.346","0.004","90","","90","","90","","1135.8","0.6","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C2 H9 N Np O11 P2 -","- C2 H9 N Np O11 P2 -","- C8 H36 N4 Np4 O44 P8 -","4","1","","Bray, Travis H.; Nelson, Anna-Gay D; Jin, Geng Bang; Haire, Richard G.; Albrecht-Schmitt, Thomas E","In situ hydrothermal reduction of neptunium(VI) as a route to neptunium(IV) phosphonates.","Inorganic chemistry","2007","46","26","10959","10961","10.1021/ic702136h","","","0.71073","MoKα","","0.0193","0.0182","","","0.0429","0.0432","","","","","","0.938","","","","has coordinates","179495","2020-10-21","18:00:00",""
"4339554","28.9585","0.0009","8.1509","0.0001","19.6548","0.0006","90","","90","","90","","4639.3","0.2","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H64 Ga N5 O16 P -","- C43 H51 Ga N5 O16 P -","- C172 H204 Ga4 N20 O64 P4 -","4","1","","Yang, Chang-Tong; Li, Yongxin; Liu, Shuang","Synthesis and structural characterization of complexes of a DO3A-conjugated triphenylphosphonium cation with diagnostically important metal ions.","Inorganic chemistry","2007","46","21","8988","8997","10.1021/ic7010452","","","0.71073","MO-Kα","","0.061","0.043","","","0.094","0.1","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339645","16.191","0.002","8.1589","0.001","40.17","0.005","90","","90","","90","","5306.5","1.1","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H36 N2 O4 P2 -","- C24 H36 N2 O4 P2 -","- C192 H288 N16 O32 P16 -","8","2","","Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara","Molecularly nonstoichiometric crystals in phosphorus compounds.","Inorganic chemistry","2007","46","23","9819","9826","10.1021/ic701173x","","","0.71073","MoKα","","0.0462","0.0382","","","0.0963","0.1008","","","","","","1.046","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339648","16.2414","0.0017","8.1762","0.0009","40.054","0.004","90","","90","","90","","5318.9","1","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H36 N2 O3.73 P2 -","- C24 H36 N2 O3.7275 P2 -","- C192 H288 N16 O29.82 P16 -","8","2","","Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara","Molecularly nonstoichiometric crystals in phosphorus compounds.","Inorganic chemistry","2007","46","23","9819","9826","10.1021/ic701173x","","","0.71073","MoKα","","0.1384","0.0806","","","0.1816","0.2081","","","","","","0.996","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339674","17.6846","0.0008","13.7662","0.0008","22.0391","0.0013","90","","90","","90","","5365.4","0.5","273","2","273","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C56.28 H58.2 Cl2 Cu N7 O10.32 P4 -","- C48 H35 Cl2 Cu N7 O8 P4 -","- C192 H140 Cl8 Cu4 N28 O32 P16 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Derwahl, Andreas; Kirk, Steve; Otter, Carl A.","Conformationally rigid chelate rings in metal complexes of pyridyloxy-substituted 2,2'-dioxybiphenyl-cyclotetra- and cyclotriphosphazene platforms.","Inorganic chemistry","2007","46","23","9841","9852","10.1021/ic701241v","","","0.71073","MoKα","","0.1011","0.0684","","","0.1546","0.1689","","","","","","0.958","","","","has coordinates,has disorder","179499","2020-10-21","18:00:00",""
"4339840","8.2607","0.0005","13.0802","0.0008","16.9503","0.0011","90","","90","","90","","1831.5","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H20 N2 O14 P4 Zn2 -","- C6 H20 N2 O14 P4 Zn2 -","- C24 H80 N8 O56 P16 Zn8 -","4","1","","Wu, Jie; Hou, Hongwei; Han, Huayun; Fan, Yaoting","Highly selective ferric ion sorption and exchange by crystalline metal phosphonates constructed from tetraphosphonic acids.","Inorganic chemistry","2007","46","19","7960","7970","10.1021/ic062014x","","","0.71073","MoKα","","0.0338","0.0271","","","0.0649","0.0686","","","","","","1.016","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4339924","19.0404","0.0018","13.3413","0.0012","13.7702","0.0013","90","","90","","90","","3498","0.6","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25.5 H48 Cl2 N12 O2 P4 Ru -","- C25.5 H48 Cl2 N12 O2 P4 Ru -","- C102 H192 Cl8 N48 O8 P16 Ru4 -","4","1","","Mebi, Charles A.; Frost, Brian J.","Isomerization of trans-[Ru(PTA)4Cl2] to cis-[Ru(PTA)4Cl2] in water and organic solvent: revisiting the chemistry of [Ru(PTA)4Cl2].","Inorganic chemistry","2007","46","17","7115","7120","10.1021/ic700971n","","","0.71073","MoKα","","0.0936","0.054","","","0.0941","0.1042","","","","","","0.826","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340158","37.741","0.011","16.381","0.005","17.663","0.005","90","","90","","90","","10920","6","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H41 Mo N O2 S4 -","- C21 H41 Mo N O2 S4 -","- C336 H656 Mo16 N16 O32 S64 -","16","4","","Wang, Jun-Jieh; Tessier, Christian; Holm, R. H.","Analogue reaction systems of selenate reductase.","Inorganic chemistry","2006","45","7","2979","2988","10.1021/ic0521630","","","0.71073","MoKα","","0.1123","0.0734","","","0.1425","0.1617","","","","","","1.209","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340278","14.1141","0.0007","7.0276","0.0004","16.4602","0.0009","90","","90","","90","","1632.66","0.15","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","trimethylammonium-2,4-diiodo-nido-7,8-dicarbanonacarborane","","- C5 H20 B9 I2 N -","- C5 H20 B9 I2 N -","- C20 H80 B36 I8 N4 -","4","1","","Ramachandran, Bhaskar M.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Synthesis and structural characterization of symmetrical closo-4,7-I2-1,2-C2B10H10 and [(CH3)3NH][nido-2,4-I2-7,8-C2B9H10].","Inorganic chemistry","2006","45","1","336","340","10.1021/ic051395w","","","0.71073","MoKα","","0.0246","0.022","","","0.0623","0.0639","","","","","","1.018","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340307","25.9877","0.0014","13.4134","0.0008","6.8232","0.0004","90","","90","","90","","2378.5","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H15 Au3 N6 S3 -","- C21 H15 Au3 N6 S3 -","- C84 H60 Au12 N24 S12 -","4","1","","Earl, Lyndsey D.; Nagle, Jeffrey K.; Wolf, Michael O.","Tuning the extended structure and electronic properties of gold(i) thienyl pyrazolates.","Inorganic chemistry","2014","53","14","7106","7117","10.1021/ic4031365","","","0.71073","MoKα","","0.072","0.0409","","","0.0658","0.075","","","","","","1.042","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340311","13.685","0.0007","19.4779","0.0011","8.0751","0.0005","90","","90","","90","","2152.5","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H21 B2 N4 P -","- C26 H21 B2 N4 P -","- C104 H84 B8 N16 P4 -","4","1","","Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.","Mono-, di-, and triborylphosphine analogues of triarylphosphines.","Inorganic chemistry","2014","53","14","7763","7769","10.1021/ic501133n","","","0.71073","MoKα","","0.0625","0.0433","","","0.0907","0.0992","","","","","","1.052","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340567","26.3721","0.0009","17.9946","0.0006","19.9695","0.0007","90","","90","","90","","9476.6","0.6","175","2","175","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","tetrabutylammonium octakis(thiocyanato-N)uranate(IV)","","- C76 H150 N14 S8 U -","- C76 H150 N14 S8 U -","- C304 H600 N56 S32 U4 -","4","1","","Hashem, Emtithal; Platts, James A.; Hartl, František; Lorusso, Giulia; Evangelisti, Marco; Schulzke, Carola; Baker, Robert J.","Thiocyanate complexes of uranium in multiple oxidation States: a combined structural, magnetic, spectroscopic, spectroelectrochemical, and theoretical study.","Inorganic chemistry","2014","53","16","8624","8637","10.1021/ic501236j","","","1.54178","CuKα","","0.0375","0.0343","","","0.0821","0.0839","","","","","","1.031","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340586","15.158","0.005","9.974","0.003","13.629","0.004","90","","90","","90","","2060.5","1.1","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2","","","- C18 H33 Cl2 Ge P -","- C18 H33 Cl2 Ge P -","- C72 H132 Cl8 Ge4 P4 -","4","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0197","0.0189","","","0.0506","0.051","","","","","","1.058","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4341382","23.6311","0.0005","9.3745","0.0002","37.0046","0.0009","90","","90","","90","","8197.6","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H39 Cu3 N6 O6 -","- C39 H39 Cu3 N6 O6 -","- C312 H312 Cu24 N48 O48 -","8","2","","Xiao, Qiong; Zheng, Ji; Li, Mian; Zhan, Shun-Ze; Wang, Jun-Hao; Li, Dan","Mechanically triggered fluorescence/phosphorescence switching in the excimers of planar trinuclear copper(i) pyrazolate complexes.","Inorganic chemistry","2014","53","21","11604","11615","10.1021/ic5016687","","","1.54184","CuKα","","0.0722","0.0598","","","0.1722","0.1892","","","","","","1.03","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341483","25.9609","0.0005","16.7409","0.0004","27.4125","0.0006","90","","90","","90","","11913.7","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C128 H90 N24 O19 Re6 -","- C128 H88 N24 O19 Re6 -","- C512 H352 N96 O76 Re24 -","4","1","","Shankar, Bhaskaran; Elumalai, Palani; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid metallocavitands with eight calixarene-shaped receptors on the surface.","Inorganic chemistry","2014","53","19","10018","10020","10.1021/ic5014895","","","0.71073","MoKα","","0.0343","0.0291","","","0.0537","0.0555","","","","","","1.035","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341686","31.89","0.006","11.82","0.002","29.22","0.006","90","","90","","90","","11014","4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C68 H118 Cl5 Cu2 Dy7 N4 O45 -","- C68 H86 Cl5 Cu2 Dy7 N4 O45 -","- C272 H344 Cl20 Cu8 Dy28 N16 O180 -","4","1","","Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.","Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect","Inorganic Chemistry","2014","","","141119100121008","","10.1021/ic5023467","","","0.71078","synchrotron","","0.0351","0.0337","","","0.0931","0.0939","","","","","","1.017","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341687","32.1","0.006","11.9","0.002","29.42","0.006","90","","90","","90","","11238","4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C69 H122 Cl5 Cu2 Gd7 N4 O46 -","- C69 H89 Cl5 Cu2 Gd7 N4 O46 -","- C276 H356 Cl20 Cu8 Gd28 N16 O184 -","4","1","","Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.","Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect","Inorganic Chemistry","2014","","","141119100121008","","10.1021/ic5023467","","","0.71078","synchrotron","","0.0377","0.037","","","0.1071","0.1076","","","","","","1.036","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341689","32.02","0.006","11.84","0.002","29.39","0.006","90","","90","","90","","11142","4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C68 H120 Cl5 Cu2 N4 O46 Tb7 -","- C68 H86 Cl5 Cu2 N4 O46 Tb7 -","- C272 H344 Cl20 Cu8 N16 O184 Tb28 -","4","1","","Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.","Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect","Inorganic Chemistry","2014","","","141119100121008","","10.1021/ic5023467","","","0.71078","synchrotron","","0.0389","0.0376","","","0.1057","0.1066","","","","","","1.036","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4342075","17.8451","0.0004","9.615","0.0002","35.866","0.0007","90","","90","","90","","6153.9","0.2","133","2","133","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H40 Ba N8 S2 -","- C26 H40 Ba N8 S2 -","- C208 H320 Ba8 N64 S16 -","8","2","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0536","0.0418","","","0.0758","0.0805","","","","","","1.13","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342387","18.5536","0.001","8.6768","0.0004","14.9938","0.0006","90","","90","","90","","2413.8","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl F6 Mn N5 P -","- C19 H33 Cl F6 Mn N5 P -","- C76 H132 Cl4 F24 Mn4 N20 P4 -","4","1","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.0387","0.0337","","","0.0832","0.0848","","","","","","1.021","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342388","18.5989","0.0009","8.6434","0.0006","14.8745","0.0007","90","","90","","90","","2391.2","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl F6 Fe N5 P -","- C19 H33 Cl F6 Fe N5 P -","- C76 H132 Cl4 F24 Fe4 N20 P4 -","4","1","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.035","0.0263","","","0.0538","0.0551","","","","","","0.898","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342389","18.6711","0.0013","8.6259","0.001","14.8088","0.001","90","","90","","90","","2385","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl Co F6 N5 P -","- C19 H33 Cl Co F6 N5 P -","- C76 H132 Cl4 Co4 F24 N20 P4 -","4","1","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.0615","0.0329","","","0.0584","0.0637","","","","","","0.8","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4343239","20.9017","0.0011","15.6536","0.0008","21.5227","0.0011","90","","90","","90","","7041.9","0.6","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","MacLean_NLM_1_045","","","- C40 H41 Br Mn N3 O P2 -","- C40 H41 Br Mn N3 O P2 -","- C320 H328 Br8 Mn8 N24 O8 P16 -","8","2","","Mukhopadhyay, Tufan K.; MacLean, Nicholas L.; Gan, Lu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Jones, Anne K.; Trovitch, Ryan J.","Carbon Dioxide Promoted H(+) Reduction Using a Bis(imino)pyridine Manganese Electrocatalyst.","Inorganic chemistry","2015","54","9","4475","4482","10.1021/acs.inorgchem.5b00315","","","0.71073","MoKα","","0.0474","0.0323","","","0.0545","0.0571","","","","","","0.859","","","","has coordinates","137960","2020-10-21","18:00:00",""
"4343725","9.346","","12.786","","9.397","","90","","90","","90","","1122.92","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","(Xe F5)2 (Pd F6)","","- F16 Pd Xe2 -","- F16 Pd Xe2 -","- F64 Pd4 Xe8 -","4","1","","Leary, K.; Zalkin, A.; Templeton, D.H.; Bartlett, N.","Crystal Structure of (XeF5(2+) (PdF6(2-))","Inorganic Chemistry","1973","12","","1726","1730","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343828","16.409","","10.64","","15.105","","90","","90","","90","","2637.21","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Rb4 P6 Se12","","- P6 Rb4 Se12 -","- P6 Rb4 Se12 -","- P24 Rb16 Se48 -","4","1","","Chung, I.; Karst, A.L.; Weliky, D.P.; Kanatzidis, M.G.","[P6 Se12]4-: A phosphorus-rich selenophosphate with low-valent P centers","Inorganic Chemistry","2006","45","","2785","2787","","","","","","","","","","","","","","","","","","","","","","has coordinates","150598","2020-10-21","18:00:00",""
"4344337","14.92","","10.67","","13.22","","90","","90","","90","","2104.58","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Se8 (Al Cl4)2","","- Al2 Cl8 Se8 -","- Al2 Cl8 Se8 -","- Al8 Cl32 Se32 -","4","1","","McMillan, R.K.; Prince, D.J.; Corbett, J.D.","The Crystal Structure of Octaselenium(2+) Tetrachloroaluminate, Se8 (Al Cl4)2","Inorganic Chemistry","1971","10","","1749","1753","","","","","","","","","","","","","","","","","","","","","","has coordinates","166878","2020-10-21","18:00:00",""
"4344649","11.942","0.002","11.0651","0.0019","23.555","0.004","90","","90","","90","","3112.5","0.9","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H32 Co N12 O2 -","- C26 H32 Co N12 O2 -","- C104 H128 Co4 N48 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0619","","","","0.1618","","","","","","1.033","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344650","11.892","0.005","11.012","0.004","23.526","0.009","90","","90","","90","","3081","2","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H32 N12 Ni O2 -","- C26 H32 N12 Ni O2 -","- C104 H128 N48 Ni4 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0381","","","","0.1026","","","","","","1.031","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344651","11.9299","","10.133","","23.6346","","90","","90","","90","","2857.08","","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 N10 Ni O2 -","- C22 H26 N10 Ni O2 -","- C88 H104 N40 Ni4 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.1531","0.078","","","0.1694","0.2036","","","","","","0.988","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344655","11.899","0.002","11.027","0.002","23.538","0.005","90","","90","","90","","3088.4","1","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H32 N12 O2 Zn -","- C25.9998 H32 N12 O2 Zn -","- C103.999 H128 N48 O8 Zn4 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","0.0785","0.0638","","","0.1739","0.1867","","","","","","1.036","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344656","12.0042","","10.037","","23.7718","","90","","90","","90","","2864.17","","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 N10 O2 Zn -","- C22 H26 N10 O2 Zn -","- C88 H104 N40 O8 Zn4 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.1015","0.0643","","","0.165","0.1894","","","","","","1.058","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344657","12.0506","0.0017","10.0032","0.0015","23.774","0.003","90","","90","","90","","2865.8","0.7","223","","223","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 Co N10 O2 -","- C22 H26 Co N10 O2 -","- C88 H104 Co4 N40 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.0774","0.0508","","","0.1434","0.1601","","","","","","1.088","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344762","18.7","0.004","11.581","0.003","17.899","0.004","90","","90","","90","","3876.3","1.6","113","2","113","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H56 N3 O P Si2 -","- C38 H56 N3 O P Si2 -","- C152 H224 N12 O4 P4 Si8 -","4","1","","Cui, Haiyan; Zhang, Jianying; Tao, Yunwen; Cui, Chunming","Controlled Oxidation of an NHC-Stabilized Phosphinoaminosilylene with Dioxygen.","Inorganic chemistry","2015","55","1","46","","10.1021/acs.inorgchem.5b02580","","","0.71073","MoKα","","0.0369","0.0341","","","0.0797","0.0808","","","","","","1.064","","","","has coordinates","175622","2020-10-21","18:00:00",""
"4344902","22.037","0.017","12.339","0.009","23.767","0.018","90","","90","","90","","6463","8","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H53 Cl2 O3 Ti -","- C32 H53 Cl2 O3 Ti -","- C256 H424 Cl16 O24 Ti8 -","8","2","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71073","MoKα","","0.1082","0.0778","","","0.1865","0.2134","","","","","","1.047","","","","has coordinates,has disorder","184832","2020-10-21","18:00:00",""
"4344955","30.7151","0.0015","8.7898","0.0004","23.0047","0.0015","90","","90","","90","","6210.8","0.6","125","","125","","","","","","","","","5","P c a 21","P 2c -2ac","29","Ethylammonium Tin Iodide","","","- C2 H8 I3 N Sn -","- C2 H8 I3 N Sn -","- C48 H192 I72 N24 Sn24 -","24","6","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","x-ray","0.71073","MoKα","","0.0958","0.0704","","","0.1006","0.1055","","","","1.46","1.46","1.32","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4345129","19.1952","0.0004","14.5226","0.0004","41.735","0.0009","90","","90","","90","","11634.2","0.5","170","2","170","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H98 Ba Ga Hf2 O14 -","- C42 H98 Ba Ga Hf2 O14 -","- C336 H784 Ba8 Ga8 Hf16 O112 -","8","2","","Heidemann, Tim; Mathur, Sanjay","Three at a Time: Step by Step to Heterotermetallic Molecules.","Inorganic chemistry","2017","56","1","234","240","10.1021/acs.inorgchem.6b02069","","","0.71073","MoKα","","0.0901","0.0593","","","0.1497","0.1774","","","","","","1.077","","","","has coordinates","191267","2020-10-21","18:00:00",""
"4345164","14.083","0.0004","5.3517","0.0011","18.7291","0.0014","90","","90","","90","","1411.6","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- La Na3 O8 P2 -","- La Na3 O8 P2 -","- La8 Na24 O64 P16 -","8","2","","Zhao, Dan; Ma, Fa-Xue; Ma, Shu-Qi; Zhang, Ai-Yun; Nie, Cong-Kui; Huang, Min; Zhang, Lei; Fan, Yun-Chang","Four-Dimensional Incommensurate Modulation and Luminescent Properties of Host Material Na3La(PO4)2.","Inorganic chemistry","2017","56","4","1835","1845","10.1021/acs.inorgchem.6b02241","","x-ray","0.71073","MoKα","","0.1076","0.0391","","","0.0403","0.0462","","","","1.36","1.36","1.03","","","","has coordinates","193414","2020-10-21","18:00:00",""
"4345209","32.283","0.003","11.4771","0.0009","27.246","0.002","90","","90","","90","","10095.1","1.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C107 H164 K N7 O9 U -","- C107 H164 K N7 O9 U -","- C428 H656 K4 N28 O36 U4 -","4","1","","Rosenzweig, Michael W.; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","Molecular and Electronic Structures of Eight-Coordinate Uranium Bipyridine Complexes: A Rare Example of a Bipy(2-) Ligand Coordinated to a U(4+) Ion.","Inorganic chemistry","2017","56","5","2792","2800","10.1021/acs.inorgchem.6b02954","","","0.71073","MoKα","","0.0652","0.0558","","","0.1208","0.1233","","","","","","1.164","","","","has coordinates,has disorder","194780","2020-10-21","18:00:00",""
"4345253","17.378","","13.673","","24.615","","90","","90","","90","","5848.75","","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(Ph4P)2[Cp(SPh)4]","","","- C72 H60 Co P2 S4 -","- C72 H60 Co P2 S4 -","- C288 H240 Co4 P8 S16 -","4","1","","Suturina, Elizaveta A.; Nehrkorn, Joscha; Zadrozny, Joseph M.; Liu, Junjie; Atanasov, Mihail; Weyhermüller, Thomas; Maganas, Dimitrios; Hill, Stephen; Schnegg, Alexander; Bill, Eckhard; Long, Jeffrey R.; Neese, Frank","Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4](2-) Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations.","Inorganic chemistry","2017","56","5","3102","3118","10.1021/acs.inorgchem.7b00097","","","0.71073","MoKα","","0.0583","0.0546","","","0.1435","0.1472","","","","","","1.033","","","","has coordinates","194791","2020-10-21","18:00:00",""
"4345280","19.0056","0.0007","13.9177","0.0006","12.0441","0.0005","90","","90","","90","","3185.8","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H36 B12 Br6 N2 -","- C12 H36 B12 Br6 N2 -","- C48 H144 B48 Br24 N8 -","4","1","","Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph","Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2017","56","6","3459","3466","10.1021/acs.inorgchem.6b03006","","x-ray","0.71073","MoKα","","0.0513","0.0359","","","0.0698","0.074","","","","","","1.051","","","","has coordinates","194822","2020-10-21","18:00:00",""
"4345449","11.0487","0.0006","7.8742","0.0004","8.9089","0.0004","90","","90","","90","","775.07","0.07","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B10 H8 Na2 O20 -","- B10 H8 Na2 O20 -","- B20 H16 Na4 O40 -","2","0.5","","Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi","Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet.","Inorganic chemistry","2017","56","3","1340","1348","10.1021/acs.inorgchem.6b02457","","","0.71073","MoKα","","0.0426","0.0366","","","0.0786","0.0809","","","","","","1.056","","","","has coordinates","192977","2020-10-21","18:00:00",""
"4345648","24.819","0.0012","10.0187","0.0005","24.1023","0.001","90","","90","","90","","5993.1","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C69 H64 Eu N O8 -","- C69 H64 Eu N O8 -","- C276 H256 Eu4 N4 O32 -","4","1","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.0364","0.0263","","","0.0511","0.0538","","","","","","1.056","","","","has coordinates","196132","2020-10-21","18:00:00",""
"4345856","18.993","0.002","12.5282","0.0014","18.014","0.002","90","","90","","90","","4286.4","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C46 H54 Li2 N4 O2 -","- C46 H54 Li2 N4 O2 -","- C184 H216 Li8 N16 O8 -","4","1","","Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong","Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00179","","","0.71073","MoKα","","0.1775","0.0674","","","0.1339","0.176","","","","","","1.006","","","","has coordinates","196527","2020-10-21","18:00:00",""
"4346097","42.613","0.014","7.231","0.002","16.799","0.005","90","","90","","90","","5176","3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H14 Br6 N Nb -","- C10 H14 Br6 N Nb -","- C120 H168 Br72 N12 Nb12 -","12","3","","Bortoluzzi, Marco; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis of α-amino acidato derivatives of niobium and tantalum pentahalides and their conversion into iminium salts.","Inorganic chemistry","2015","54","8","4047","4055","10.1021/acs.inorgchem.5b00286","","","0.71073","MoKα","","0.1014","0.0669","","","0.1516","0.1672","","","","","","1.025","","","","has coordinates","231615","2020-10-21","18:00:00",""
"4346098","42.859","0.006","7.2764","0.0011","17.012","0.002","90","","90","","90","","5305.3","1.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H14 Br6 N Ta -","- C10 H14 Br6 N Ta -","- C120 H168 Br72 N12 Ta12 -","12","3","","Bortoluzzi, Marco; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis of α-amino acidato derivatives of niobium and tantalum pentahalides and their conversion into iminium salts.","Inorganic chemistry","2015","54","8","4047","4055","10.1021/acs.inorgchem.5b00286","","","0.71073","MoKα","","0.059","0.0469","","","0.1054","0.1101","","","","","","1.072","","","","has coordinates","231615","2020-10-21","18:00:00",""
"4346290","31.348","0.003","10.5109","0.0011","42.587","0.005","90","","90","","90","","14032","3","296","2","296","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C70 H67 Au Bi Ir3 N2 O7 Sn2 -","- C70 H67 Au Bi Ir3 N2 O7 Sn2 -","- C560 H536 Au8 Bi8 Ir24 N16 O56 Sn16 -","8","2","","Adams, Richard D.; Elpitiya, Gaya","The Addition of Gold and Tin to Bismuth-Triiridium Carbonyl Complexes.","Inorganic chemistry","2015","54","16","8042","8048","10.1021/acs.inorgchem.5b01261","","","0.71073","MoKα","","0.1317","0.0538","","","0.0807","0.1091","","","","","","0.992","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346506","19.4798","0.0006","31.7695","0.0003","29.0262","0.0004","90","","90","","90","","17963.3","0.6","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C46 H130 I N9 Na6 O2 Si10 -","- C46 H130 I N9 Na6 O2 Si10 -","- C368 H1040 I8 N72 Na48 O16 Si80 -","8","2","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","0.71073","MoKα","","0.0919","0.0533","","","0.1085","0.1198","","","","","","0.989","","","","has coordinates,has disorder","231815","2020-10-21","18:00:00",""
"4346649","18.7849","0.0008","8.3978","0.0004","14.8663","0.0005","90","","90","","90","","2345.19","0.17","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C19 H33 F3 N4 Ni O3 S -","- C19 H33 F3 N4 Ni O3 S -","- C76 H132 F12 N16 Ni4 O12 S4 -","4","1","","Tyler, Sarah F.; Natoli, Sean N.; Vlaisavljevich, Bess; Fanwick, Phillip E.; Ren, Tong","Turning a New Leaf on Metal-TMC Chemistry: Ni(II)(TMC) Acetylides.","Inorganic chemistry","2015","54","20","10058","10064","10.1021/acs.inorgchem.5b01883","","","1.54178","CuKα","","0.0528","0.0397","","","0.1064","0.1214","","","","","","1.142","","","","has coordinates","231902","2020-10-21","18:00:00",""
"4347365","34.693","0.003","15.4852","0.0013","12.4208","0.001","90","","90","","90","","6672.8","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cerium(III) PDA","","","- C84 H39 Ce3 N12 O24 -","- C84 H39 Ce3 N12 O24 -","- C336 H156 Ce12 N48 O96 -","4","1","","Cary, Samantha K.; Ferrier, Maryline G.; Baumbach, Ryan E.; Silver, Mark A.; Lezama Pacheco, Juan; Kozimor, Stosh A.; La Pierre, Henry S.; Stein, Benjamin W.; Arico, Alexandra A.; Gray, Danielle L.; Albrecht-Schmitt, Thomas E","Monomers, Dimers, and Helices: Complexities of Cerium and Plutonium Phenanthrolinecarboxylates.","Inorganic chemistry","2016","55","9","4373","4380","10.1021/acs.inorgchem.6b00077","","","0.71073","MoKα","","0.0704","0.0478","","","0.1109","0.1243","","","","","","1.058","","","","has coordinates","232287","2020-10-21","18:00:00",""
"4347852","20.6742","0.0005","17.3852","0.0004","7.07539","0.00016","90","","90","","90","","2543.07","0.1","123","0.14","123","0.14","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H26 F N O2 Pt S2 -","- C29 H26 F N O2 Pt S2 -","- C116 H104 F4 N4 O8 Pt4 S8 -","4","1","","Shafikov, Marsel Z.; Kozhevnikov, Dmitry N.; Bodensteiner, Michael; Brandl, Fabian; Czerwieniec, Rafał","Modulation of Intersystem Crossing Rate by Minor Ligand Modifications in Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2016","55","15","7457","7466","10.1021/acs.inorgchem.6b00704","","x-ray","1.54184","CuKα","","0.0671","0.0576","","","0.1571","0.1694","","","","","","1.092","","","","has coordinates,has disorder","232540","2020-10-21","18:00:00",""
"4348080","18.2526","0.0007","6.5815","0.0002","7.6362","0.0003","90","","90","","90","","917.33","0.06","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tb -","- C4 H9 N2 O8 Tb -","- C16 H36 N8 O32 Tb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0217","0.0195","","","0.0419","0.0427","","","","","","1.086","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348081","18.3618","0.0005","6.6117","0.0002","7.6222","0.0002","90","","90","","90","","925.36","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tb -","- C4 H9 N2 O8 Tb -","- C16 H36 N8 O32 Tb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0175","0.0164","","","0.0343","0.0348","","","","","","1.078","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348082","18.2377","0.0005","6.5776","0.0002","7.6098","0.0002","90","","90","","90","","912.87","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Dy N2 O8 -","- C4 H9 Dy N2 O8 -","- C16 H36 Dy4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0155","0.0148","","","0.0358","0.0363","","","","","","1.062","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348083","18.3308","0.0005","6.5959","0.0002","7.5993","0.0002","90","","90","","90","","918.82","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Dy N2 O8 -","- C4 H9 Dy N2 O8 -","- C16 H36 Dy4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0186","0.0171","","","0.0376","0.0386","","","","","","1.072","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348084","18.2209","0.0005","6.5751","0.0002","7.585","0.0002","90","","90","","90","","908.72","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Ho N2 O8 -","- C4 H9 Ho N2 O8 -","- C16 H36 Ho4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0196","0.0185","","","0.0411","0.0417","","","","","","1.083","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348085","18.3001","0.0006","6.5853","0.0002","7.5817","0.0002","90","","90","","90","","913.68","0.05","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Ho N2 O8 -","- C4 H9 Ho N2 O8 -","- C16 H36 Ho4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0221","0.021","","","0.0504","0.0511","","","","","","1.099","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348086","18.1802","0.0005","6.563","0.0002","7.5566","0.0002","90","","90","","90","","901.63","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Er N2 O8 -","- C4 H9 Er N2 O8 -","- C16 H36 Er4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0206","0.0193","","","0.0423","0.043","","","","","","1.057","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348087","18.264","0.0005","6.5656","0.0002","7.5616","0.0002","90","","90","","90","","906.74","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Er N2 O8 -","- C4 H9 Er N2 O8 -","- C16 H36 Er4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0209","0.0202","","","0.0484","0.049","","","","","","1.071","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348088","17.9828","0.0005","6.4893","0.0002","7.6123","0.0002","90","","90","","90","","888.32","0.04","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0193","0.019","","","0.044","0.0442","","","","","","1.074","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348089","18.1409","0.0005","6.5415","0.0002","7.5452","0.0002","90","","90","","90","","895.38","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.02","0.0187","","","0.0412","0.0421","","","","","","1.069","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348090","18.2293","0.0006","6.5489","0.0002","7.5428","0.0003","90","","90","","90","","900.47","0.05","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0285","0.0269","","","0.062","0.0642","","","","","","1.072","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348091","18.2946","0.0005","6.5596","0.0002","7.5503","0.0002","90","","90","","90","","906.08","0.04","375","","375","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0221","0.0211","","","0.0482","0.0492","","","","","","1.07","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348092","18.1272","0.0004","6.5391","0.0002","7.5198","0.0002","90","","90","","90","","891.36","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Yb -","- C4 H9 N2 O8 Yb -","- C16 H36 N8 O32 Yb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0216","0.0202","","","0.0458","0.0468","","","","","","1.049","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348093","18.2137","0.0004","6.5437","0.0002","7.5326","0.0002","90","","90","","90","","897.77","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Yb -","- C4 H9 N2 O8 Yb -","- C16 H36 N8 O32 Yb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0188","0.0171","","","0.0375","0.0383","","","","","","1.132","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348094","18.1048","0.0005","6.5261","0.0002","7.5044","0.0002","90","","90","","90","","886.67","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Lu N2 O8 -","- C4 H9 Lu N2 O8 -","- C16 H36 Lu4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0216","0.0199","","","0.0441","0.045","","","","","","1.055","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348095","18.1702","0.0005","6.5224","0.0002","7.5141","0.0002","90","","90","","90","","890.52","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Lu N2 O8 -","- C4 H9 Lu N2 O8 -","- C16 H36 Lu4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0236","0.0215","","","0.0475","0.049","","","","","","1.072","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348096","18.2232","0.0005","6.579","0.0002","7.5847","0.0002","90","","90","","90","","909.33","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Y -","- C4 H9 N2 O8 Y -","- C16 H36 N8 O32 Y4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0213","0.0189","","","0.041","0.0419","","","","","","1.065","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348097","18.2978","0.0006","6.5808","0.0002","7.584","0.0003","90","","90","","90","","913.22","0.05","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Y -","- C4 H9 N2 O8 Y -","- C16 H36 N8 O32 Y4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.022","0.0194","","","0.0426","0.0436","","","","","","1.063","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348185","26.4617","0.0009","14.9124","0.0006","24.3861","0.001","90","","90","","90","","9622.9","0.6","173","2","173.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H141 Br Ca O34 Ti11 -","- C60 H141 Br Ca O34 Ti11 -","- C240 H564 Br4 Ca4 O136 Ti44 -","4","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1592","0.0681","","","0.136","0.1746","","","","","","1.058","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348839","16.3541","0.001","14.582","0.0009","33.521","0.002","90","","90","","90","","7993.9","0.8","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H37 Au N2 O8 Re2 -","- C35 H37 Au N2 O8 Re2 -","- C280 H296 Au8 N16 O64 Re16 -","8","2","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.0491","0.034","","","0.0729","0.0804","","","","","","1.015","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348880","12.454","0.003","6.104","0.0012","25.231","0.005","90","","90","","90","","1918","0.7","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 Cl F4 N2 Se2 -","- C7 Cl F4 N2 Se2 -","- C56 Cl8 F32 N16 Se16 -","8","2","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71073","MoKα","","0.1994","0.1228","","0.3416","","0.2819","","","1.045","","","1.17","","","","has coordinates","233462","2020-10-21","18:00:00",""
"4349136","18.6832","0.0003","5.3622","0.0001","26.7016","0.0005","90","","90","","90","","2675.05","0.08","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H26 K N5 O -","- C32 H26 K N5 O -","- C128 H104 K4 N20 O4 -","4","1","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.0469","0.0445","","","0.1281","0.1337","","","","","","1.036","","","","has coordinates","233617","2020-10-21","18:00:00",""
"4349281","17.453","0.006","10.636","0.003","17.515","0.006","90","","90","","90","","3251.3","1.8","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H35 I3 N P4 Y -","- C22 H35 I3 N P4 Y -","- C88 H140 I12 N4 P16 Y4 -","4","1","","Carravetta, Marina; Concistre, Maria; Levason, William; Reid, Gillian; Zhang, Wenjian","Rare Neutral Diphosphine Complexes of Scandium(III) and Yttrium(III) Halides.","Inorganic chemistry","2016","55","24","12890","12896","10.1021/acs.inorgchem.6b02268","","","0.71075","MoKα","","0.062","0.0367","","","0.0849","0.1121","","","","","","0.7","","","","has coordinates","233810","2020-10-21","18:00:00",""
"4349316","27.2428","0.0013","8.729","0.0004","13.3472","0.0006","90","","90","","90","","3174","0.3","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H37 Co N2 O3 P2 -","- C35 H37 Co N2 O3 P2 -","- C140 H148 Co4 N8 O12 P8 -","4","1","","Bezpalko, Mark W.; Poitras, Andrew M.; Foxman, Bruce M.; Thomas, Christine M.","Cobalt N-Heterocyclic Phosphenium Complexes Stabilized by a Chelating Framework: Synthesis and Redox Properties.","Inorganic chemistry","2017","56","1","503","510","10.1021/acs.inorgchem.6b02374","","","0.71073","MoKα","","0.0323","0.0282","","0.0667","0.0649","0.0667","","","","","","0.9948","","","","has coordinates","233848","2020-10-21","18:00:00",""
"4349552","19.314","0.004","12.669","0.003","17.15","0.004","90","","90","","90","","4196.4","1.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H35 Cl2 N7 O2 Zn2 -","- C46 H35 Cl2 N7 O2 Zn2 -","- C184 H140 Cl8 N28 O8 Zn8 -","4","1","","Dhara, Ashish Kumar; Singh, Udai P.; Ghosh, Kaushik","Radical pathways and O2 participation in benzyl alcohol oxidation, and catechol and o-aminophenol oxidase activity studies with novel zinc complexes: an experimental and theoretical investigation","Inorganic Chemistry Frontiers","2016","3","12","1543","","10.1039/C6QI00356G","","","0.71073","MoKα","","0.1223","0.0553","","","0.1296","0.1699","","","","","","0.94","","","","has coordinates","234875","2020-10-21","18:00:00",""
"4349771","15.9964","0.0017","7.9167","0.0009","34.774","0.004","90","","90","","90","","4403.7","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H20 Au N3 -","- C27 H20 Au N3 -","- C216 H160 Au8 N24 -","8","2","","Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.","Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes","Inorganic Chemistry Frontiers","2018","5","1","160","","10.1039/C7QI00514H","","","0.71073","MoKα","","0.0656","0.0381","","","0.0833","0.093","","","","","","1.017","","","","has coordinates","235816","2020-10-21","18:00:00",""
"4350230","12.3143","0.0011","4.8205","0.0004","28.265","0.003","90","","90","","90","","1677.8","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H14 Cu N5 S2 -","- C17 H14 Cu N5 S2 -","- C68 H56 Cu4 N20 S8 -","4","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0624","0.0509","","","0.1135","0.1198","","","","","","1.09","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350317","25.321","0.0012","10.5408","0.0005","11.8223","0.0005","90","","90","","90","","3155.4","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H36 Cr Li N16 Ni O5 -","- C18 H26 Cr Li N16 Ni O5 -","- C72 H104 Cr4 Li4 N64 Ni4 O20 -","4","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.065","0.0439","","","0.113","0.1232","","","","","","1.048","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4500118","9.1295","0.0002","18.6869","0.0005","9.7902","0.0002","90","","90","","90","","1670.23","0.07","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","picric acid","","- C6 H3 N3 O7 -","- C6 H3 N3 O7 -","- C48 H24 N24 O56 -","8","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0526","0.0401","","","0.0899","0.0963","","","","","","1.026","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500300","18.8457","0.0016","13.6944","0.0016","20.315","0.002","90","","90","","90","","5242.9","0.9","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","[Co3(G1)2(DPA)2(OH2)2]-H2O","","- C54 H40 Co3 N8 O15 -","- C54 H34 Co3 N8 O15 -","- C216 H136 Co12 N32 O60 -","4","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71075","MoKα","","0.0781","0.0736","","","0.1869","0.1928","","","","","","1.062","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500611","10.4182","0.0006","8.0374","0.0004","20.2501","0.0014","90","","90","","90","","1695.65","0.17","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C72 H88 Cl4 N4 O12 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.058","0.0396","","","0.0635","0.0669","","","","","","0.895","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4501143","13.483","0.0014","12.2021","0.0012","16.7125","0.0017","90","","90","","90","","2749.6","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-chlorophenol: 3,4,5-trichlorophenol","","","- C24 H14 Cl10 O4 -","- C24 H14 Cl10 O4 -","- C96 H56 Cl40 O16 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0395","0.0382","","","0.1121","0.113","","","","","","1.18","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501340","14.9735","0.0006","9.3372","0.0003","14.3187","0.0006","90","","90","","90","","2001.91","0.13","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H19 N4 O6.5 S Zn -","- C17 H18 N4 O6.5 S Zn -","- C68 H72 N16 O26 S4 Zn4 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0356","0.0301","","","0.0751","0.0796","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501378","24.0866","0.0019","4.8855","0.0004","22.2025","0.0017","90","","90","","90","","2612.7","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H34 N6 O11 Zn -","- C20 H34 N6 O11 Zn -","- C80 H136 N24 O44 Zn4 -","4","1","","Cui, Peipei; Wu, Junling; Zhao, Xiaoliang; Sun, Di; Zhang, Liangliang; Guo, Jie; Sun, Daofeng","Two Solvent-Dependent Zinc(II) Supramolecular Isomers: Rarekgdand Lonsdaleite Network Topologies Based on a Tripodal Flexible Ligand","Crystal Growth & Design","2011","11","12","5182","","10.1021/cg201181s","","","0.71073","MoKα","","0.045","0.0354","","","0.0882","0.0941","","","","","","1.029","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501528","16.583","0.004","13.153","0.003","34.538","0.008","90","","90","","90","","7533","3","298","2","298","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26 H23 Cu3 F6 N9 O7.5 S2 -","- C26 H23 Cu3 F6 N9 O7.5 S2 -","- C208 H184 Cu24 F48 N72 O60 S16 -","8","2","","Rivera-Carrillo, Marlyn; Chakraborty, Indranil; Raptis, Raphael G.","Systematic Synthesis of a Metal Organic Framework Based on Triangular Cu3(μ3-OH) Secondary Building Units: From a 0-D Complex to a 1-D Chain and a 3-D Lattice","Crystal Growth & Design","2010","10","6","2606","","10.1021/cg100060p","","","0.71073","MoKα","","0.1661","0.0904","","","0.2232","0.2719","","","","","","0.98","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4502088","27.132","0.002","10.2359","0.0008","7.9185","0.0006","90","","90","","90","","2199.1","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","azonia-18-crown-6 salicylate dihydrate","1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane 2-hydroxybenzoate dihydrate","","- C19 H35 N O10 -","- C19 H35 N O10 -","- C76 H140 N4 O40 -","4","1","","Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch.","Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers†","Crystal Growth & Design","2010","10","12","5210","","10.1021/cg101002x","","","0.71073","MoKα","","0.0464","0.0377","","","0.0623","0.0644","","","","","","0.953","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502111","18.481","0.002","12.4956","0.0014","8.496","0.001","90","","90","","90","","1962","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H21 N O3 S2 -","- C20 H21 N O3 S2 -","- C80 H84 N4 O12 S8 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.041","0.0338","","","0.079","0.0827","","","","","","1.036","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502117","7.5883","0.0015","7.7441","0.0015","28.008","0.006","90","","90","","90","","1645.9","0.6","173","2","173","2","","","101.3","","","","","5","P c a 21","P 2c -2ac","29","5,6-dichlorobenzo-2,1,3-telluradiazole","5,6-dichlorobenzo-2,1,3-telluradiazole","","- C6 H2 Cl2 N2 Te -","- C6 H2 Cl2 N2 Te -","- C48 H16 Cl16 N16 Te8 -","8","2","","Cozzolino, Anthony F.; Yang, Qin; Vargas-Baca, Ignacio","Engineering Second-Order Nonlinear Optical Activity by Means of a Noncentrosymmetric Distortion of the [Te−N]2Supramolecular Synthon","Crystal Growth & Design","2010","10","11","4959","","10.1021/cg101060s","","x-ray","0.71073","MoKα","","0.099","0.0614","","","0.1549","0.1698","","","","","","1.067","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502447","17.232","0.0014","5.483","0.0004","26.478","0.002","90","","90","","90","","2501.7","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(3-methylsulfanyl-phenyl)-3-pyridin-2-yl-urea (form III)","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C104 H104 N24 O8 S8 -","8","2","","Fucke, Katharina; Qureshi, Naseem; Yufit, Dmitry S.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen Bonding Is Not Everything: Extensive Polymorphism in a System with Conserved Hydrogen Bonded Synthons","Crystal Growth & Design","2010","10","2","880","","10.1021/cg901224f","","","0.71073","Mo-Kα","","0.0977","0.0557","","","0.0997","0.1068","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502461","13.013","0.009","17.7","0.003","17.636","0.002","90","","90","","90","","4062","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H60 Cd3 N8 O21 -","- C24 H58 Cd3 N8 O21 -","- C96 H232 Cd12 N32 O84 -","4","1","","Hazra, Shantanu; Sarkar, Biswarup; Naiya, Subrata; Drew, Michael G. B.; Frontera, Antonio; Escudero, Daniel; Ghosh, Ashutosh","Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions","Crystal Growth & Design","2010","10","4","1677","","10.1021/cg901245z","","","0.71073","MoKα","","0.0546","0.0352","","","0.0657","0.0686","","","","","","0.937","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502714","15.541","0.003","10.139","0.002","19.705","0.004","90","","90","","90","","3104.9","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H24 Cd2 N4 O8 -","- C34 H24 Cd2 N4 O8 -","- C136 H96 Cd8 N16 O32 -","4","1","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Sun, Ting; Wang, Enbo","A Unique Optical and Electrical Multifunctional Metal−Organic Framework Based on Polynuclear Rod-Shaped Secondary Building Units Constructed from a “Three Birds with One Stone” in Situ Reaction Process","Crystal Growth & Design","2010","10","5","2272","","10.1021/cg901605j","","","0.71073","MoKα","","0.0481","0.0461","","","0.1441","0.146","","","","","","1.049","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4503048","9.62291","0.00011","17.813","0.0004","9.24178","0.00011","90","","90","","90","","1584.16","0.04","293","","293","","","","","","","","synthesis","4","P c a 21","P 2c -2ac","29","","","","- C18 H8 N6 O4 -","- C18 H8 N6 O4 -","- C72 H32 N24 O16 -","4","1","","Neels, Antonia; Mantero, Déborah González; Stoeckli-Evans, Helen","Solid-State Synthesis of New Diimide Compounds: A Two-Step Reaction Followed by X-ray Powder Diffraction","Crystal Growth & Design","2008","8","4","1147","","10.1021/cg070058q","powder diffraction","x-ray","1.54051","CuKalpha1","","","","","","","","0.1092","","2.16","","","","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503150","18.0409","0.0004","11.9567","0.0003","15.2864","0.0004","90","","90","","90","","3297.42","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C41 H35 I O5 -","- C41 H35 I O5 -","- C164 H140 I4 O20 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces","Crystal Growth & Design","2008","8","3","890","","10.1021/cg070632y","","","0.71073","MoKα","","0.0652","0.0325","","","0.0544","0.0611","","","","","","1.001","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503369","22.235","0.009","9.365","0.004","9.955","0.004","90","","90","","90","","2072.9","1.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H20 Br N O -","- C26 H20 Br N O -","- C104 H80 Br4 N4 O4 -","4","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.1223","0.0679","","","0.1666","0.1896","","","","","","0.886","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503370","22.323","0.003","9.4696","0.0012","9.957","0.0013","90","","90","","90","","2104.8","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H20 I N O -","- C26 H20 I N O -","- C104 H80 I4 N4 O4 -","4","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.1017","0.0622","","","0.1481","0.1693","","","","","","0.922","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503558","11.652","0.002","5.4473","0.0011","56.607","0.011","90","","90","","90","","3593","1.2","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C152 H192 N16 O24 -","8","2","","Berry, David J.; Seaton, Colin C.; Clegg, William; Harrington, Ross W.; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.; Storey, Richard; Jones, William; Friščić, Tomislav; Blagden, Nicholas","Applying Hot-Stage Microscopy to Co-Crystal Screening: A Study of Nicotinamide with Seven Active Pharmaceutical Ingredients","Crystal Growth & Design","2008","8","5","1697","","10.1021/cg800035w","","","0.71073","MoKα","","0.1097","0.0582","","","0.1323","0.1547","","","","","","1.093","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503730","14.329","0.0002","8.936","0.0003","26.521","0.0007","90","","90","","90","","3395.85","0.15","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[Methyl(phenyl)amino]nicotinic Acid","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C156 H144 N24 O24 -","12","3","","Long, Sihui; Parkin, Sean; Siegler, Maxime; Brock, Carolyn P.; Cammers, Arthur; Li, Tonglei","Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains","Crystal Growth & Design","2008","8","9","3137","","10.1021/cg800339h","","","0.71073","MoKα","","0.109","0.0462","","","0.0977","0.1244","","","","","","0.893","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503805","21.578","0.002","3.766","0.0016","24.683","0.002","90","","90","","90","","2005.8","0.9","130","2","130","2","","","","","","","","3","P c a 21","P 2c -2ac","29","dihyanthraquin_meta_LT","dihyanthraquin_meta_LT","","- C14 H8 O4 -","- C14 H8 O4 -","- C112 H64 O32 -","8","2","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.7107","MoKα","","0.1535","0.0497","","","0.0919","0.1152","","","","","","0.863","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503834","12.3666","0.0014","13.714","0.0016","14.006","0.0015","90","","90","","90","","2375.4","0.5","100","2","373","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1:2 complex of pluoroglucinol and acridine","1:2 complex of pluoroglucinol and acridine","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C128 H96 N8 O12 -","4","1","","Sarma, Bipul; Reddy, L. Sreenivas; Nangia, Ashwini","The Role of π-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals","Crystal Growth & Design","2008","8","12","4546","","10.1021/cg800585d","","","0.71073","MoKα","","0.0729","0.0486","","","0.1044","0.1168","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504193","16.7786","0.0014","18.1213","0.0015","4.7826","0.0004","90","","90","","90","","1454.1","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2,3-Phenazinediamine tetrahydrated","2,3-Phenazinediamine tetrahydrated","","- C12 H18 N4 O4 -","- C12 H18 N4 O4 -","- C48 H72 N16 O16 -","4","1","","Upreti, Shailesh; Datta, Ayan; Ramanan, Arunachalam","Role of Nonbonding Interactions in the Crystal Growth of Phenazinediamine Tetrahydrate: New Insights into the Occurrence of 2D Water Layers in Crystal Hydrates","Crystal Growth & Design","2007","7","5","966","","10.1021/cg060958r","","","0.71073","MoKα","","0.0855","0.081","","","0.1931","0.2018","","","","","","1.343","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504725","10.9424","0.0005","15.6353","0.0008","9.7921","0.0005","90","","90","","90","","1675.31","0.14","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H20 N6 O3 S -","- C15 H20 N6 O3 S -","- C60 H80 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.6778","Synchrotron","","0.0471","0.0391","","","0.098","0.1018","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504728","20.9619","0.0002","32.1632","0.0002","35.4247","0.0003","90","","90","","90","","23883.4","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","octaaquo-4,4'-bipyridinelanthanum(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate","","- C147 H299 B108 Co8 La2 N24 O32.5 -","- C147 H229 B108 Co6 La2 N24 O32.5 -","- C588 H916 B432 Co24 La8 N96 O130 -","4","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1098","0.0709","","","0.1853","0.2294","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504729","21.0823","0.0001","32.108","0.0003","35.4399","0.0003","90","","90","","90","","23989.6","0.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","octaaquo-4,4'-bipyridinecerium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate","","- C148 H289 B108 Ce2 Co6 N23 O28 -","- C148 H227.5 B108 Ce2 Co6 N23 O27.5 -","- C592 H910 B432 Ce8 Co24 N92 O110 -","4","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.7107","MoKα","","0.1081","0.0735","","","0.1967","0.2249","","","","","","1.025","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504820","10.755","0.007","5.419","0.004","9.046","0.006","90","","90","","90","","527.2","0.6","220","2","220","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H6 F N -","- C6 H6 F N -","- C24 H24 F4 N4 -","4","1","","Chopra, Deepak; Thiruvenkatam, Vijay; Row, Tayur. N. Guru","In Situ Cryo-Crystallization of Fluorinated Amines: A Comparative Study of Cooperative Intermolecular Interactions Involving Ordered and Disordered Fluorine","Crystal Growth & Design","2006","6","4","843","","10.1021/cg060053d","","","0.71073","MoKα","","0.0398","0.0373","","","0.0927","0.0942","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504867","22.6571","0.0003","4.0725","0.0001","12.5717","0.0002","90","","90","","90","","1160","0.04","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H9 Br2 N -","- C13 H9 Br2 N -","- C52 H36 Br8 N4 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","1.54178","CuKα","","0.0284","0.0279","","","0.0719","0.0724","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504907","18.932","0.002","5.6894","0.0007","10.4151","0.0013","90","","90","","90","","1121.8","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-aminopyridinium 4-aminobenzoate 1:1","2-aminopyridinium 4-aminobenzoate 1:1","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0287","0.0284","","","0.0718","0.0721","","","","","","1.087","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504916","12.564","0.0016","11.3377","0.0014","30.501","0.004","90","","90","","90","","4344.8","1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2-amino-5-picolinium Indomethacine 1:1","2-amino-5-picolinium Indomethacine 1:1","","- C25 H24 Cl N3 O4 -","- C25 H24 Cl N3 O4 -","- C200 H192 Cl8 N24 O32 -","8","2","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0929","0.0718","","","0.1693","0.1837","","","","","","1.038","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4505156","14.9757","0.001","7.2578","0.0005","20.0261","0.0013","90","","90","","90","","2176.6","0.3","173","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H18 N8 O10 S2 -","- C14 H18 N8 O10 S2 -","- C56 H72 N32 O40 S8 -","4","1","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.0472","0.0358","","","0.0761","0.0791","","","","","","0.951","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505259","20.101","0.004","9.511","0.0019","6.67","0.0013","90","","90","","90","","1275.2","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H8 N4 O -","- C11 H8 N4 O -","- C44 H32 N16 O4 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1816","0.0701","","","0.1874","0.2429","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505264","31.973","0.012","12.074","0.004","8.297","0.003","90","","90","","90","","3203","2","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H19 N5 -","- C17 H19 N5 -","- C136 H152 N40 -","8","2","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1025","0.0579","","","0.112","0.1256","","","","","","0.88","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505291","12.332","0.001","9.731","0.001","22.926","0.001","90","","90","","90","","2751.2","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(rac)-N-(4-Methylbenzoyl)-a-methylbenzylamine","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0488","0.0336","","","0.0752","0.0866","","","","","","1.11","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505452","9.046","0.002","4.8948","0.0012","69.909","0.017","90","","90","","90","","3095.5","1.3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H59 N O3 -","- C30 H59 N O3 -","- C120 H236 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1271","0.0597","","","0.1166","0.1445","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505454","9.087","0.005","4.925","0.003","74.87","0.04","90","","90","","90","","3351","3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1852","0.1085","","","0.2216","0.263","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505458","8.7611","0.001","4.8641","0.0005","68.422","0.007","90","","90","","90","","2915.8","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-palmitoyl, O-lauroylethanolamine at100K","","","- C30 H59 N O3 -","- C30 H59 N O3 -","- C120 H236 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.0719","0.0661","","","0.1057","0.1071","","","","","","1.718","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505459","8.8445","0.0015","4.8785","0.0008","73","0.012","90","","90","","90","","3149.8","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-palmitoyl, O-myristoylethanolamine","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.0852","0.0713","","","0.1529","0.1585","","","","","","1.427","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505730","14.91","0.002","6.0341","0.0018","19.68","0.004","90","","90","","90","","1770.6","0.7","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C56 H40 N24 O48 -","8","2","","Vrcelj, Ranko M.; Sherwood, John N.; Kennedy, Alan R.; Gallagher, Hugh G.; Gelbrich, Thomas","Polymorphism in 2-4-6 Trinitrotoluene","Crystal Growth & Design","2003","3","6","1027","","10.1021/cg0340704","","","0.71069","MoKα","","0.0459","0.0309","","","0.0784","0.0842","","","","","","1.031","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505772","10.7794","0.0003","5.7405","0.0002","14.248","0.0004","90","","90","","90","","881.65","0.05","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,4-Butanebisphosphonic acid","","- C4 H12 O6 P2 -","- C4 H12 O6 P2 -","- C16 H48 O24 P8 -","4","1","","Mahmoudkhani, Amir H.; Langer, Vratislav","Supramolecular Isomerism and Isomorphism in the Structures of 1,4-Butanebisphosphonic Acid and Its Organic Ammonium Salts","Crystal Growth & Design","2002","2","1","21","","10.1021/cg015553f","","","0.71073","MoKα","","0.076","0.063","","","0.17","0.181","","","","","","1.051","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4506233","11.5256","0.0005","18.2862","0.0006","5.5638","0.0002","90","","90","","90","","1172.62","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Phenazopyridine Monohydrate","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.0528","0.0442","","","0.1074","0.1163","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506324","8.0615","0.0016","25.852","0.005","13.293","0.003","90","","90","","90","","2770.3","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H26 Cd N2 O13 -","- C26 H26 Cd N2 O13 -","- C104 H104 Cd4 N8 O52 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0408","0.0334","","","0.0723","0.0756","","","","","","1.009","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506331","8.08","0.011","25.88","0.03","13.345","0.018","90","","90","","90","","2791","6","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H25 N2 Nd O13 -","- C26 H25 N2 Nd O13 -","- C104 H100 N8 Nd4 O52 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0829","0.0693","","","0.1811","0.1936","","","","","","1.198","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506406","29.6875","0.0011","4.6937","0.0002","14.2292","0.0006","90","","90","","90","","1982.76","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-amino-4,6-dimethylpyrimidine-glutaric acid","","- C17 H26 N6 O4 -","- C17 H26 N6 O4 -","- C68 H104 N24 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0425","0.0376","","","0.1116","0.116","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506670","17.459","0.002","12.6894","0.0018","10.8705","0.0011","90","","90","","90","","2408.3","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H23 Cd N5 O6 -","- C23 H23 Cd N5 O6 -","- C92 H92 Cd4 N20 O24 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0857","0.0523","","","0.0632","0.0687","","","","","","1.001","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506704","21.936","0.001","16.0251","0.0007","7.6037","0.0003","90","","90","","90","","2672.9","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H15 Ag6 N3 O9 -","- C24 H15 Ag6 N3 O9 -","- C96 H60 Ag24 N12 O36 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0333","0.0283","","","0.0632","0.0658","","","","","","1.037","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506935","18.4348","0.0009","7.949","0.0004","15.9297","0.0008","90","","90","","90","","2334.3","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H30 Cu N6 O10 -","- C19 H30 Cu N6 O10 -","- C76 H120 Cu4 N24 O40 -","4","1","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0343","0.0283","","","0.0635","0.0662","","","","","","0.992","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507065","14.787","0.003","15.341","0.003","22.729","0.005","90","","90","","90","","5156","1.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Toluene1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C66 H66 O4 -","- C66 H66 O4 -","- C264 H264 O16 -","4","1","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.1138","0.0646","","","0.1265","0.144","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507108","12.8138","0.0007","7.2047","0.0004","15.2522","0.0009","90","","90","","90","","1408.08","0.14","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","EH-6-65-12 3,5-Me2-4-Cl-pyrazole, 3-MeO-4-HO-PhCOOH","","- C13 H15 Cl N2 O4 -","- C13 H15 Cl N2 O4 -","- C52 H60 Cl4 N8 O16 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0456","0.0389","","","0.0975","0.103","","","","","","1.046","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507157","9.7285","0.0003","8.443","","8.4433","0.0002","90","","90","","90","","693.51","0.03","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C3 H6 Mn N4 O4 -","- C3 H6 Mn N4 O4 -","- C12 H24 Mn4 N16 O16 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.0254","0.022","","","0.0467","0.0471","","","","","","0.965","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507284","12.076","0.003","6.3815","0.0016","32.01","0.008","90","","90","","90","","2466.8","1.1","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","- C128 H128 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0372","0.0317","","","0.0726","0.076","","","","","","1.034","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507334","12.951","0.004","5.1138","0.0015","17.068","0.005","90","","90","","90","","1130.4","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0788","0.072","","","0.1507","0.1531","","","","","","1.291","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507339","9.934","0.007","12.513","0.008","8.645","0.006","90","","90","","90","","1074.6","1.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 Co N O5 P -","- C9 H10 Co N O5 P -","- C36 H40 Co4 N4 O20 P4 -","4","1","","Zhou, Tian-Hua; He, Zhang-Zhen; Xu, Xiang; Qian, Xiang-Ying; Mao, Jiang-Gao","Ligand Geometry Directed Polar Cobalt(II) Phosphonate Displaying Weak Ferromagnetism","Crystal Growth & Design","2013","13","2","838","","10.1021/cg301542n","","","0.71073","MoKα","","0.0351","0.0334","","","0.0814","0.0828","","","","","","1.056","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507340","9.927","0.003","12.485","0.003","8.629","0.002","90","","90","","90","","1069.5","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 N O5 P Zn -","- C9 H10 N O5 P Zn -","- C36 H40 N4 O20 P4 Zn4 -","4","1","","Zhou, Tian-Hua; He, Zhang-Zhen; Xu, Xiang; Qian, Xiang-Ying; Mao, Jiang-Gao","Ligand Geometry Directed Polar Cobalt(II) Phosphonate Displaying Weak Ferromagnetism","Crystal Growth & Design","2013","13","2","838","","10.1021/cg301542n","","","0.71073","MoKα","","0.0205","0.0196","","","0.0427","0.043","","","","","","0.955","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507672","13.737","0.004","9.975","0.003","8.836","0.002","90","","90","","90","","1210.8","0.6","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,2-dimethylimidazolium chloride","","","- C10 H17 Cl N4 -","- C10 H17 Cl N4 -","- C40 H68 Cl4 N16 -","4","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0224","0.0222","","","0.0593","0.0596","","","","","","1.038","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507699","18.6294","0.001","9.9345","0.0005","14.7424","0.0008","90","","90","","90","","2728.4","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H24 Cd N Na O14 -","- C18 H15 Cd N Na O14 -","- C72 H60 Cd4 N4 Na4 O56 -","4","1","","Du, Fenglei; Zhang, Huabin; Tian, Chongbin; Du, Shaowu","Synthesis and Structure of Two Acentric Heterometallic Inorganic‒Organic Hybrid Frameworks with Both Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2013","13","4","1736","","10.1021/cg400060t","","","0.71073","MoKα","","","0.0601","","","0.1774","0.1823","","","","","","1.048","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4508064","20.4065","0.0014","6.3085","0.0004","19.1306","0.0014","90","","90","","90","","2462.8","0.3","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H22 F4 I2 N O3 -","- C22 H22 F4 I2 N O3 -","- C88 H88 F16 I8 N4 O12 -","4","1","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0347","0.0271","","","0.0512","0.0544","","","","","","0.984","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508616","16.1045","0.0014","12.8052","0.001","6.4559","0.0005","90","","90","","90","","1331.34","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 S Se2 -","- C14 H8 N2 S Se2 -","- C56 H32 N8 S4 Se8 -","4","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.0577","0.0427","","","0.1146","0.1255","","","","","","0.942","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508741","20.8995","0.0001","8.8901","0.0001","9.4567","0.0001","90","","90","","90","","1757.04","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 Ag2 Cl2 O8 S4 -","- C6 H16 Ag2 Cl2 O8 S4 -","- C24 H64 Ag8 Cl8 O32 S16 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0457","0.0451","","","0.1122","0.1124","","","","","","1.017","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508744","10.4756","0.0002","10.8952","0.0002","8.9067","0.0001","90","","90","","90","","1016.56","0.03","293","2","293","2","","","","","","","Synthesized by the authors. See text","6","P c a 21","P 2c -2ac","29","","","","- C5 H8 Ag F3 O2 S2 -","- C5 H8 Ag F3 O2 S2 -","- C20 H32 Ag4 F12 O8 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0695","0.0682","","","0.1595","0.1607","","","","","","1.115","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508745","10.7139","0.0001","13.4083","0.0002","8.9523","0.0001","90","","90","","90","","1286.04","0.03","200","2","200","2","","","","","","","Synthesized by the authors. See text","6","P c a 21","P 2c -2ac","29","","","","- C7 H8 Ag F7 O2 S2 -","- C7 H8 Ag F7 O2 S2 -","- C28 H32 Ag4 F28 O8 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0485","0.0459","","","0.1087","0.11","","","","","","1.041","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508816","28.927","0.003","5.998","0.0006","21.499","0.002","90","","90","","90","","3730.2","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H40 N4 O8 -","- C42 H40 N4 O8 -","- C168 H160 N16 O32 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.033","0.032","","","0.0797","0.081","","","","","","1.092","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4509253","9.5932","0.0011","9.8128","0.0011","38.681","0.004","90","","90","","90","","3641.3","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H26 N4 O8 Zn2 -","- C38 H26 N4 O8 Zn2 -","- C152 H104 N16 O32 Zn8 -","4","1","","Sun, Qian; Yue, Qi; Zhang, Jian-Yong; Wang, Li; Li, Xue; Gao, En-Qing","Hydrothermal Synthesis, Structures, and Properties of Manganese(II) and Zinc(II) Coordination Polymers with Different Phenylenediacrylates","Crystal Growth & Design","2009","9","5","2310","","10.1021/cg8011266","","","0.71073","MoKα","","0.1288","0.074","","","0.1564","0.1827","","","","","","1.057","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509442","25.7057","0.0017","11.8041","0.0008","20.9672","0.0013","90","","90","","90","","6362.1","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C62 H44 N12 O18 Zn4 -","- C62 H40 N12 O18 Zn4 -","- C248 H160 N48 O72 Zn16 -","4","1","","Su, Zhi; Xu, Jing; Fan, Jian; Liu, De-Jun; Chu, Qian; Chen, Man-Sheng; Chen, Shui-Sheng; Liu, Guang-Xiang; Wang, Xiao-Feng; Sun, Wei-Yin","Synthesis, Crystal Structure, and Photoluminescence of Coordination Polymers with Mixed Ligands and Diverse Topologies","Crystal Growth & Design","2009","9","6","2801","","10.1021/cg900059m","","","0.71073","MoKα","","0.0689","0.0523","","","0.1096","0.1155","","","","","","0.972","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509470","17.48","0.004","11.444","0.003","17.45","0.005","90","","90","","90","","3490.7","1.6","169","2","169","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H31 N5 Ni2 O15 V4 -","- C25 H31 N5 Ni2 O15 V4 -","- C100 H124 N20 Ni8 O60 V16 -","4","1","","Khan, M. Ishaque; Nome, Renata C.; Deb, Sangita; McNeely, James H.; Cage, Brant; Doedens, Robert J.","Inorganic−Organic Hybrid Materials with Novel Framework Structures: Synthesis, Structure, and Magnetic Properties of [Ni(py)4]2V10O29and [Ni2(py)5(H2O)3]V4O12","Crystal Growth & Design","2009","9","6","2848","","10.1021/cg9001237","","","0.71073","MoKα","","0.0209","0.0188","","","0.0469","0.0477","","","","","","1.105","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509646","13.5107","0.0005","30.28","0.0011","12.6926","0.0004","90","","90","","90","","5192.6","0.3","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C50 H58 N8 O12 S2 -","- C50 H58 N8 O12 S2 -","- C200 H232 N32 O48 S8 -","4","1","","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","","0.0974","0.0813","","","0.2254","0.2415","","","","","","1.063","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509851","26.329","0.006","6.6241","0.0015","7.3619","0.0017","90","","90","","90","","1284","0.5","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh","Combinatorial Synthesis and in Vitro Evaluation of a Biaryl Hydroxyketone Library as Antivirulence Agents against MRSA.","ACS combinatorial science","2014","16","2","85","91","10.1021/co400142t","","","0.71073","MoKα","","0.0464","0.0381","","","0.0923","0.0983","","","","","","1.043","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509988","18.296","0.002","9.8044","0.0011","13.0202","0.0015","90","","90","","90","","2335.6","0.5","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H18 Co N6 O6 S -","- C21 H18 Co N6 O6 S -","- C84 H72 Co4 N24 O24 S4 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0582","0.0422","","","0.0976","0.1061","","","","","","0.992","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510217","24.304","0.003","13.1642","0.0019","14.231","0.002","90","","90","","90","","4553.3","1.1","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H45 Br Cl6 N O8 P -","- C38 H45 Br Cl6 N O8 P -","- C152 H180 Br4 Cl24 N4 O32 P4 -","4","1","","Pathak, Rakesh K.; Marrache, Sean; Harn, Donald A.; Dhar, Shanta","Mito-DCA: A Mitochondria Targeted Molecular Scaffold for Efficacious Delivery of Metabolic Modulator Dichloroacetate.","ACS chemical biology","2014","9","5","1178","1187","10.1021/cb400944y","","","0.71073","MoKα","","0.1251","0.0629","","","0.1289","0.1556","","","","","","1.002","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510355","16.166","0.005","12.751","0.004","6.6381","0.0017","90","","90","","90","","1368.3","0.7","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 Se3 -","- C14 H8 N2 Se3 -","- C56 H32 N8 Se12 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor‒Acceptor‒Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.0788","0.0539","","","0.1563","0.1772","","","","","","1.067","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510376","10.6837","0.0009","5.1842","0.0004","43.511","0.004","90","","90","","90","","2409.9","0.4","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H22 Cd3 N2 O13 P2 -","- C18 H22 Cd3 N2 O13 P2 -","- C72 H88 Cd12 N8 O52 P8 -","4","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0642","0.0548","","","0.1465","0.1561","","","","","","1.037","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510625","18.379","0.004","4.3789","0.0011","13.658","0.003","90","","90","","90","","1099.2","0.4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-acetyloxy-3-acetylaminobenzoic acid","2-acetyloxy-3-acetylaminobenzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.1533","0.0913","","","0.1723","0.2057","","","","","","1.178","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510848","16.1551","0.0005","5.5958","0.0002","8.4538","0.0002","90","","90","","90","","764.23","0.04","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C24 H28 Br4 Cl4 N4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0267","0.0253","","","0.0599","0.0606","","","","","","1.017","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510851","15.606","0.002","5.4026","0.0007","8.7865","0.0011","90","","90","","90","","740.82","0.16","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C24 H28 Br4 Cl4 N4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0259","0.0239","","","0.0614","0.0623","","","","","","1.084","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4511158","29.846","0.017","21.31","0.008","12.09","0.008","90","","90","","90","","7689","7","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H82 Cu2 Fe3 N38 O5 -","- C52 H72 Cu2 Fe3 N38 O5 -","- C208 H288 Cu8 Fe12 N152 O20 -","4","1","","Suárez-Varela, José; Moreno, José María; Maimoun, Ikram Ben; Lloret, Francesc; Mrozinski, Jerzy; Kivekäs, Raikko; Colacio, Enrique","Novel Bimetallic-Dicyanamide Extended Two- and Three-Dimensional Networks through [Cu(rac-CTH)]2+Cation Templation","Crystal Growth & Design","2009","9","9","4102","","10.1021/cg9003438","","","0.71073","MoKα","","0.2209","0.1109","","","0.2737","0.3328","","","","","","1.007","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511576","8.4363","0.0011","13.1485","0.0017","17.833","0.002","90","","90","","90","","1978.1","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cu N2 O13 U -","- C14 H12 Cu N2 O13 U -","- C56 H48 Cu4 N8 O52 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.0611","0.0411","","","0.0931","0.1023","","","","","","0.992","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511779","10.107","0.004","17.521","0.008","17.023","0.007","90","","90","","90","","3015","2","98","2","98","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H31 N Ni P2 S -","- C36 H31 N Ni P2 S -","- C144 H124 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0563","0.0473","","","0.0963","0.1045","","","","","","1.028","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4512026","6.745","0.0002","33.3782","0.0009","33.0577","0.0011","90","","90","","90","","7442.5","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","3,6-bis(N,N-dianisylamino)-fluoren-9-ylidene malononitrile","3,6-bis-(N,N-di-(4-methoxyphenyl)amino)-fluoren-9-ylidene malononitrile","","- C44 H34 N4 O4 -","- C44 H34 N4 O4 -","- C352 H272 N32 O32 -","8","2","","Karak, Supravat; Homnick, Paul J.; Renna, Lawrence A.; Venkataraman, D.; Mague, Joel T.; Lahti, Paul M.","Solution-Processed Photovoltaics with a 3,6-Bis(diarylamino)fluoren-9-ylidene Malononitrile.","ACS applied materials & interfaces","2014","6","19","16476","16480","10.1021/am504993j","","","1.54178","CuKα","","0.1541","0.1149","","","0.2794","0.307","","","","","","1.049","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512077","15.46176","0.00017","11.47353","0.00013","40.5252","0.0005","90","","90","","90","","7189.21","0.14","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H32 Cu4 I4 S4 -","- C30 H32 Cu4 I4 S4 -","- C240 H256 Cu32 I32 S32 -","8","2","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0317","0.0263","","","0.063","0.0641","","","","","","1.033","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512107","10.179","0.002","4.9461","0.001","17.042","0.003","90","","90","","90","","858","0.3","120","0.2","120","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0347","0.032","","","0.075","0.0762","","","","","","1.156","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512108","10.193","0.002","4.9967","0.001","17.127","0.003","90","","90","","90","","872.3","0.3","300","0.5","300","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0375","0.0334","","","0.0752","0.0768","","","","","","1.122","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512109","10.21","0.002","5.008","0.001","17.153","0.003","90","","90","","90","","877.1","0.3","383","0.5","383","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0407","0.0353","","","0.0792","0.0816","","","","","","1.139","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512179","14.4188","0.0011","9.2474","0.0007","25.0399","0.0018","90","","90","","90","","3338.7","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-pyrazolidineacetic acid, 2-ethyl-5-oxo-α- [[(phenylmethoxy)carbonyl]amino]- methyl ester, (αR,3S)-rel","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C128 H168 N24 O40 -","8","2","","Lo Presti, Leonardo; Sist, Mattia; Loconte, Laura; Pinto, Andrea; Tamborini, Lucia; Gatti, Carlo","Rationalizing the Lacking of Inversion Symmetry in a Noncentrosymmetric Polar Racemate: An Experimental and Theoretical Study","Crystal Growth & Design","2014","14","11","5822","","10.1021/cg501074x","","","0.71073","MoKα","","0.034","0.02","","","","0.043","0.022","","","","","1.142","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512584","16.1973","0.0014","9.2551","0.0007","18.251","0.002","90","","90","","90","","2736","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H20 Cl N3 Ni -","- C12 H20 Cl N3 Ni -","- C96 H160 Cl8 N24 Ni8 -","8","2","","Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile","Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity","ACS Catalysis","2015","5","2","1164","","10.1021/cs501502u","","","0.71073","MoKα","","0.056","0.0367","","","0.0595","0.0651","","","","","","1.077","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4513222","21.79","0.001","7.585","0.0003","16.3519","0.0007","90","","90","","90","","2702.6","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H28 N6 O6 S2 -","- C24 H28 N6 O6 S2 -","- C96 H112 N24 O24 S8 -","4","1","","Adachi, Takuji; Connors, David M.; Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Strong Intermolecular Electronic Coupling of Chromophores Confined in Hydrogen-Bonded Frameworks","Crystal Growth & Design","2015","15","7","3366","","10.1021/acs.cgd.5b00452","","","0.71073","MoKα","","0.0459","0.0353","","","0.0814","0.0872","","","","","","1.023","","","","has coordinates,has disorder","140067","2020-10-21","18:00:00",""
"4513268","10.4481","0.0003","19.2259","0.0005","16.5666","0.0007","90","","90","","90","","3327.8","0.19","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Sulfamethizole-subericacid cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-Octane-1,8-dioic acid","","- C26 H34 N8 O8 S4 -","- C26 H34 N8 O8 S4 -","- C104 H136 N32 O32 S16 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0574","0.044","","","0.0824","0.0865","","","","","","1.04","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513704","23.2799","0.001","8.1784","0.0004","19.5232","0.0008","90","","90","","90","","3717.1","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H25 N6 Na O11 U -","- C42 H25 N6 Na O11 U -","- C168 H100 N24 Na4 O44 U4 -","4","1","","Thangavelu, Sonia G.; Cahill, Christopher L.","A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests","Crystal Growth & Design","2016","16","1","42","","10.1021/acs.cgd.5b00778","","","0.71073","MoKα","","0.0181","0.015","","","0.0347","0.0353","","","","","","1.051","","","","has coordinates","175771","2020-10-21","18:00:00",""
"4513764","15.666","0.003","7.2906","0.0013","21.328","0.004","90","","90","","90","","2436","0.8","160","2","160","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C20 H26 Cl F6 N3 O P Rh -","- C20 H26 Cl F6 N3 O P Rh -","- C80 H104 Cl4 F24 N12 O4 P4 Rh4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.044","0.0352","","","0.0999","0.1197","","","","","","1.305","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513768","16.0545","0.0003","7.2176","0.0001","24.4803","0.0004","90","","90","","90","","2836.65","0.08","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H36 Cl F6 N3 P Rh -","- C28 H36 Cl F6 N3 P Rh -","- C112 H144 Cl4 F24 N12 P4 Rh4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0282","0.0252","","","0.0558","0.0576","","","","","","1.058","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513842","17.7344","0.0005","14.2966","0.0004","30.6824","0.0009","90","","90","","90","","7779.3","0.4","200","2","200","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C268 H64 B8 Cl8 F160 Fe16 O48 S16 -","4","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.078","0.0537","","","0.1038","0.1147","","","","","","1.036","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513915","14.3612","0.0003","9.07325","0.00014","18.9809","0.0004","90","","90","","90","","2473.26","0.08","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H13 N3 O2 S2 -","- C10 H13 N3 O2 S2 -","- C80 H104 N24 O16 S16 -","8","2","","Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R.","High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors.","ACS combinatorial science","2016","","","","","10.1021/acscombsci.5b00155","","","0.71073","MoKα","","0.0432","0.0319","","","0.0764","0.079","","","","","","0.964","","","","has coordinates","184585","2020-10-21","18:00:00",""
"4513945","17.1305","0.0006","10.7085","0.0004","29.9187","0.001","90","","90","","90","","5488.3","0.3","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60 H51 B F20 N2 O Zr -","- C60 H51 B F20 N2 O Zr -","- C240 H204 B4 F80 N8 O4 Zr4 -","4","1","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.0517","0.0371","","","0.0744","0.08","","","","","","1.018","","","","has coordinates","187881","2020-10-21","18:00:00",""
"4514019","28.608","0.004","4.4122","0.0005","10.491","0.0011","90","","90","","90","","1324.2","0.3","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 N4 O -","- C17 H12 N4 O -","- C68 H48 N16 O4 -","4","1","","Cisneros, José A; Robertson, Michael J.; Mercado, Brandon Q.; Jorgensen, William L.","Systematic Study of Effects of Structural Modifications on the Aqueous Solubility of Drug-like Molecules.","ACS medicinal chemistry letters","2017","8","1","124","127","10.1021/acsmedchemlett.6b00451","","","1.54184","CuKα","","0.1207","0.086","","","0.2092","0.2421","","","","","","1.043","","","","has coordinates","191234","2020-10-21","18:00:00",""
"4514421","19.9594","0.0004","3.5553","0.0001","19.0219","0.0003","90","","90","","90","","1349.83","0.05","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- H7 N5 O2 -","- H7 N5 O2 -","- H84 N60 O24 -","12","3","","Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.","A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)","ACS Applied Energy Materials","2019","2","9","6919","","10.1021/acsaem.9b01447","","","1.54178","CuKα","","0.0585","0.0402","","","0.093","0.1025","","","","","","0.997","","","","has coordinates","219525","2020-10-21","18:00:00",""
"4514446","14.9446","0.0004","17.4259","0.0005","22.8666","0.0006","90","","90","","90","","5955","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H22 N6 Ni O5 -","- C32 H22 N6 Ni O5 -","- C256 H176 N48 Ni8 O40 -","8","2","","Du, Jia; Li, Yong; Liu, Hongwen; Shi, Wei; Moskaleva, Lyudmila V.; Cheng, Peng","Formation of One-Dimensional Coordination Chains for High-Performance Anode Materials of Lithium-Ion Batteries via a Bottom-Up Approach.","ACS applied materials & interfaces","2019","11","29","25863","25869","10.1021/acsami.9b06114","","","0.71073","MoKα","","0.081","0.0632","","","0.1561","0.1729","","","","","","1.038","","","","has coordinates","219635","2020-10-21","18:00:00",""
"4514865","10.7383","0.0006","18.1542","0.0008","7.5303","0.0004","90","","90","","90","","1468","0.13","210","2","210","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","1.54178","CuKα","","0.0576","0.0533","","","0.1451","0.1509","","","","","","1.046","","","","has coordinates","220026","2020-10-21","18:00:00",""
"4514976","16.687","0.006","7.538","0.003","49.99","0.017","90","","90","","90","","6288","4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 I N5 P2 Pt -","- C27 I N5 P2 Pt -","- C216 I8 N40 P16 Pt8 -","8","2","","Singh, Khushwant; Gangrade, Ankit; Jana, Achintya; Mandal, Biman B.; Das, Neeladri","Design, Synthesis, Characterization, and Antiproliferative Activity of Organoplatinum Compounds Bearing a 1,2,3-Triazole Ring","ACS Omega","2019","4","1","835","","10.1021/acsomega.8b02849","","","0.71073","MoKα","","0.1611","0.1157","","","0.2677","0.2868","","","","","","1.16","","","","has coordinates","220133","2020-10-21","18:00:00",""
"4515154","15.5743","0.0007","8.6442","0.0004","8.8487","0.0004","90","","90","","90","","1191.28","0.09","100","0.2","100","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","x-ray","1.54184","CuKα","","0.0442","0.04","","","0.1064","0.1111","","","","","","1.052","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515225","18.5028","0.0007","11.5294","0.0005","20.0879","0.0008","90","","90","","90","","4285.3","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H30 Cu6 N12 O0 S6 -","- C30 H30 Cu6 N12 S6 -","- C120 H120 Cu24 N48 S24 -","4","1","","Wang, XiaoXuan; Xu, XinXin; Liu, Ning; Shi, Fa-Nian; Shi, GuiMei","Zn‒H+ Battery, Versatile Energy Conversion Equipment for Electricity Generation and H2 Production Simultaneously","ACS Sustainable Chemistry & Engineering","2019","7","12","10979","","10.1021/acssuschemeng.9b02048","","","0.71073","MoKα","","0.078","0.0674","","","0.1925","0.2012","","","","","","1.426","","","","has coordinates","220325","2020-10-21","18:00:00",""
"4515403","21.168","0.019","10.192","0.009","36.49","0.03","90","","90","","90","","7873","12","156","2","156.05","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H87 Cu N10 O12 S2 -","- C76 H87 Cu N10 O12 S2 -","- C304 H348 Cu4 N40 O48 S8 -","4","1","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1499","0.0758","","","0.1823","0.2298","","","","","","1.011","","","","has coordinates,has disorder","225557","2020-10-21","18:00:00",""
"4515545","8.8458","0.0013","14.526","0.002","9.5388","0.0014","90","","90","","90","","1225.7","0.3","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H14 F3 N O -","- C12 H14 F3 N O -","- C48 H56 F12 N4 O4 -","4","1","","Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation","ACS Catalysis","2018","8","10","9408","","10.1021/acscatal.8b02885","","","0.71073","MoKα","","0.0282","0.0279","","","0.1136","0.1147","","","","","","1.051","","","","has coordinates","225702","2020-10-21","18:00:00",""
"4515565","11.7373","0.0019","4.431","0.0007","21.078","0.003","90","","90","","90","","1096.2","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0724","0.0613","","","0.1482","0.1541","","","","","","1.145","","","","has coordinates","225720","2020-10-21","18:00:00",""
"4515675","12.9176","0.0003","15.173","0.0003","16.7769","0.0003","90","","90","","90","","3288.25","0.12","240","2","240","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H20 O7 -","- C17 H19 O7 -","- C136 H152 O56 -","8","2","","Shu, Wei; Merino, Estíbaliz; Nevado, Cristina","Visible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes","ACS Catalysis","2018","8","7","6401","","10.1021/acscatal.8b00707","","x-ray","1.54184","CuKα","","0.0545","0.0527","","","0.1579","0.1606","","","","","","1.053","","","","has coordinates,has disorder","225808","2020-10-21","18:00:00",""
"4515735","19.868","0.0007","9.2131","0.0003","17.5258","0.0007","90","","90","","90","","3208","0.2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H39 Cl4 N Ru S -","- C32 H39 Cl4 N Ru S -","- C128 H156 Cl16 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0296","0.0273","","","0.0596","0.0607","","","","","","1.005","","","","has coordinates","225860","2020-10-21","18:00:00",""
"4515812","16.4344","0.0006","10.2454","0.0003","17.7291","0.0007","90","","90","","90","","2985.17","0.18","120","2","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H32 Cl4 N4 O6 W -","- C23 H32 Cl4 N4 O6 W -","- C92 H128 Cl16 N16 O24 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","K-L~3~","0.0332","0.0266","","","0.0578","0.0607","","","","","","1.05","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515827","17.9909","0.0003","22.189","0.0004","15.3463","0.0002","90","","90","","90","","6126.24","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C55 H48 Ce N15 O26 Ru2 -","- C55 H48 Ce N15 O26 Ru2 -","- C220 H192 Ce4 N60 O104 Ru8 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0388","0.0345","","","0.0888","0.0907","","","","","","1.141","","","","has coordinates,has disorder","225927","2020-10-21","18:00:00",""
"4515877","9.969","0.003","10.642","0.003","10.172","0.003","90","","90","","90","","1079.1","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(Phenyl)-2,2,2-trimethylacetamide","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71069","MoKα","","0.0387","0.0368","","","0.0902","0.0924","","","","","","1.123","","","","has coordinates","225969","2020-10-21","18:00:00",""
"4515880","10.1863","0.0008","9.1483","0.0007","11.8856","0.0009","90","","90","","90","","1107.59","0.15","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,2,2-Tribromo-<i>N</i>-phenylacetamide","","- C8 H6 Br3 N O -","- C8 H6 Br3 N O -","- C32 H24 Br12 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","1.5418","CuKα","","0.0818","0.0792","","","0.2325","0.2372","","","","","","1.053","","","","has coordinates","225972","2020-10-21","18:00:00",""
"4515885","25.9095","0.0015","12.7628","0.0007","25.9267","0.0015","90","","90","","90","","8573.4","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C252 H144 Cl16 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.118","0.1166","","","0.3128","0.3135","","","","","","1.174","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515893","39.915","0.003","12.8254","0.0008","17.5401","0.0011","90","","90","","90","","8979.2","1","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C288 H200 Cl8 Co60 N12 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0354","0.0342","","","0.0805","0.081","","","","","","1.104","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4516084","19.3428","0.0005","6.4501","0.0002","28.2467","0.0007","90","","90","","90","","3524.14","0.17","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H16 O13 -","- C17 H12 O13 -","- C136 H96 O104 -","8","2","","Tokutomi, Hisashi; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Molecular Structure of the Photo-Oxidation Product of Ellagic Acid in Solution.","ACS omega","2018","3","9","11179","11183","10.1021/acsomega.8b01716","","","1.54187","CuKα","","0.1435","0.0898","","","0.2192","0.2584","","","","","","1.033","","","","has coordinates","226097","2020-10-21","18:00:00",""
"4516393","7.9995","0.0012","19.124","0.003","15.191","0.002","90","","90","","90","","2324","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H22 F N O3 -","- C31 H22 F N O3 -","- C124 H88 F4 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0463","0.0435","","","0.111","0.1126","","","","","","1.08","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516411","7.9417","0.0005","18.8238","0.0011","15.5691","0.0009","90","","90","","90","","2327.5","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C124 H92 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","x-ray","0.71073","MoKα","","0.0316","0.0306","","","0.0774","0.0782","","","","","","1.062","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516417","14.552","0.0008","7.715","0.0019","36.234","0.005","90","","90","","90","","4067.9","1.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H31 N3 O2 -","- C19 H31 N3 O2 -","- C152 H248 N24 O16 -","8","2","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.1418","0.0981","","","0.2579","0.2879","","","","","","1.022","","","","has coordinates","231297","2020-10-21","18:00:00",""
"4516883","22.72","0.003","8.2209","0.0009","17.0117","0.0019","90","","90","","90","","3177.4","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","2","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0731","0.0439","","","0.0834","0.0936","","","","","","1.038","","","","has coordinates","239611","2020-10-21","18:00:00",""
"4517181","12.2928","0.0003","6.0102","0.0001","36.9034","0.0009","90","","90","","90","","2726.5","0.1","99.97","","99.97","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C144 H128 N16 -","8","2","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0443","0.0431","","","0.1153","0.1162","","","","","","1.05","","","","has coordinates,has disorder","245075","2020-10-21","18:00:00",""
"4517208","11.618","0.004","28.927","0.009","8.462","0.003","90","","90","","90","","2843.9","1.7","173","2","173.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H24 N2 O4 S2 -","- C36 H24 N2 O4 S2 -","- C144 H96 N8 O16 S8 -","4","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.2474","0.1167","","","0.1892","0.2372","","","","","","1.013","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517229","11.6101","0.0003","16.6814","0.0005","28.2286","0.0008","90","","90","","90","","5467.1","0.3","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C288 H144 O64 P16 -","16","4","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0519","0.0475","","","0.1217","0.1266","","","","","","1.026","","","","has coordinates,has Fobs","245437","2020-10-21","18:00:00",""
"4517300","22.4205","0.0004","3.8584","0.00007","46.0494","0.0008","90","","90","","90","","3983.61","0.12","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H16 Cl N5 -","- C27 H16 Cl N5 -","- C216 H128 Cl8 N40 -","8","2","","Gao, Weichen; Su, Yan; Wang, Zhonghao; Zhang, Yongfeng; Zhang, Dan; Jia, Peng; Yang, Chaolong; Li, Youbing; Ganguly, Rakesh; Zhao, Yanli","Effect of Carbazolyl Groups on Photophysical Properties of Cyanuric Chloride.","ACS applied materials & interfaces","2019","11","50","47162","47169","10.1021/acsami.9b17554","","","1.54178","CuKα","","0.0604","0.0594","","","0.1512","0.152","","","","","","1.094","","","","has coordinates","246477","2020-10-21","18:00:00",""
"4517420","43.582","0.001","5.8661","0.0001","7.7244","0.0002","90","","90","","90","","1974.79","0.08","295","2","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H14 F4 S2 -","- C26 H14 F4 S2 -","- C104 H56 F16 S8 -","4","1","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.0439","0.0369","","","0.0894","0.0916","","","","","","0.934","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517554","20.4684","0.0004","13.4202","0.0002","15.4089","0.0002","90","","90","","90","","4232.67","0.12","99.96","0.14","99.96","0.14","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H47 Ag Cl2 N5 O8 S2 -","- C40 H47 Ag Cl2 N5 O8 S2 -","- C160 H188 Ag4 Cl8 N20 O32 S8 -","4","1","","Elkoush, Tasneem; Mak, Choi L.; Paley, Daniel W.; Campbell, Michael G.","Silver(II) and Silver(III) Intermediates in Alkene Aziridination with a Dinuclear Silver(I) Nitrene Transfer Catalyst","ACS Catalysis","2020","","","4820","","10.1021/acscatal.0c00065","","x-ray","1.54184","CuKα","","0.0577","0.0541","","","0.1339","0.138","","","","","","1.022","","","","has coordinates,has disorder","250507","2020-10-21","18:00:00",""
"4517704","9.873","0.002","12.958","0.003","8.353","0.002","90","","90","","90","","1068.6","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C44 H52 N12 O4 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.1154","0.0483","","","0.0654","0.0869","","","","","","0.956","","","","has coordinates","252356","2020-10-21","18:00:00",""
"4517843","17.5632","0.0013","15.4812","0.0011","8.2466","0.0005","90","","90","","90","","2242.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Indole-3-carbinol","","- C9 H9 N O -","- C9 H9 N O -","- C108 H108 N12 O12 -","12","3","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0991","0.0639","","","0.144","0.168","","","","","","1.0376","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4518051","9.8601","0.0003","5.6544","0.0002","44.1243","0.0015","90","","90","","90","","2460.06","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","2","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0624","0.0572","","","0.1283","0.1308","","","","","","1.094","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518086","24.9365","0.0009","11.3131","0.0004","8.3785","0.0003","90","","90","","90","","2363.65","0.15","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H31 N O Si -","- C26 H31 N O Si -","- C104 H124 N4 O4 Si4 -","4","1","","Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong","Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination","ACS Catalysis","2020","","","11693","11699","10.1021/acscatal.0c03207","","","1.54178","CuKα","","0.0274","0.0274","","","0.0758","0.0758","","","","","","1.0695","","","","has coordinates,has disorder","256738","2020-10-21","18:00:00",""
"4518207","13.5574","0.0003","17.7049","0.0003","29.5129","0.0005","90","","90","","90","","7084.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","1","0.25","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0553","0.0404","","","0.1055","0.111","","","","","","0.989","","","","has coordinates,has disorder","259511","2020-12-04","02:14:59",""
"4518246","20.8044","0.0007","9.0158","0.0003","10.0248","0.0003","90","","90","","90","","1880.33","0.11","173","","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H20 F N O4 S -","- C20 H20 F N O4 S -","- C80 H80 F4 N4 O16 S4 -","4","1","","Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio","Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis","ACS Catalysis","2020","","","14117","14126","10.1021/acscatal.0c03927","","","0.71075","MoKα","","","0.0371","","","","0.0749","","","","","","0.92","","","","has coordinates","259192","2020-11-19","22:28:01",""
"4518268","34.6467","0.0011","5.3942","0.0002","43.381","0.0013","90","","90","","90","","8107.5","0.5","220","2","220","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C40 H40 S11 -","- C40 H40 S11 -","- C320 H320 S88 -","8","2","","Lin, Chia-Chi; Afraj, Shakil N.; Velusamy, Arulmozhi; Yu, Po-Chun; Cho, Chang-Hui; Chen, Jianhua; Li, Yi-Hsien; Lee, Gene-Hsiang; Tung, Shih-Huang; Liu, Cheng-Liang; Chen, Ming-Chou; Facchetti, Antonio","A Solution Processable Dithioalkyl Dithienothiophene (DSDTT) Based Small Molecule and Its Blends for High Performance Organic Field Effect Transistors.","ACS nano","2020","","","","","10.1021/acsnano.0c07003","","","1.54178","CuKα","","0.0715","0.0602","","","0.1421","0.1483","","","","","","1.071","","","","has coordinates,has disorder","259416","2020-12-01","22:49:56",""
"4518607","18.8316","0.0008","13.0705","0.0009","12.4137","0.0007","90","","90","","90","","3055.5","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H21 I8 N6 Sn2 -","- C10 H21 I8 N6 Sn2 -","- C40 H84 I32 N24 Sn8 -","4","1","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.0996","0.0579","","","0.0848","0.1009","","","","","","0.982","","","","has coordinates","263872","2021-04-05","21:54:54",""
"4518891","14.752","0.003","10.517","0.002","18.496","0.003","90","","90","","90","","2869.6","0.9","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H29 Cl4 Os P Sn -","- C28 H29 Cl4 Os P Sn -","- C112 H116 Cl16 Os4 P4 Sn4 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.0668","0.0631","","","0.1386","0.1406","","","","","","1.211","","","","has coordinates","267471","2021-07-12","21:43:12",""
"4519105","15.779","0.002","8.8435","0.001","13.4059","0.0017","90","","90","","90","","1870.7","0.4","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H30 Ca Cl2 N2 O8 -","- C11 H30 Ca Cl2 N2 O8 -","- C44 H120 Ca4 Cl8 N8 O32 -","4","1","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.1065","0.0658","","","0.1581","0.203","","","","","","1.089","","","","has coordinates","270245","2021-11-03","21:13:50",""
"4519143","10.2505","0.0004","14.9948","0.0006","10.2309","0.0004","90","","90","","90","","1572.53","0.11","193","2","192.99","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H17 F2 N O -","- C18 H17 F2 N O -","- C72 H68 F8 N4 O4 -","4","1","","Ma, Shucheng; Li, Fangjie; Zhang, Guisheng; Shi, Lei; Wang, Xiaoming","Highly Regioselective Difluoroalkylarylation of Butadiene through a Nickel-Catalyzed Tandem Radical Process","ACS Catalysis","2021","","","14848","14853","10.1021/acscatal.1c04237","","","1.34139","GaKα","","0.0564","0.0477","","","0.1218","0.1312","","","","","","1.028","","","","has coordinates","271024","2021-12-03","20:40:00",""
"4519187","17.6631","0.0004","15.9667","0.0004","19.1524","0.0005","90","","90","","90","","5401.4","0.2","150","2","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H24 F6 N O4 P S2 -","- C25 H24 F6 N O4 P S2 -","- C200 H192 F48 N8 O32 P8 S16 -","8","2","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","1.54178","CuKα","","0.0428","0.0387","","","0.1033","0.1071","","","","","","1.042","","","","has coordinates,has disorder","271053","2021-12-03","21:39:07",""
"4519352","10.631","0.002","13.873","0.003","8.6997","0.0015","90","","90","","90","","1283.1","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-4-(((2,4-dimethylphenyl)imino)methyl)phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Saqib; Ahmed, Gulzar; Al-Sehemi, Abdullah G; Alarfaji, Saleh S.; Ibraheem Khan, Muhammad Ehtisham","Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives.","ACS omega","2022","7","6","5217","5230","10.1021/acsomega.1c06325","","","0.71073","MoKα","","0.1173","0.0538","","","0.1133","0.1359","","","","","","1.004","","","","has coordinates","273259","2022-03-03","21:11:41",""
"5000106","9.254","0.002","19.127","0.004","9.704","0.002","90","","90","","90","","1717.62","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H3 N3 O7 -","- C6 H1.5 N3 O7 -","- C48 H12 N24 O56 -","8","2","","Duesler, E. N.; Engelmann, J. H.; Curtin, D. Y.; Paul, I. C.","Picric acid: C~6~H~3~N~3~O~7~","Crystal Structure Communications","1978","7","","449","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","175295","2020-10-21","18:00:00",""
"5000107","14.991","0.001","6.077","0.001","20.017","0.002","90","","90","","90","","1823.55","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C56 H40 N24 O48 -","8","2","","Carper, W. Robert; Davis, Larry P.; Extine, Michael W.","Molecular structure of 2,4,6-trinitrotoluene","The Journal of Physical Chemistry","1982","86","4","459","462","10.1021/j100393a009","","","","","","","","","","","","","","","","","","","","","has coordinates","175375","2020-10-21","18:00:00",""
"5000149","14.065","0.001","5.67","0.001","9.896","0.001","90","","90","","90","","789.19","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H3 N3 O6 -","- C6 N3 O6 -","- C24 N12 O24 -","4","1","","Laerdahl, Jon K.; Fægri, Knut; Rømming, Christian; Swang, Ole; Midtgård, Tonje; Schöffel, Klaus","Substituent crowding in nitrobenzenes","Journal of Molecular Structure","1998","445","1-3","89","98","10.1016/s0022-2860(97)00415-8","","","","","","","","","","","","","","","","","","","","","has coordinates","175402","2020-10-21","18:00:00",""
"5000197","15.503","0.002","5.666","0.001","7.918","0.003","90","","90","","90","","695.52","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Csoregh, I.; Palm, T.-B.","","Chemical Communications, University of Stockholm","1976","","","1","","","","","","","","","","","","","","","","","","","","","","","has coordinates","175385","2020-10-21","18:00:00",""
"5000209","8.5496","0.0006","8.5496","0.0006","12.091","0.0009","90","","90","","90","","883.8","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Trimagnesium heptaborate chloride","Boracite","?","- B7 Cl Mg3 O13 -","- B28 Cl4 Mg12 O52 -","4","1","","Dowty, E; Clark, J R","","Solid State Communications","1972","10","","543","548","10.1016/0038-1098(72)90063-4","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"6000200","6.288","0.004","7.361","0.004","16.93","0.01","90","","90","","90","","783.62","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-iodo-anisole","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Goubitz, K.; Sonneveld, E. J.; Schenk, H.","Crystal structure determination of a series of small organic compounds from powder data","Zeitschrift für Kristallographie","2001","216","3","176","181","10.1524/zkri.216.3.176.20326","","","","","","","","","","","","","","","","","","","","","has coordinates","288314","2023-12-14","16:11:10",""
"7000173","23.375","0.008","16.608","0.006","15.136","0.005","90","","90","","90","","5876","4","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C22 H51 Cd Cl N2 P2 Si -","- C22 H51 Cd Cl N2 P2 Si -","- C176 H408 Cd8 Cl8 N16 P16 Si8 -","8","2","","Minasian, Stefan G.; Arnold, John","Aluminium, zinc, gallium, and cadmium complexes supported by a monoanionic [N2P2] ligand","Dalton Transactions","2009","","1","106","110","10.1039/b815854a","","","0.7749","","","0.0378","0.0347","","","0.0854","0.0868","","","","","","1.146","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7000299","15.361","0.003","5.999","0.0012","22.999","0.005","90","","90","","90","","2119.4","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H21 N O6 S2 -","- C21 H21 N O6 S2 -","- C84 H84 N4 O24 S8 -","4","1","","Lee, Young Hoon; Harrowfield, Jack; Kim, Yang; Lim, Woo Taik; Park, Yu Cheol; Thuéry, Pierre","Functionalised azetidines as ligands: pyridyl-complemented coordination","Dalton Transactions","2009","","3","434","442","10.1039/b812295d","","","0.76999","SynchrotronRadiation","","0.0607","0.049","","","0.131","0.1391","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000457","13.2788","0.0002","7.1197","0.0001","24.9008","0.0005","90","","90","","90","","2354.15","0.07","200","2","200","2","","","","","","","","8","P c a 21","P 2c -2ac","29","K(Ru(NO)Cl2(ThiodiglyH-2)) H2O","","","- C4 H6 Cl2 K N O6 Ru S -","- C4 H6 Cl2 K N O6 Ru S -","- C32 H48 Cl16 K8 N8 O48 Ru8 S8 -","8","2","","Zangl, Anna; Klüfers, Peter; Schaniel, Dominik; Woike, Theo","Photoinduced linkage isomerism of {RuNO}6 complexes with bioligands and related chelators","Dalton Transactions","2009","","6","1034","1045","10.1039/b812246f","","","0.71073","MoKα","","0.0326","0.0248","","","0.0478","0.0502","","","","","","1.024","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7000472","27.4099","0.0006","45.3338","0.0008","20.1308","0.0004","90","","90","","90","","25014.4","0.9","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C150 H166 N12 O56 Zn12 -","- C126 H86 N12 O56 Zn12 -","- C504 H344 N48 O224 Zn48 -","4","1","","Hausdorf, Steffen; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian O. R. L.","Large pores generated by the combination of different inorganic units in a zinc hydroxide ethynylene diisophthalate MOF","Dalton Transactions","2009","","7","1107","1113","10.1039/b813532k","","","0.71073","MoKα","","0.0986","0.0644","","","0.1975","0.2213","","","","","","1.088","","","","has coordinates,has disorder","179682","2020-10-21","18:00:00",""
"7000560","22.9395","0.0012","11.5835","0.0005","23.2679","0.0011","90","","90","","90","","6182.7","0.5","117","2","117","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C64 H80 Ag B Ga4 -","- C64 H80 Ag B Ga4 -","- C256 H320 Ag4 B4 Ga16 -","4","1","","Bollermann, Timo; Puls, Arik; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.","Reactions of cationic transition metal acetonitrile complexes [M(CH3CN)n]m+ with GaCp*: novel gallium complexes of iron, cobalt, copper and silver","Dalton Transactions","2009","","8","1372","","10.1039/b815319a","","","0.71073","MoKα","","0.111","0.0304","","","0.0424","0.0477","","","","","","0.631","","","","has coordinates","179683","2020-10-21","18:00:00",""
"7001713","11.034","0.002","32.057","0.006","16.422","0.003","90","","90","","90","","5808.7","1.8","120","2","120","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C56 H60 Ag B F4 N12 O5 S4 -","- C56 H60 Ag B F4 N12 O5 S4 -","- C224 H240 Ag4 B4 F16 N48 O20 S16 -","4","1","","Qureshi, Naseem; Yufit, Dmitry S.; Howard, Judith A. K.; Steed, Jonathan W.","Ion-pair binding by mixed N,S-donor 2-ureidopyridine ligands","Dalton Transactions","2009","","29","5708","","10.1039/b905555j","","","0.71073","Mo-Kα","","0.152","0.0941","","","0.2035","0.2317","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001737","15.9022","0.0015","9.9651","0.0009","7.5081","0.0007","90","","90","","90","","1189.79","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H11 Co N O5 -","- C13 H11 Co N O5 -","- C52 H44 Co4 N4 O20 -","4","1","","Cheng, Xiao-Ning; Xue, Wei; Huang, Jun-Hou; Chen, Xiao-Ming","Spin canting and/or metamagnetic behaviours of four isostructural grid-type coordination networks","Dalton Transactions","2009","","29","5701","","10.1039/b901524h","","","0.71073","MoKα","","0.0327","0.0305","","","0.0685","0.0705","","","","","","1.068","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001738","15.974","0.0016","10.0241","0.001","7.6552","0.0008","90","","90","","90","","1225.8","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H11 Mn N O5 -","- C13 H11 Mn N O5 -","- C52 H44 Mn4 N4 O20 -","4","1","","Cheng, Xiao-Ning; Xue, Wei; Huang, Jun-Hou; Chen, Xiao-Ming","Spin canting and/or metamagnetic behaviours of four isostructural grid-type coordination networks","Dalton Transactions","2009","","29","5701","","10.1039/b901524h","","","0.71073","MoKα","","0.0283","0.0267","","","0.0687","0.0696","","","","","","1.094","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001932","16.579","0.004","17.136","0.004","17.631","0.004","90","","90","","90","","5009","2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C46 H48 B4 F14 N4 O4 Ru -","- C46 H48 B4 F14 N4 O4 Ru -","- C184 H192 B16 F56 N16 O16 Ru4 -","4","1","","Fawcett, John; Harding, Duncan A. J.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.","N-Heterocyclic carbene-containing ruthenium difluoro complexes and their reactivity towards BF3","Dalton Transactions","2009","","34","6861","6870","10.1039/b906321h","","","0.71073","MoKα","","0.089","0.0585","","","0.1139","0.1246","","","","","","0.964","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001933","13.6421","0.0018","9.6914","0.0013","13.9238","0.0019","90","","90","","90","","1840.9","0.4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H8 Br8 Nb2 O4 -","- C4 H8 Br8 Nb2 O4 -","- C16 H32 Br32 Nb8 O16 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Fragmentation of oxygen-containing molecules via C‒O bond cleavage promoted by coordination to niobium and tantalum pentahalides","Dalton Transactions","2009","","34","6759","6772","10.1039/b905023j","","","0.71073","MoKα","","0.0634","0.0547","","","0.1569","0.164","","","","","","1.061","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001935","13.7903","0.0019","9.526","0.0013","13.3244","0.0018","90","","90","","90","","1750.4","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H8 Cl8 Nb2 O4 -","- C4 H8 Cl8 Nb2 O4 -","- C16 H32 Cl32 Nb8 O16 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Fragmentation of oxygen-containing molecules via C‒O bond cleavage promoted by coordination to niobium and tantalum pentahalides","Dalton Transactions","2009","","34","6759","6772","10.1039/b905023j","","","0.71073","MoKα","","0.0722","0.0482","","","0.1014","0.1131","","","","","","1.056","","","","has coordinates,has disorder","179717","2020-10-21","18:00:00",""
"7002707","16.3779","0.0017","16.966","0.0017","21.199","0.002","90","","90","","90","","5890.5","1","185","2","185","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26 H26 Cl2 F6 N2 O2 Ti -","- C26 H26 Cl2 F6 N2 O2 Ti -","- C208 H208 Cl16 F48 N16 O16 Ti8 -","8","2","","Ye, Wei-Ping; Mu, Hong-Liang; Shi, Xin-Cui; Cheng, Yan-Xiang; Li, Yue-Sheng","Synthesis and characterization of the titanium complexes bearing two regioisomeric trifluoromethyl-containing enaminoketonato ligands and their behavior in ethylene polymerization","Dalton Transactions","2009","","43","9452","9465","10.1039/b906854f","","","0.71073","MoKα","","0.1455","0.0783","","","0.1554","0.1857","","","","","","0.996","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002786","16.1775","0.0012","11.5422","0.0009","16.3575","0.0013","90","","90","","90","","3054.3","0.4","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C31 H35 B N6 O S W -","- C31 H35 B N6 O S W -","- C124 H140 B4 N24 O4 S4 W4 -","4","1","","Adams, Christopher J.; Baber, Angharad; Boonyuen, Supakorn; Connelly, Neil G.; Diosdado, Beatriz E.; Kantacha, Anob; Orpen, A. Guy; Patrón, Elena","Thiolates vs. halides as π-donors: the redox-active alkyne complexes [M(SR)L(η-R′CCR′)L′] {M = Mo or W, L = CO or P(OMe)3, L′ = η-C5H5 and Tp′}","Dalton Transactions","2009","","44","9746","9758","10.1039/b912986c","","","0.71073","MoKα","","0.0432","0.0251","","","0.0436","0.048","","","","","","1.026","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7003079","14.273","0.0007","11.115","0.0007","10.194","0.0011","90","","90","","90","","1617.2","0.2","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H11 N4 O5 V -","- C17 H11 N4 O5 V -","- C68 H44 N16 O20 V4 -","4","1","","Pacigová, Silvia; Gyepes, Róbert; Tatiersky, Jozef; Sivák, Michal","Interpretation of the multiple vanadium-oxygen bonds in the central VO(η2-O2)+ group. Synthesis, structure, supramolecular interactions and DFT studies for complexes with 2,2′-bipyridine, 1,10-phenanthroline, pyrazinato(1‒) and pyrazinamide ligands","Dalton Transactions","2008","","1","121","","10.1039/b711347a","","","0.71073","MoKα","","0.1526","0.0635","","","0.0839","0.1056","","","","","","1.015","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003520","18.0377","0.0013","12.5498","0.0009","16.6597","0.0007","90","","90","","90","","3771.2","0.4","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1,2-bis(dimethylphosphonium)ethane bis(trichlorogermanate(ii))","1,2-bis(dimethylphosphonium)ethane bis(trichlorogermanate(II))","","- C6 H18 Cl6 Ge2 P2 -","- C6 H18 Cl6 Ge2 P2 -","- C48 H144 Cl48 Ge16 P16 -","8","2","","Davis, Martin F.; Levason, William; Reid, Gillian; Webster, Michael","Complexes of germanium(iv) fluoride with phosphane ligands: structural and spectroscopic authentication of germanium(iv) phosphane complexes","Dalton Transactions","2008","","17","2261","2269","10.1039/b716765b","","","0.71073","MoKα","","0.2079","0.0721","","","0.1115","0.1453","","","","","","0.954","","","","has coordinates","179739","2020-10-21","18:00:00",""
"7003596","23.933","0.0007","14.035","0.0011","22.706","0.0012","90","","90","","90","","7626.9","0.8","293","2","293","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C38 H60 Cu2 F4 N14 O44 Si W12 -","- C38 H54 Cu2 F4 N14 O44 Si W12 -","- C152 H216 Cu8 F16 N56 O176 Si4 W48 -","4","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Liu, Jie; Fu, Yao-Mei; Su, Zhong-Min","Inorganic‒organic hybrid materials with different dimensions constructed from copper‒fluconazole metal‒organic units and Keggin polyanion clusters","Dalton Transactions","2008","","15","2015","2025","10.1039/b717376h","","","0.71069","MoKα","","0.0612","0.0483","","","0.1131","0.1208","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7003839","26.5658","0.0015","6.4252","0.0004","18.7885","0.0011","90","","90","","90","","3207","0.3","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(Isopropoylmethyl)(1-naphthyl)tellurium(IV) dichloride","","","- C15 H16 Cl2 O Te -","- C15 H16 Cl2 O Te -","- C120 H128 Cl16 O8 Te8 -","8","2","","Chauhan, Ashok K. S.; Singh, Puspendra; Srivastava, Ramesh C.; Duthie, Andrew; Voda, Andreea","Acylmethyl(aryl)tellurium(iv,ii) derivatives: intramolecular secondary bonding and steric rigidity","Dalton Transactions","2008","","30","4023","4028","10.1039/b800473k","","","0.71073","MoKα","","0.0303","0.029","","","0.0684","0.0691","","","","","","0.977","","","","has coordinates,has disorder","179742","2020-10-21","18:00:00",""
"7003985","34.524","0.014","7.611","0.003","11.416","0.005","90","","90","","90","","3000","2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H18 Al F10 N -","- C36 H18 Al F10 N -","- C144 H72 Al4 F40 N4 -","4","1","","Dureen, Meghan A.; Stephan, Douglas W.","Biphenylamide ligand complexes of Li and Al: hemilabile arene donors?","Dalton Transactions","2008","","35","4723","4731","10.1039/b801772g","","","0.71073","MoKα","","0.0998","0.0441","","","0.0877","0.111","","","","","","0.96","","","","has coordinates","179743","2020-10-21","18:00:00",""
"7003993","23.485","0.009","11.516","0.005","13.329","0.005","90","","90","","90","","3605","2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C29 H42 Cl4 N4 Rh2 Se2 -","- C29 H42 Cl4 N4 Rh2 Se2 -","- C116 H168 Cl16 N16 Rh8 Se8 -","4","1","","Jia, Wei-Guo; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Syntheses and structures of half-sandwich iridium(iii) and rhodium(iii) complexes with organochalcogen (S, Se) ligands bearing N-methylimidazole and their use as catalysts for norbornene polymerization","Dalton Transactions","2008","","41","5612","5620","10.1039/B801862f","","","0.71073","MoKα","","0.0546","0.0411","","","0.0878","0.0938","","","","","","1.031","","","","has coordinates","179743","2020-10-21","18:00:00",""
"7004328","16.4203","0.0003","7.4637","0.0004","12.9605","0.0007","90","","90","","90","","1588.39","0.12","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H26 Cl2 N2 Pt -","- C12 H26 Cl2 N2 Pt -","- C48 H104 Cl8 N8 Pt4 -","4","1","","Lee, Jen-Jeh; Yang, Feng-Zhao; Lin, Ya-Fan; Chang, Ya-Chun; Yu, Kuo-Hsuan; Chang, Mu-Chieh; Lee, Gene-Hsiang; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Unsymmetrical bidentate ligands of α-aminoaldimines leading to sterically controlled selectivity of geometrical isomerism in square planar coordination","Dalton Transactions","2008","","43","5945","5956","10.1039/b805674a","","","0.71073","MoKα","","0.073","0.0517","","","0.1242","0.1398","","","","","","1.029","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004596","11.6204","0.0004","12.5139","0.0004","20.6339","0.0006","90","","90","","90","","3000.51","0.17","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H43.5 Cl2 N4 O21.25 P -","- C17 H32 Cl2 N4 O21.25 P -","- C68 H128 Cl8 N16 O85 P4 -","4","1","","Lima, Luís M. P.; Delgado, Rita; Drew, Michael G. B.; Brandão, Paula; Félix, Vítor","Cyclam derivatives containing three acetate pendant arms: synthesis, acid‒base, metal complexation and structural studies","Dalton Transactions","2008","","46","6593","6608","10.1039/b809100e","","","0.71073","MoKα","","0.0931","0.0512","","","0.1293","0.1548","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7004788","13.1547","0.0007","7.4543","0.0004","35.8185","0.0019","90","","90","","90","","3512.3","0.3","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H19 N2 P Se2 -","- C16 H19 N2 P Se2 -","- C128 H152 N16 P8 Se16 -","8","2","","Hua, Guoxiong; Zhang, Qingzhi; Li, Yang; Slawin, Alexandra M. Z.; Woollins, J. Derek","From phenylalkylcyanamides to heterocyclic selenazadiphospholaminediselenides and carbamidoyl(phenyl)phosphinodiselenoic acids","Dalton Transactions","2008","","41","5563","5566","10.1039/b813406p","","","0.71073","MoKα","","0.0325","0.0322","","","0.0741","0.0742","","","","","","1.21","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004838","16.1725","0.0004","10.597","0.0003","18.8348","0.0005","90","","90","","90","","3227.91","0.15","150","","150","","","","","","","","synthesis as described","7","P c a 21","P 2c -2ac","29","","","","- C31 H32 N4 O P Re S4 -","- C31 H32 N4 O P Re S4 -","- C124 H128 N16 O4 P4 Re4 S16 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Ross, Susan J.","Rhenium diazenide ternary complexes with dithiocarbamate ligands: towards new rhenium radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2007","","1","73","82","10.1039/B611403B","","","0.71073","MoKα","","0.0569","0.0353","","0.0638","0.0399","0.0399","","","","","","1.0889","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005308","11.9865","0.0007","3.7315","0.0002","17.5501","0.0011","90","","90","","90","","784.97","0.08","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H7 N5 -","- C8 H7 N5 -","- C32 H28 N20 -","4","1","","Ismayilov, Rayyat Huseyn; Wang, Wen-Zhen; Lee, Gene-Hsiang; Wang, Rui-Ren; Liu, Isiah Po-Chun; Yeh, Chen-Yu; Peng, Shie-Ming","New versatile ligand family, pyrazine-modulated oligo-alpha-pyridylamino ligands, from coordination polymer to extended metal atom chains.","Dalton transactions (Cambridge, England : 2003)","2007","","27","2898","2907","10.1039/b700533d","","","0.71073","MoKα","","0.0647","0.0546","","","0.1212","0.1266","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005359","11.9928","0.0004","7.5678","0.0003","17.5866","0.0006","90","","90","","90","","1596.14","0.1","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H15 Mn N O6 S3 -","- C10 H15 Mn N O6 S3 -","- C40 H60 Mn4 N4 O24 S12 -","4","1","","Li, Fengyan; Xu, Lin; Gao, Guanggang; Qu, Xiaosu; Yang, Yanyan","A new one-dimensional Mn(II) complex containing two enantiomeric subunits with mixed carboxylate, pyridine and sulfinate bridges.","Dalton transactions (Cambridge, England : 2003)","2007","","17","1661","1664","10.1039/b701346a","","","0.71073","MoKα","","0.035","0.0331","","","0.0896","0.0908","","","","","","1.056","","","","has coordinates","179757","2020-10-21","18:00:00",""
"7005540","27.6657","0.0019","7.9539","0.0006","10.7296","0.0007","90","","90","","90","","2361.1","0.3","213","2","213","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H37 Cl Cu N4 O9 -","- C19 H37 Cl Cu N4 O9 -","- C76 H148 Cl4 Cu4 N16 O36 -","4","1","","Heroux, Katie J.; Woodin, Katrina S.; Tranchemontagne, David J.; Widger, Peter C. B.; Southwick, Evan; Wong, Edward H.; Weisman, Gary R.; Tomellini, Sterling A.; Wadas, Thaddeus J.; Anderson, Carolyn J.; Kassel, Scott; Golen, James A.; Rheingold, Arnold L.","The long and short of it: the influence of N-carboxyethyl versusN-carboxymethyl pendant arms on in vitro and in vivo behavior of copper complexes of cross-bridged tetraamine macrocycles.","Dalton transactions (Cambridge, England : 2003)","2007","","21","2150","2162","10.1039/b702938a","","","0.71073","MoKα","","0.0261","0.0246","","","0.0605","0.0614","","","","","","1.028","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005767","17.8735","0.0016","12.7925","0.001","9.0933","0.0009","90","","90","","90","","2079.2","0.3","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","BSBH(m-OMe)","","","- C21 H25 B N2 O4 -","- C21 H25 B N2 O4 -","- C84 H100 B4 N8 O16 -","4","1","","Charkoudian, Louise K.; Pham, David M.; Kwon, Ashley M.; Vangeloff, Abbey D.; Franz, Katherine J.","Modifications of boronic ester pro-chelators triggered by hydrogen peroxide tune reactivity to inhibit metal-promoted oxidative stress.","Dalton transactions (Cambridge, England : 2003)","2007","","43","5031","5042","10.1039/b705199a","","","0.71073","MoKα","","0.0666","0.0427","","","0.1057","0.1185","","","","","","1.014","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7005817","23.2367","0.0004","8.2259","0.0001","13.8563","0.0002","90","","90","","90","","2648.53","0.07","150","2","150","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","","","- C7 H18 I N4 P -","- C7 H18 I N4 P -","- C56 H144 I8 N32 P8 -","8","2","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M.","Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN).","Dalton transactions (Cambridge, England : 2003)","2007","","30","3252","3258","10.1039/b705651f","","x-ray","0.71073","MoKα","","0.0536","0.037","","","0.0729","0.0802","","","","","","1.052","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7005833","34.821","0.003","11.161","0.0011","37.628","0.003","90","","90","","90","","14624","2","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C70 H59 F6 Mn2 N2 O9 P5 -","- C70 H59 F6 Mn2 N2 O9 P5 -","- C560 H472 F48 Mn16 N16 O72 P40 -","8","2","","Adams, Christopher J.; Anderson, Kirsty M.; Connelly, Neil G.; Llamas-Rey, Estefania; Orpen, A. Guy; Paul, Rowena L.","The effect of micro-CN linkage isomerism and ancillary ligand set on directional metal-metal charge-transfer in cyanide-bridged dimanganese complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3609","3622","10.1039/b705975b","","","0.71073","MoKα","","0.1874","0.0707","","","0.1182","0.1437","","","","","","0.812","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7005895","12.5827","0.0005","18.3977","0.0007","11.7294","0.0004","90","","90","","90","","2715.27","0.18","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H21 Cl O3 P Rh -","- C11 H21 Cl O3 P Rh -","- C88 H168 Cl8 O24 P8 Rh8 -","8","2","","Lorenzini, Fabio; Patrick, Brian O.; James, Brian R.","Synthesis and X-ray structures of water-soluble tris(hydroxymethyl)phosphine complexes of rhodium(I).","Dalton transactions (Cambridge, England : 2003)","2007","","30","3224","3226","10.1039/b706691k","","","0.71073","MoKα","","0.0416","0.0318","","","0.068","0.0719","","","","","","1.018","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7006337","17.3944","0.0017","14.6134","0.0014","11.9982","0.0012","90","","90","","90","","3049.8","0.5","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","02080","","","- C25 H48 Cl2 N4 O3 Zn2 -","- C25 H48 Cl2 N4 O3 Zn2 -","- C100 H192 Cl8 N16 O12 Zn8 -","4","1","","Breyfogle, Laurie E.; Williams, Charlotte K.; Young, Jr, Victor G; Hillmyer, Marc A.; Tolman, William B.","Comparison of structurally analogous Zn2, Co2, and Mg2 catalysts for the polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","928","936","10.1039/b507014g","","","0.71073","MoKα","","0.0552","0.0437","","","0.1212","0.1269","","","","","","1.049","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006340","17.254","0.002","15.0382","0.0018","11.4742","0.0014","90","","90","","90","","2977.2","0.6","173","2","173","2","","","","","","","Charlotte K. Williams","6","P c a 21","P 2c -2ac","29","02008","LZn2Cl3","","- C23 H43 Cl3 N4 O2 Zn2 -","- C23 H43 Cl3 N4 O2 Zn2 -","- C92 H172 Cl12 N16 O8 Zn8 -","4","1","","Breyfogle, Laurie E.; Williams, Charlotte K.; Young, Jr, Victor G; Hillmyer, Marc A.; Tolman, William B.","Comparison of structurally analogous Zn2, Co2, and Mg2 catalysts for the polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2006","","7","928","936","10.1039/b507014g","","","0.71073","MoKα","","0.0662","0.0447","","","0.1029","0.115","","","","","","1.039","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006407","37.297","0.002","10.5955","0.0006","29.6321","0.0017","90","","90","","90","","11710","1.1","300","2","300","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[di(dicarbollido)cobalt(III)] nitromethane solvate (1/0.75)","","- C30.75 H64.25 B36 Co2 Fe N10.75 O1.5 -","- C30.75 H64.25 B36 Co2 Fe N10.75 O1.5 -","- C246 H514 B288 Co16 Fe8 N86 O12 -","8","2","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0507","0.0439","","","0.1121","0.1169","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006408","37.3516","0.0019","10.584","0.0006","29.5118","0.0015","90","","90","","90","","11666.9","1.1","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[di(dicarbollido)cobalt(III)] nitromethane solvate (1/0.75)","","- C30.75 H64.25 B36 Co2 Fe N10.75 O1.5 -","- C30.75 H64.25 B36 Co2 Fe N10.75 O1.5 -","- C246 H514 B288 Co16 Fe8 N86 O12 -","8","2","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0973","0.0765","","","0.2015","0.2141","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006447","12.957","0.003","21.405","0.005","21.458","0.005","90","","90","","90","","5951","2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H33 Br Cu N3 -","- C33 H33 Br Cu N3 -","- C264 H264 Br8 Cu8 N24 -","8","2","","Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Boxwell, Clive J.; Whitwood, Adrian C.; Walton, Paul H.","Syntheses of copper(I)cis-1,3,5-tri-iminocyclohexane complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1790","1795","10.1039/b510703b","","","0.71073","MoKα","","0.0664","0.0416","","","0.0684","0.0773","","","","","","1.052","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006538","18.531","0.004","13.406","0.003","22.257","0.005","90","","90","","90","","5529","2","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H65 Mn4 N3 O18 -","- C52 H65 Mn4 N3 O18 -","- C208 H260 Mn16 N12 O72 -","4","1","","Wittick, Lisa M.; Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Spiccia, Leone; Berry, Kevin J.; Murray, Keith S.","New mixed-valence MnII2MnIII2 clusters exhibiting an unprecedented MnII/III oxidation state distribution in their magnetically coupled cores.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1534","1543","10.1039/b511817d","","","0.71073","MoKα","","0.1045","0.0497","","","0.0973","0.1162","","","","","","0.959","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006879","19.08","0.0009","19.454","0.0009","16.0843","0.0008","90","","90","","90","","5970.2","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Lithium 4-cyanophenoxide THF solvate","","","- C60 H80 Li4 N4 O12 -","- C60 H80 Li4 N4 O12 -","- C240 H320 Li16 N16 O48 -","4","1","","MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.","4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1875","1884","10.1039/b515011f","","x-ray","0.71073","MoKα","","0.0528","0.0447","","","0.1178","0.1244","","","","","","1.046","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006927","41.93","0.007","5.1238","0.0011","9.745","0.004","90","","90","","90","","2093.6","1","173","","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H20 Cl N3 O S -","- C25 H20 Cl N3 O S -","- C100 H80 Cl4 N12 O4 S4 -","4","1","","Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2881","2890","10.1039/b515610f","","","0.71073","MoKα","","0.1012","0.0465","","0.0621","0.0449","0.0449","","","","","","0.9126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006966","17.285","0.004","14.357","0.003","12.751","0.003","90","","90","","90","","3164.3","1.2","210","2","210","2","","","","","","","Crystals were grown by slow evaporation of a methanolic solution","7","P c a 21","P 2c -2ac","29","","","","- C21 H41 Cl3 N4 O9 Pd2 S -","- C21 H41 Cl3 N4 O9 Pd2 S -","- C84 H164 Cl12 N16 O36 Pd8 S4 -","4","1","","Siedle, Gabriel; Kersting, Berthold","Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2114","2126","10.1039/b516071E","","","0.71073","MoKα","","0.1133","0.054","","","0.1178","0.1554","","","","","","1.045","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7007405","31.855","0.006","10.205","0.002","25.904","0.005","90","","90","","90","","8421","3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H57 Ga K N4 O3 V -","- C40 H57 Ga K N4 O3 V -","- C320 H456 Ga8 K8 N32 O24 V8 -","8","2","","Aldridge, Simon; Baker, Robert J.; Coombs, Natalie D.; Jones, Cameron; Rose, Richard P.; Rossin, Andrea; Willock, David J.","Complexes of a gallium heterocycle with transition metal dicyclopentadienyl and cyclopentadienylcarbonyl fragments, and with a dialkylmanganese compound.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3313","3320","10.1039/b604640a","","","0.71073","MoKα","","0.0889","0.0607","","","0.114","0.1252","","","","","","1.032","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007555","30.716","0.003","7.2926","0.0006","21.0737","0.0018","90","","90","","90","","4720.5","0.7","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H13 Fe Mo N O7 -","- C24 H13 Fe Mo N O7 -","- C192 H104 Fe8 Mo8 N8 O56 -","8","2","","Zhang, Lei; Sun, Jie; Zhu, Huping; Xu, Qiang; Tsumori, Nobuko; Chen, Jiabi","Novel dimetal bridging carbene complexes derived from a terminal carbonyl dimetal compound. Syntheses, structures and reactivities of 7H-indene-coordinated diiron bridging carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4348","4358","10.1039/b607283f","","","0.71073","MoKα","","0.0891","0.0471","","","0.0749","0.0842","","","","","","0.843","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007651","13.4877","0.001","6.9699","0.0005","9.4739","0.0007","90","","90","","90","","890.62","0.11","298","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H3 N O6 U -","- C7 H3 N O6 U -","- C28 H12 N4 O24 U4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0317","0.0222","","","0.0367","0.0398","","","","","","0.92","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007880","18.9738","0.0004","13.6219","0.0003","17.4912","0.0004","90","","90","","90","","4520.76","0.17","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H44 N12 Ni3 O9 S4 -","- C38 H44 N12 Ni3 O9 S4 -","- C152 H176 N48 Ni12 O36 S16 -","4","1","","Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5683","5690","10.1039/b612123c","","","0.71073","MoKα","","0.073","0.0559","","","0.1503","0.1647","","","","","","1.036","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7008035","21.7324","0.0003","7.2463","0.0002","24.1595","0.0004","90","","90","","90","","3804.63","0.13","150","","150","","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","","","- C26 H52 N6 S8 Zn2 -","- C26 H52 N6 S8 Zn2 -","- C104 H208 N24 S32 Zn8 -","4","1","","Wong, Wallace W. H.; Curiel, David; Cowley, Andrew R.; Beer, Paul D.","Dinuclear zinc(II) dithiocarbamate macrocycles: ditopic receptors for a variety of guest molecules.","Dalton transactions (Cambridge, England : 2003)","2005","","2","359","364","10.1039/b415935g","","","0.71073","MoKα","","0.0425","0.0347","","0.0438","0.0365","0.0365","","","","","","1.0987","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008099","19.405","0.001","8.497","0.0005","23.116","0.002","90","","90","","90","","3811.5","0.4","122.4","0.5","","","","","","","","","Local laboratory","7","P c a 21","P 2c -2ac","29","s-(Co(tren-engly)) ZnCl4","","","- C10 H24 Cl4 Co N5 O2 Zn -","- C10 H24 Cl4 Co N5 O2 Zn -","- C80 H192 Cl32 Co8 N40 O16 Zn8 -","8","2","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0333","0.0269","","","0.0538","0.0599","","","","","","1.289","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008278","21.14","0.001","9.467","0.001","17.084","0.001","90","","90","","90","","3419.1","0.4","150","","150","","","","","","","","?","6","P c a 21","P 2c -2ac","29","(Zr2(mu-N-2,6-C6H3Me2)2Cl4(NHMe2)2(THF)2)","[Zr2(mu-N-2,6-C6H3Me2)2Cl4(NHMe2)2(THF)2]","","- C28 H48 Cl4 N4 O2 Zr2 -","- C28 H48 Cl4 N4 O2 Zr2 -","- C112 H192 Cl16 N16 O8 Zr8 -","4","1","","Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip","New and versatile routes to zirconium imido dichloride compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1448","1458","10.1039/b500507h","","","0.71073","MoKα","","","0.0231","","","","0.0267","","","","","","1.0185","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008461","12.447","0.001","19.213","0.002","33.768","0.003","90","","90","","90","","8075.4","1.3","100","1","100","1","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C40 H64 Mg N2 O6 -","- C40 H64 Mg N2 O6 -","- C320 H512 Mg8 N16 O48 -","8","2","","Ejfler, Jolanta; Kobyłka, Michał; Jerzykiewicz, Lucjan B.; Sobota, Piotr","Highly efficient magnesium initiators for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2005","","11","2047","2050","10.1039/b503134f","","x-ray","1.5418","CuKα","","0.0695","0.0385","","","0.0435","0.0652","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008534","12.503","0.002","10.546","0.003","19.355","0.004","90","","90","","90","","2552.1","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H20 N Re S8 -","- C19 H12 N Re S8 -","- C76 H48 N4 Re4 S32 -","4","1","","Lepareur, Nicolas; Mévellec, Franck; Noiret, Nicolas; Refosco, Fiorenzo; Tisato, Francesco; Porchia, Marina; Bandoli, Giuliano","Syntheses and reactivity of 'sulfur rich' Re(iii) and Tc(iii) complexes containing trithioperoxybenzoate, dithiobenzoate and dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2866","2875","10.1039/b503938j","","","0.71073","MoKα","","0.0656","0.0546","","","0.1419","0.1545","","","","","","1.013","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008572","15.4796","0.0006","11.7954","0.0006","15.1196","0.0009","90","","90","","90","","2760.7","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(nickel(ii)tetrahydroxypropylcyclam)(nitrate)","[nickel(II)tetrahydroxypropylcyclam][nitrate]","","- C22 H48 N6 Ni O10 -","- C22 H48 N6 Ni O10 -","- C88 H192 N24 Ni4 O40 -","4","1","","Channa, Asif; Steed, Jonathan W.","Anion and cation binding by a pendant arm cyclam and its macrobicyclic derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2455","2461","10.1039/b504561d","","","0.71073","MoKα","","0.0852","0.0509","","","0.0839","0.0926","","","","","","1.004","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008656","25.4999","0.0012","4.9181","0.0002","28.3899","0.0013","90","","90","","90","","3560.4","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H20 N6 -","- C22 H20 N6 -","- C176 H160 N48 -","8","2","","Wang, Lei; Zhu, Xun-Jin; Wong, Wai-Yeung; Guo, Jian-Ping; Wong, Wai-Kwok; Li, Zao-Ying","Dipyrrolylquinoxaline-bridged Schiff bases: a new class of fluorescent sensors for mercury(II).","Dalton transactions (Cambridge, England : 2003)","2005","","19","3235","3240","10.1039/b505676d","","","0.71073","MoKα","","0.0503","0.0437","","","0.1163","0.1227","","","","","","1.052","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008661","14.7068","0.0003","8.7083","0.0001","29.9347","0.0005","90","","90","","90","","3833.77","0.11","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H30 Cd3 Cl N9 O2 -","- C33 H30 Cd3 Cl N9 O2 -","- C132 H120 Cd12 Cl4 N36 O8 -","4","1","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71069","MoKα","","0.0484","0.0272","","","0.0715","0.0755","","","","","","0.913","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008737","13.586","0.001","16.156","0.001","18.833","0.002","90","","90","","90","","4133.8","0.6","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C11 H24 Cl2 Hg N2 O8 S3 -","- C11 H24 Cl2 Hg N2 O8 S3 -","- C88 H192 Cl16 Hg8 N16 O64 S24 -","8","2","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.0776","0.036","","","0.0659","0.0799","","","","","","1.056","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008739","15.788","0.002","9.698","0.001","13.262","0.001","90","","90","","90","","2030.6","0.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C11 H24 Cl2 N2 O9 S2 Zn -","- C11 H24 Cl2 N2 O9 S2 Zn -","- C44 H96 Cl8 N8 O36 S8 Zn4 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.0758","0.0491","","","0.1347","0.1402","","","","","","0.82","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008758","18.583","0.007","13.026","0.005","14.035","0.005","90","","90","","90","","3397","2","193.2","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H12 Cu F N3 S3 -","- C16 H12 Cu F N3 S3 -","- C128 H96 Cu8 F8 N24 S24 -","8","2","","Miyamoto, Riichi; Santo, Ryoko; Matsushita, Toshio; Nishioka, Takanori; Ichimura, Akio; Teki, Yoshio; Kinoshita, Isamu","A complete series of copper(II) halide complexes (X = F, Cl, Br, I) with a novel Cu(II)-C(sp3) bond.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3179","3186","10.1039/b507073b","","","0.7107","MoKα","","","0.0521","","","","0.0916","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008760","17.156","0.0003","18.3999","0.0003","20.7284","0.0003","90","","90","","90","","6543.31","0.18","273","2","273","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H52 Cu2 N8 O50 Si W12 -","- C40 H32 Cu2 N8 O42 Si W12 -","- C160 H128 Cu8 N32 O168 Si4 W48 -","4","1","","Lisnard, Laurent; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Codjovi, Epiphane; Sécheresse, Francis","Molecular and multidimensional polyoxotungstates functionalized by {Cu(bpy)}2+ groups.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3913","3920","10.1039/b507124k","","","0.71073","MoKα","","0.0834","0.0562","","","0.1419","0.1609","","","","","","0.991","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008787","13.5684","0.0012","9.0189","0.0005","18.6982","0.0014","90","","90","","90","","2288.1","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H30 N3 P Pd S2 -","- C16 H30 N3 P Pd S2 -","- C64 H120 N12 P4 Pd4 S8 -","4","1","","Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.","Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides","Dalton Transactions","2005","","23","3722","","10.1039/b508134c","","","0.71073","MoKα","","0.0305","0.0281","","","0.0723","0.0741","","","","","","1.061","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008822","6.9943","0.0008","15.806","0.002","10.735","0.001","90","","90","","90","","1186.8","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cadmium (ii) bis-nitrate-bis-pyrimidine","Cadmium (II) bis-nitrate-bis-pyrimidine","","- C8 H8 Cd N6 O6 -","- C8 H8 Cd N6 O6 -","- C32 H32 Cd4 N24 O24 -","4","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3852","3861","10.1039/b509294a","","","0.71073","MoKα","","0.0216","0.0192","","","0.0477","0.0487","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008893","20.743","0.006","11.6","0.005","19.813","0.004","90","","90","","90","","4767","3","293","","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C47.554 H35.108 Cl1.108 O8 P2 Ru3 -","- C47.554 H33.108 Cl1.108 O8 P2 Ru3 -","- C190.216 H132.432 Cl4.432 O32 P8 Ru12 -","4","1","","Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","Preparation and structural characterisation of some ruthenium cluster carbonyls containing allenylidene ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","6","881","","10.1039/a906379j","","","0.71073","MoKα","","0.075","0.053","","0.068","","0.06","","","1.298","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009203","19.289","0.004","15.548","0.002","20.389","0.004","90","","90","","90","","6114.8","1.9","150","","150","","","","","","","","?","6","P c a 21","P 2c -2ac","29","","","","- C22 H41 Cl4 N2 Si2 Ta -","- C22 H41 Cl4 N2 Si2 Ta -","- C176 H328 Cl32 N16 Si16 Ta8 -","8","2","","Chen, Chi-Tien; Doerrer, Linda H.; Williams, V. Cliff; Green, Malcolm L. H.","Niobium- and tantalum-benzamidinato complexes with trimethylphosphine, imido, or η-cyclopentadienyl derivatives","Journal of the Chemical Society, Dalton Transactions","2000","","6","967","","10.1039/a909333h","","","0.71069","MoKα","","","0.0243","","","0.0281","","","","","1.0262","1.0262","","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009404","10.001","0.003","6.712","0.0013","18.633","0.002","90","","90","","90","","1250.8","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H16 Al2 N2 O11 P2 -","- C3 H14 Al2 N2 O11 P2 -","- C12 H56 Al8 N8 O44 P8 -","4","1","","Yuan, Hong-Ming; Chen, Jie-Sheng; Shi, Zhan; Chen, Wei; Wang, Ying; Zhang, Ping; Yu, Ji-Hong; Xu, Ru-Ren","Synthesis and structural characterisation of a new layered aluminophosphate [C3H12N2][Al2P2O8(OH)2]·H2O","Journal of the Chemical Society, Dalton Transactions","2000","","13","1981","","10.1039/b000685h","","","0.71073","MoKα","","0.0306","0.0269","","","0.0648","0.0667","","","","","","1.046","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7009678","33.921","0.011","10.103","0.002","17.915","0.004","90","","90","","90","","6140","3","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H58 Cl2 Mn N12 O10 -","- C60 H54 Cl2 Mn N12 O10 -","- C240 H216 Cl8 Mn4 N48 O40 -","4","1","","Fei, Bao-Li; Sun, Wei-Yin; Zhang, Yan-An; Yu, Kai-Bei; Tang, Wen-Xia","Synthesis and crystal structure of an infinite one-dimensional chain containing a poly-metallocage of MnII with 4,4'-bis(imidazol-1-ylmethyl)biphenyl","Journal of the Chemical Society, Dalton Transactions","2000","","14","2345","","10.1039/b002692l","","","0.71073","MoKα","","0.1827","0.0496","","","0.0754","0.0999","","","","","","0.722","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009721","18.158","0.005","8.978","0.002","34.173","0.009","90","","90","","90","","5571","2","159","2","159","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H22 Cl2 Co N5 O9 -","- C25 H22 Cl2 Co N5 O9 -","- C200 H176 Cl16 Co8 N40 O72 -","8","2","","Hartshorn, Richard M.; Telfer, Shane G.","The photodecarboxylation of [N,N-bis(2-pyridylmethyl)amino acidato]phenanthrolinecobalt(III) complexes: ‒ formation and decomposition of metallacyclic species †","Journal of the Chemical Society, Dalton Transactions","2000","","16","2801","","10.1039/b003095n","","","0.71073","MoKα","","0.0763","0.0431","","","0.1006","0.1077","","","","","","0.882","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009938","10.7873","0.0006","30.106","0.0016","9.7817","0.0005","90","","90","","90","","3176.7","0.3","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[H3O][(F17C8)2PO2] + acetone","","","- C19 H9 F34 O4 P -","- C19 H9 F34 O4 P -","- C76 H36 F136 O16 P4 -","4","1","","Rajendra P. Singh; Brendan Twamley; Jean'ne M. Shreeve","The first crystal and molecular structures of hydrated bis(n-perfluoroalkyl)phosphinic acids [H3O]+[(Rf)2PO2]− (Rf = C6F13, C7F15 or C8F17)","J. Chem. Soc., Dalton Trans.","2000","","22","4089","4092","10.1039/b004482m","","","0.71073","MoKα","","0.1114","0.08","","","0.1669","0.1861","","","","","","1.102","","","","has coordinates","179803","2020-10-21","18:00:00",""
"7009980","34.835","0.007","9.135","0.008","12.305","0.005","90","","90","","90","","3916","4","299.2","","299.2","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H42 Cl2 O6 P Rh -","- C39 H41 Cl2 O6 P Rh -","- C156 H164 Cl8 O24 P4 Rh4 -","4","1","","Yamamoto, Yasuhiro; Sugawara, Kenichiro","Novel insertion of ethynylbenzene derivatives bearing an electron-withdrawing substituent at the 4-position into a P‒C bond and their transannular insertion between a metal atom and an ipso-carbon atom of the phosphine ligand †","Journal of the Chemical Society, Dalton Transactions","2000","","17","2896","","10.1039/b004984k","","","0.7107","MoKα","","","0.0588","","","0.0762","","","","","1.853","1.853","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010337","24.39","0.01","13.33","0.004","22.563","0.01","90","0.03","90","0.06","90","0.03","7336","5","293","2","293","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C24 H44 B Cl2 F6 N9 O1.5 P2 Rh -","- C24 H44 B Cl2 F6 N9 O1.5 P2 Rh -","- C192 H352 B8 Cl16 F48 N72 O12 P16 Rh8 -","8","2","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.2888","0.1447","","","0.2981","0.3938","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010487","13.5778","0.0004","9.4149","0.0001","17.8842","0.0004","90","","90","","90","","2286.2","0.09","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H22 Cu2 N6 O16 S2 -","- C12 H22 Cu2 N6 O16 S2 -","- C48 H88 Cu8 N24 O64 S8 -","4","1","","Grove, Hilde; Sletten, Jorunn; Julve, Miguel; Lloret, Francesc","Syntheses, crystal structures and magnetic properties of polynuclear 1,4,5,8,9,12-hexaazatriphenylene (hat)-bridged copper(II) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","7","1029","","10.1039/b009647o","","","0.71073","MoKα","","0.0685","0.0427","","0.0772","0.0698","","","","1.042","1.078","1.078","","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7011215","15.2545","0.0013","11.3123","0.0009","20.6784","0.0017","90","","90","","90","","3568.3","0.5","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H34 Cl Cu N4 O4 P2 -","- C36 H34 Cl Cu N4 O4 P2 -","- C144 H136 Cl4 Cu4 N16 O16 P8 -","4","1","","Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak","Synthesis and structural study of late transition metal complexes of N-[(diphenylphosphino)methyl]-2-pyridinamine and N-cyclohexyl-N-[(diphenylphosphino)methyl]-2-pyridinamine","J. Chem. Soc., Dalton Trans.","2002","","7","1336","1343","10.1039/b109191n","","","0.71073","MoKα","","0.0417","0.0297","","","0.063","0.0669","","","","","","0.944","","","","has coordinates","179816","2020-10-21","18:00:00",""
"7011323","24.32","0.003","10.831","0.0016","19.546","0.002","90","","90","","90","","5148.6","1.1","153","2","153","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39.5 H65 Cl2 N8 Ni2 O14 -","- C39.5 H64 Cl2 N8 Ni2 O14 -","- C158 H256 Cl8 N32 Ni8 O56 -","4","1","","Yann Dussart; Charlie Harding; Pia Dalgaard; Christine McKenzie; Renuka Kadirvelraj; Vickie McKee; Jane Nelson","Cascade chemistry in azacryptand cages: bridging carbonates and methylcarbonates","J. Chem. Soc., Dalton Trans.","2002","","8","1704","1713","10.1039/b110449g","","","0.71073","MoKα","","0.0994","0.0592","","","0.1255","0.1461","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7011329","18.3169","0.0007","11.5723","0.0005","17.6072","0.0007","90","","90","","90","","3732.2","0.3","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Al(maltolate)3.0.5H2O","","","- C18 H16 Al O9.5 -","- C18 H16 Al O9.5 -","- C144 H128 Al8 O76 -","8","2","","Yu, Ping; Phillips, Brian L.; Olmstead, Marilyn M.; Casey, William H.","Rates of solvent exchange in aqueous aluminium(iii)‒maltolate complexes","Journal of the Chemical Society, Dalton Transactions","2002","","10","2119","","10.1039/b110457h","","","0.71073","MoKα","","0.082","0.047","","","0.102","0.114","","","","","","0.94","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011477","20.7045","0.0006","11.9894","0.0003","32.9397","0.0005","90","","90","","90","","8176.8","0.3","173","2","173","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","[{Au(C(SiMe3)2(SiMe2C5H4N)}2]","","","- C26 H56 Au2 N2 Si6 -","- C26.6364 H53.2728 Au2 N1.9026 Si5.7078 -","- C213.091 H426.182 Au16 N15.2208 Si45.6624 -","8","2","","Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Smith, J. David","Synthesis and structures of compounds of Groups 11 and 12 containing the ligand C(SiMe3)2(SiMe2C5H4N-2)","Journal of the Chemical Society, Dalton Transactions","2002","","12","2467","","10.1039/b200473a","","x-ray","0.71073","MoKα","","0.0836","0.0758","","","0.1764","0.1809","","","","","","1.13","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7011600","23.983","0.0002","8.824","0.0006","22.029","0.0004","90","","90","","90","","4661.9","0.3","122","1","122","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","(LAMBDA-S,DELTA-R)-[(en)2Co{O2CCH(CH(CO2Et)2)NH2}](ClO)2","","- C13 H30 Cl2 Co N5 O14 -","- C13 H30 Cl2 Co N5 O14 -","- C104 H240 Cl16 Co8 N40 O112 -","8","2","","Bendahl, Lars; Hammershøi, Anders; Jensen, Dan Kjærgaard; Larsen, Sine; Riisager, Anders; Sargeson, Alan M.; Sørensen, Henning Osholm","Metal complex amino acid synthons: syntheses, structures and stereoselective reactions of (iminoacetato)cobalt(iii) complexes","Journal of the Chemical Society, Dalton Transactions","2002","","15","3054","","10.1039/b202090d","","","0.71073","MoKα","","0.0519","0.0403","","","0.093","0.1011","","","","","","1.013","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011628","18.2421","0.0006","12.3496","0.0006","12.3712","0.001","90","","90","","90","","2787","0.3","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H42 B O P -","- C30 H42 B O P -","- C120 H168 B4 O4 P4 -","4","1","","Rivard, Eric; Lough, Alan J.; Manners, Ian","Synthesis, characterization and thermolysis of phosphinite‒borane adducts: investigation of an unusual thermally-induced phenol elimination reaction","Journal of the Chemical Society, Dalton Transactions","2002","","15","2966","","10.1039/b202361j","","","0.71073","MoKα","","0.1309","0.0592","","","0.1035","0.1234","","","","","","0.974","","","","has coordinates","209453","2020-10-21","18:00:00",""
"7011747","12.7027","0.0015","13.0934","0.0015","12.7027","0.0014","90","","90","","90","","2112.7","0.4","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H30 Al Cl2 N Sn3 -","- C10 H30 Al Cl2 N Sn3 -","- C40 H120 Al4 Cl8 N4 Sn12 -","4","1","","Q. m. Cheng; O. Stark; K. Merz; M. Winter; R. A. Fischer","Lewis base properties of tris(trimethylstannyl)amine: unusually short M‒N bonds of the adduct compounds [X3M·N(SnMe3)3] (X = Cl, Br; M = Al, Ga, In) and [Cl2(CH3)M·N(SnMe3)3] (M = Al, Ga)","J. Chem. Soc., Dalton Trans.","2002","","14","2933","2936","10.1039/b203489c","","","0.71073","MoKα","","0.0395","0.0384","","","0.1046","0.1054","","","","","","1.041","","","","has coordinates","179821","2020-10-21","18:00:00",""
"7011748","12.719","0.003","13.047","0.003","12.719","0.003","90","","90","","90","","2110.7","0.9","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H30 Cl2 Ga N Sn3 -","- C10 H30 Cl2 Ga N Sn3 -","- C40 H120 Cl8 Ga4 N4 Sn12 -","4","1","","Q. m. Cheng; O. Stark; K. Merz; M. Winter; R. A. Fischer","Lewis base properties of tris(trimethylstannyl)amine: unusually short M‒N bonds of the adduct compounds [X3M·N(SnMe3)3] (X = Cl, Br; M = Al, Ga, In) and [Cl2(CH3)M·N(SnMe3)3] (M = Al, Ga)","J. Chem. Soc., Dalton Trans.","2002","","14","2933","2936","10.1039/b203489c","","","0.71073","MoKα","","0.0748","0.0691","","","0.1869","0.1909","","","","","","1.072","","","","has coordinates","179821","2020-10-21","18:00:00",""
"7011749","12.657","0.0013","13.0934","0.0013","12.6714","0.0013","90","","90","","90","","2099.9","0.4","183","2","183","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H27 Cl3 Ga N Sn3 -","- C9 H27 Cl3 Ga N Sn3 -","- C36 H108 Cl12 Ga4 N4 Sn12 -","4","1","","Q. m. Cheng; O. Stark; K. Merz; M. Winter; R. A. Fischer","Lewis base properties of tris(trimethylstannyl)amine: unusually short M‒N bonds of the adduct compounds [X3M·N(SnMe3)3] (X = Cl, Br; M = Al, Ga, In) and [Cl2(CH3)M·N(SnMe3)3] (M = Al, Ga)","J. Chem. Soc., Dalton Trans.","2002","","14","2933","2936","10.1039/b203489c","","","0.71073","MoKα","","0.0427","0.0412","","","0.0981","0.1001","","","","","","1.061","","","","has coordinates,has disorder","179821","2020-10-21","18:00:00",""
"7011751","12.6514","0.0015","13.0879","0.0016","12.6514","0.0016","90","","90","","90","","2094.8","0.4","203","2","203","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C9 H27 Al Cl3 N Si0 Sn3 -","- C9 H27 Al Cl3 N Sn3 -","- C36 H108 Al4 Cl12 N4 Sn12 -","4","1","","Q. m. Cheng; O. Stark; K. Merz; M. Winter; R. A. Fischer","Lewis base properties of tris(trimethylstannyl)amine: unusually short M‒N bonds of the adduct compounds [X3M·N(SnMe3)3] (X = Cl, Br; M = Al, Ga, In) and [Cl2(CH3)M·N(SnMe3)3] (M = Al, Ga)","J. Chem. Soc., Dalton Trans.","2002","","14","2933","2936","10.1039/b203489c","","","0.71073","MoKα","","0.0591","0.0558","","","0.1597","0.1687","","","","","","0.962","","","","has coordinates","179821","2020-10-21","18:00:00",""
"7011935","16.375","0.003","8.379","0.0017","13.418","0.004","90","","90","","90","","1841","0.7","163","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C8 H21 Cl5 Co N5 O Zn -","- C8 H21 Cl5 Co N5 O Zn -","- C32 H84 Cl20 Co4 N20 O4 Zn4 -","4","1","","Otter, Carl A.; Hartshorn, Richard M.","Polydentate ligand construction: preparation of oxime???imine complexes via intramolecular condensation reactions","Journal of the Chemical Society, Dalton Transactions","2002","","22","4193","","10.1039/b205956h","","","0.71073","MoKα","","0.0176","0.0173","","","0.044","0.0441","","","","","","1.084","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7012054","11.844","0.002","11.01","0.002","22.643","0.005","90","","90","","90","","2952.7","1","296","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- Al H28 La Mo6 O35 -","- Al La Mo6 O35 -","- Al4 La4 Mo24 O140 -","4","1","","Shivaiah, Vaddypally; Narasimha Reddy, Puram V.; Cronin, Leroy; Das, Samar K.","A novel polyoxometalate chain formed from heteropolyanion building blocks and rare earth metal ion linkers: [La(H2O)7Al(OH)6Mo6O18]n??4nH2OElectronic supplementary information (ESI) available: representations of the structure of 1 with the atom numbering scheme and hydrogen bonding interactions shown and a list of relevant hydrogen bonding distances. See http://www.rsc.org/suppdata/dt/b2/b207149e/","Journal of the Chemical Society, Dalton Transactions","2002","","20","3781","","10.1039/b207149e","","","1.5418","CuKα","","0.0342","0.0329","","","0.0858","0.0867","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012127","23.92","0.005","11.8","0.002","7.74","0.0015","90","","90","","90","","2184.7","0.7","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H20 Au3 Cl2.22 N6 -","- C15 H20 Au3 Cl2.22 N6 -","- C60 H80 Au12 Cl8.88 N24 -","4","1","","Yang, Guang; Raptis, Raphael G.","Oxidation of gold(i) pyrazolates by aqua regia. X-Ray crystal structures of the first examples of trinuclear AuIII3 and AuIAuIII2 pyrazolato complexes","Journal of the Chemical Society, Dalton Transactions","2002","","21","3936","","10.1039/b207600d","","","0.71073","MoKα","","0.048","0.0442","","","0.1079","0.1099","","","","","","1.046","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012147","17.7043","0.0018","25.492","0.003","28.138","0.003","90","","90","","90","","12699","2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[Cu18(hfac)10(hexynyl)8]","","","- C98 H82 Cu18 F60 O20 -","- C98 H82 Cu18 F60 O20 -","- C392 H328 Cu72 F240 O80 -","4","1","","Higgs, Timothy C.; Parsons, Simon; Jones, Anita C.; Bailey, Philip J.; Tasker, Peter A.","[Cu18(hfac)10(C???CC4Hn9)8]; Crystal structure of a novel luminescent cage compound with a ???triple copper sheet??? structural motif","Journal of the Chemical Society, Dalton Transactions","2002","","18","3427","","10.1039/b207932c","","","0.71073","MoKα","","0.0624","0.0446","","","0.1016","0.1081","","","","","","0.945","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7012528","36.162","0.002","20.3647","0.0008","11.906","0.0004","90","","90","","90","","8767.9","0.7","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26 H43 B F4 N5 Ni O -","- C26 H43 B F4 N5 Ni O -","- C312 H516 B12 F48 N60 Ni12 O12 -","12","3","","Sik Min, Kil; Weyhermüller, Thomas; Wieghardt, Karl","O,N-Coordinated o-iminobenzoquinone and o-iminobenzosemiquinonato(1‒) ligands in complexes of Ni(ii), Co(iii) and Fe(iii)","Dalton Transactions","2003","","6","1126","","10.1039/b211698g","","","0.71073","MoKα","","0.0633","0.0431","","","0.0768","0.0839","","","","","","1.053","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012821","17.7319","0.0003","16.9873","0.0003","31.0061","0.0005","90","","90","","90","","9339.6","0.3","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C60 H45 Ge K O3 -","- C60 H45 Ge K O3 -","- C480 H360 Ge8 K8 O24 -","8","2","","Weinert, Charles S.; Fanwick, Phillip E.; Rothwell, Ian P.","Synthesis and structures of the group 1 metal/germanium cage complexes [M(µ-OC6H3Ph2-2,6)3Ge] (M = Li, Na, K, Rb, Cs); periodic trends and alkali metal dependent arene bonding","Dalton Transactions","2003","","9","1795","","10.1039/b301623d","","","0.71073","MO-Kα","","","0.038","","","","0.078","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013320","16.086","0.002","11.236","0.002","16.069","0.003","90","","90","","90","","2904.3","0.8","203","2","203","2","","","","","","","synthesis as described","3","P c a 21","P 2c -2ac","29","","","","- C31 H50 N2 -","- C31 H50 N2 -","- C124 H200 N8 -","4","1","","Carey, David T.; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.; Woods, Rebecca J.","Borane and alane reductions of bulky N,N?-diaryl-1,3-diimines: structural characterization of products and intermediates in the diastereoselective synthesis of 1,3-diaminesElectronic supplementary information (ESI) available: preparative and characterization details; substructure of 5. See http://www.rsc.org/suppdata/dt/b3/b306401h/","Dalton Transactions","2003","","19","3792","","10.1039/b306401h","","x-ray","0.71073","MoKα","","0.0896","0.0531","","","0.1121","0.1281","","","","","","1.028","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013917","14.584","0.001","12.3369","0.0009","24.899","0.002","90","","90","","90","","4479.9","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H46 Au2 Br2 N10 -","- C48 H46 Au2 Br2 N10 -","- C192 H184 Au8 Br8 N40 -","4","1","","Maspoch, D.; Ruiz-Molina, D; Wurst, K.; Vidal-Gancedo, J; Rovira, C.; Veciana, J.","Synthesis, structural and magnetic properties of a series of copper(II) complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1073","1082","10.1039/b316458f","","","0.71073","MoKα","","0.05","0.032","","0.031","","0.029","","","0.957","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013969","14.584","0.001","12.3369","0.0009","24.899","0.002","90","","90","","90","","4479.9","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H46 Au2 Br2 N10 -","- C48 H46 Au2 Br2 N10 -","- C192 H184 Au8 Br8 N40 -","4","1","","Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H.","Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1038","1047","10.1039/b316804b","","","0.71073","MoKα","","0.05","0.032","","0.031","","0.029","","","0.957","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014143","22.921","0.0001","8.874","0.0001","8.715","0.0003","90","","90","","90","","1772.64","0.06","143","2","143","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cl2 N P S3 -","- C14 H12 Cl2 N P S3 -","- C56 H48 Cl8 N4 P4 S12 -","4","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0293","0.0288","","","0.0742","0.0751","","","","","","1.05","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014157","16.0347","0.0013","8.5889","0.0007","13.5053","0.0008","90","","90","","90","","1860","0.2","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H18 N3 O Rh S3 -","- C13 H18 N3 O Rh S3 -","- C52 H72 N12 O4 Rh4 S12 -","4","1","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.0244","0.0224","","","0.0575","0.0589","","","","","","1.064","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014234","17.184","0.0001","29.2773","0.0002","17.1747","0.0001","90","","90","","90","","8640.61","0.09","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H46 K N12 O15 Ru2 Yb -","- C28 H34 K N12 O15 Ru2 Yb -","- C224 H272 K8 N96 O120 Ru16 Yb8 -","8","2","","Miller, Thomas A.; Jeffery, John C.; Ward, Michael D.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen","Photoinduced Ru-Yb energy transfer and sensitised near-IR luminescence in a coordination polymer containing co-crystallised [Ru(bipy)(CN)4]2- and Yb(III) units.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1524","1526","10.1039/b404820b","","","1.54178","CuKα","","0.027","0.0259","","","0.0639","0.0649","","","","","","1.069","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014608","19.664","0.005","8.982","0.002","19.389","0.005","90","","90","","90","","3424.5","1.5","208","2","208","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H5 Co2 F Mo O8 -","- C14 H5 Co2 F Mo O8 -","- C112 H40 Co16 F8 Mo8 O64 -","8","2","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","47","55","10.1039/c0dt01006e","","","0.71073","MoKα","","0.0339","0.0319","","","0.0731","0.0742","","","","","","1.02","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014646","17.3264","0.0005","8.534","0.0002","12.7851","0.0004","90","","90","","90","","1890.45","0.09","298.1","","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H23 O4 Rh S2 -","- C17 H23 O4 Rh S2 -","- C68 H92 O16 Rh4 S8 -","4","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0293","","","","0.0847","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014648","17.709","0.0009","8.4437","0.0004","12.3013","0.0005","90","","90","","90","","1839.41","0.15","298.1","","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H21 O4 Rh S2 -","- C16 H21 O4 Rh S2 -","- C64 H84 O16 Rh4 S8 -","4","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0366","","","","0.0968","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014856","15.997","0.003","14.451","0.004","33.798","0.007","90","","90","","90","","7813","3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36.25 H56.5 Mn N5 O7.75 -","- C34 H52 Mn N5 O7 -","- C272 H416 Mn8 N40 O56 -","8","2","","Gandolfi, Claudio; Cotting, Tatiana; Martinho, Paulo N.; Sereda, Olha; Neels, Antonia; Morgan, Grace G.; Albrecht, Martin","Synthesis and self-assembly of spin-labile and redox-active manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1855","1865","10.1039/c0dt01222j","","","0.71073","MoKα","","0.1395","0.0528","","","0.0939","0.1102","","","","","","0.621","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014929","18.2265","0.0003","9.9967","0.0002","19.4434","0.0004","90","","90","","90","","3542.68","0.12","123","1","123","1","","","","","","","","7","P c a 21","P 2c -2ac","29","(Yb(ttfpz)2(thf)4)","[Yb(ttfpz)2(thf)4]","","- C32 H40 F6 N4 O4 S2 Yb -","- C32 H40 F6 N4 O4 S2 Yb -","- C128 H160 F24 N16 O16 S8 Yb4 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.0265","0.0246","","","0.0583","0.0594","","","","","","1.068","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014930","18.1794","0.0003","9.9826","0.0002","19.4586","0.0004","90","","90","","90","","3531.3","0.12","123","1","123","1","","","","","","","","7","P c a 21","P 2c -2ac","29","(Ca(ttfpz)2(thf)4)","[Ca(ttfpz)2(thf)4]","","- C32 H40 Ca F6 N4 O4 S2 -","- C32.004 H40 Ca F6 N4 O4 S2 -","- C128.016 H160 Ca4 F24 N16 O16 S8 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.1035","0.0726","","","0.1452","0.1584","","","","","","1.051","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014931","18.4622","0.0003","10.0965","0.0002","19.3001","0.0004","90","","90","","90","","3597.61","0.12","123","1","123","1","","","","","","","","7","P c a 21","P 2c -2ac","29","(Sr(ttfpz)2(thf)4)","[Sr(ttfpz)2(thf)4]","","- C32 H40 F6 N4 O4 S2 Sr -","- C32 H40 F6 N4 O4 S2 Sr -","- C128 H160 F24 N16 O16 S8 Sr4 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.0389","0.029","","","0.0647","0.0681","","","","","","1.029","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014932","18.766","0.0003","10.2146","0.0002","19.262","0.0004","90","","90","","90","","3692.28","0.12","123","1","123","1","","","","","","","","7","P c a 21","P 2c -2ac","29","(Ba(ttfpz)2(thf)4)","[Ba(ttfpz)2(thf)4]","","- C32 H40 Ba F6 N4 O4 S2 -","- C32 H40 Ba F6 N4 O4 S2 -","- C128 H160 Ba4 F24 N16 O16 S8 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.0365","0.0339","","","0.0958","0.0986","","","","","","1.052","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7015247","16.4087","0.0006","10.9231","0.0007","13.3642","0.0008","90","","90","","90","","2395.3","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H36 I2 N4 O2 -","- C20 H36 I2 N4 O2 -","- C80 H144 I8 N16 O8 -","4","1","","Silversides, Jon D.; Smith, Rachel; Archibald, Stephen J.","Challenges in chelating positron emitting copper isotopes: tailored synthesis of unsymmetric chelators to form ultra stable complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6289","6297","10.1039/c0dt01395a","","","0.71073","MoKα","","0.063","0.0496","","","0.1273","0.1373","","","","","","1.061","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015249","15.571","0.002","9.7171","0.0009","16.678","0.002","90","","90","","90","","2523.5","0.5","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H36 Cl2 Cu N4 O9 -","- C20 H36 Cl2 Cu N4 O9 -","- C80 H144 Cl8 Cu4 N16 O36 -","4","1","","Silversides, Jon D.; Smith, Rachel; Archibald, Stephen J.","Challenges in chelating positron emitting copper isotopes: tailored synthesis of unsymmetric chelators to form ultra stable complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6289","6297","10.1039/c0dt01395a","","","0.71073","MoKα","","0.1941","0.0453","","","0.0873","0.1152","","","","","","0.716","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015631","17.8791","0.0002","6.7986","0.0006","8.3581","0.0003","90","","90","","90","","1015.95","0.1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H9 I2 N3 Pt -","- C5 H9 I2 N3 Pt -","- C20 H36 I8 N12 Pt4 -","4","1","","Francisco, Carla; Gama, Sofia; Mendes, Filipa; Marques, Fernanda; Cordeiro Dos Santos, Isabel; Paulo, António; Santos, Isabel; Coimbra, Joana; Gabano, Elisabetta; Ravera, Mauro","Pt(ii) complexes with bidentate and tridentate pyrazolyl-containing chelators: synthesis, structural characterization and biological studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5781","5792","10.1039/c0dt01785j","","","0.71073","MoKα","","0.0277","0.0269","","","0.0648","0.0652","","","","","","0.989","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015632","16.7647","0.0008","6.2596","0.0003","8.2202","0.0004","90","","90","","90","","862.63","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H9 Cl2 N3 Pt -","- C5 H9 Cl2 N3 Pt -","- C20 H36 Cl8 N12 Pt4 -","4","1","","Francisco, Carla; Gama, Sofia; Mendes, Filipa; Marques, Fernanda; Cordeiro Dos Santos, Isabel; Paulo, António; Santos, Isabel; Coimbra, Joana; Gabano, Elisabetta; Ravera, Mauro","Pt(ii) complexes with bidentate and tridentate pyrazolyl-containing chelators: synthesis, structural characterization and biological studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5781","5792","10.1039/c0dt01785j","","","0.71073","MoKα","","0.0215","0.0195","","","0.0417","0.0424","","","","","","0.98","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015738","43.2","0.009","11.7","0.002","10.682","0.002","90","","90","","90","","5399.1","1.8","223","","223","","","","","","","","","6","P c a 21","P 2c -2ac","29","[Fe(TiPrP)(2-MeBzIm)2]ClO4","[(5,10,15,20-tetraisopropylporphyrinato)iron(III) (2-methylbenzimidazole)2]perchlorate","","- C50 H54 Cl7 Fe N8 O4 -","- C50 H54 Cl7 Fe N8 O4 -","- C200 H216 Cl28 Fe4 N32 O16 -","4","1","","Ikezaki, Akira; Nakamura, Mikio","Formation and characterization of a six-coordinate iron(III) complex with the most ruffled porphyrin ring.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3455","3458","10.1039/c1dt10042d","","","0.71073","MoKα","","0.1042","0.0641","","","0.1307","0.1487","","","","","","0.916","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015877","11.5195","0.0006","6.2653","0.0003","19.3532","0.0009","90","","90","","90","","1396.78","0.12","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(2-(dimethylammonio)ethyl)-1,1-dimethylpiperazinium chloride","","- C10 H25 Cl2 N3 -","- C10 H25 Cl2 N3 -","- C40 H100 Cl8 N12 -","4","1","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.053","0.0459","","","0.124","0.1311","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016139","25.664","0.005","11.194","0.002","7.1808","0.0014","90","","90","","90","","2062.9","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H26 O3 P2 -","- C22 H26 O3 P2 -","- C88 H104 O12 P8 -","4","1","","Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7137","7146","10.1039/c1dt10335k","","","0.71073","MoKα","","0.0357","0.0339","","","0.0825","0.0834","","","","","","1.086","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016371","11.0611","0.0006","18.2383","0.001","7.349","0.0004","90","","90","","90","","1482.56","0.14","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H12 N6 -","- C18 H12 N6 -","- C72 H48 N24 -","4","1","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.028","0.0271","","","0.08","0.0839","","","","","","0.879","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016427","13.8197","0.0003","8.63181","0.00009","13.40706","0.00008","90","","90","","90","","1599.32","0.04","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H19 Cl4 N2 Nb -","- C12 H19 Cl4 N2 Nb -","- C48 H76 Cl16 N8 Nb4 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8887","8895","10.1039/c1dt10482a","","","0.71073","MoKα","","0.0157","0.0134","","","0.0314","0.032","","","","","","1.061","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016643","12.3828","0.0002","8.3185","0.0002","9.8806","0.0003","90","","90","","90","","1017.76","0.04","150","1","150","1","","","","","","","synthesized by the authors","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C24 H64 Br8 N8 O4 -","4","1","","Drahoš, Bohuslav; Pniok, Miroslav; Havlíčková, Jana; Kotek, Jan; Císařová, Ivana; Hermann, Petr; Lukeš, Ivan; Tóth, Eva","Mn(2+) complexes of 1-oxa-4,7-diazacyclononane based ligands with acetic, phosphonic and phosphinic acid pendant arms: Stability and relaxation studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10131","10146","10.1039/c1dt10543d","","","0.71073","MoKα","","0.0241","0.0216","","","0.0456","0.0463","","","","","","1.055","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016691","15.647","","12.136","","14.337","","90","","90","","90","","2722.48","","124","2","124","2","","","","","","","","7","P c a 21","P 2c -2ac","29","(HNP2NiNCCH3)(BF4)2","","","- C18 H40 B2 F8 N2 Ni P2 -","- C18 H40 B2 F8 N2 Ni P2 -","- C72 H160 B8 F32 N8 Ni4 P8 -","4","1","","Rozenel, Sergio S.; Kerr, John B.; Arnold, John","Metal complexes of Co, Ni and Cu with the pincer ligand HN(CH(2)CH(2)P(i)Pr(2))(2): preparation, characterization and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10397","10405","10.1039/c1dt10599j","","","0.71073","MoKα","","0.029","0.0266","","","0.0699","0.0716","","","","","","1.049","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016708","16.954","0.009","8.904","0.005","17.198","0.008","90","","90","","90","","2596","2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H30 Cl Co N5 O S -","- C28 H30 Cl Co N5 O S -","- C112 H120 Cl4 Co4 N20 O4 S4 -","4","1","","Kruck, Matthias; Sauer, Désirée C; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Bis(2-pyridylimino)isoindolato iron(ii) and cobalt(ii) complexes: Structural chemistry and paramagnetic NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10406","10415","10.1039/c1dt10617a","","x-ray","0.71073","MoKα","","0.0571","0.0388","","","0.0672","0.0725","","","","","","1.037","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7017015","16.017","0.001","8.561","0.001","22.982","0.001","90","","90","","90","","3151.3","0.4","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H38 N2 O4 -","- C38 H38 N2 O4 -","- C152 H152 N8 O16 -","4","1","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.71073","MoKα","","0.0523","0.0451","","","0.1196","0.1251","","","","","","1.101","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017112","9.8678","0.0003","14.394","0.0005","16.6338","0.0006","90","","90","","90","","2362.62","0.14","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C8 H26 F Ge6 N4 Nb O16 -","- C8 H26 F Ge6 N4 Nb O16 -","- C32 H104 F4 Ge24 N16 Nb4 O64 -","4","1","","Nguyen, Quang Bac; Lii, Kwang-Hwa","Organically templated metal germanate: Ionothermal synthesis of (C(8)H(24)N(4))[NbOGe(6)O(13)(OH)(2)F].","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10830","10832","10.1039/c1dt11452b","","","0.71073","MoKα","","0.0226","0.0208","","","0.0498","0.0503","","","","","","1.018","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017497","18.9854","0.0016","10.9239","0.0009","40.018","0.007","90","","90","","90","","8299.5","1.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36.5 H28 Cl5 F10 Ir N7 P -","- C36.5 H28 Cl5 F10 Ir N7 P -","- C292 H224 Cl40 F80 Ir8 N56 P8 -","8","2","","Kessler, Florian; Costa, Rubén D; Di Censo, Davide; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Meier, Sebastian; Sarfert, Wiebke; Grätzel, Michael; Nazeeruddin, Md Khaja; Baranoff, Etienne","Near-UV to red-emitting charged bis-cyclometallated iridium(III) complexes for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","180","191","10.1039/c1dt10698h","","","0.71073","MoKα","","0.0436","0.039","","","0.087","0.0893","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017581","16.4429","0.0005","16.6293","0.0005","17.4316","0.0006","90","","90","","90","","4766.4","0.3","150","2","150","2","","","","","","","toluene","5","P c a 21","P 2c -2ac","29","(GaBr3(IMes))","","","- C21 H23 Br3 Ga N2 -","- C21 H24 Br3 Ga N2 -","- C168 H192 Br24 Ga8 N16 -","8","2","","Ball, Graham E.; Cole, Marcus L.; McKay, Alasdair I.","Low valent and hydride complexes of NHC coordinated gallium and indium.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","946","952","10.1039/c1dt11202c","","x-ray","0.71073","MoKα","","0.1993","0.0595","","","0.0909","0.1201","","","","","","0.967","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7018104","22.147","0.0015","5.221","0.004","15.829","0.007","90","","90","","90","","1830.3","1.6","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H18 Se2 -","- C24 H18 Se2 -","- C96 H72 Se8 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0406","","","","0.0943","","","","","","0.765","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018107","22.326","0.003","5.272","0.01","15.64","0.014","90","","90","","90","","1841","4","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H18 S Te -","- C24 H18 S Te -","- C96 H72 S4 Te4 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0409","","","","0.0985","","","","","","1.084","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018554","31.0722","0.0011","9.7664","0.0004","19.8728","0.0007","90","","90","","90","","6030.7","0.4","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60 H76 Ag F3 N3 O3 S -","- C60 H76 Ag F3 N3 O3 S -","- C240 H304 Ag4 F12 N12 O12 S4 -","4","1","","Jurca, Titel; Ouanounou, Sarah; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","The interplay of metal and supporting ligand in labile coordination to pincer complexes of Ag(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4765","4771","10.1039/c2dt12112c","","","0.71073","MoKα","","0.0538","0.0452","","","0.1207","0.1277","","","","","","1.024","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018838","21.4333","0.0005","5.6449","0.0001","12.6506","0.0003","90","","90","","90","","1530.58","0.06","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Trans-bis[(2H-phenylazirine)dichlorido]palladium(II)","","- C16 H14 Cl2 N2 Pd -","- C16 H14 Cl2 N2 Pd -","- C64 H56 Cl8 N8 Pd4 -","4","1","","Budzisz, E.; Bobka, R.; Hauss, A.; Roedel, J. N.; Wirth, S.; Lorenz, I.-P.; Rozalska, B.; Więckowska-Szakiel, M.; Krajewska, U.; Rozalski, M.","Synthesis, structural characterization, antimicrobial and cytotoxic effects of aziridine, 2-aminoethylaziridine and azirine complexes of copper(ii) and palladium(ii)","Dalton Transactions","2012","41","19","5925","","10.1039/c2dt12107g","","x-ray","0.71073","MoKα","","0.0473","0.0322","","","0.073","0.0808","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018902","12.67","0.002","9.8957","0.0017","17.469","0.003","90","","90","","90","","2190.2","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H5 Mo5 O23 Rb3 Se2 -","- H4 Mo5 O23 Rb3 Se2 -","- H16 Mo20 O92 Rb12 Se8 -","4","1","","Kong, Fang; Hu, Chun-Li; Xu, Xiang; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and SHG properties of a series of polar alkali-metal molybdenum(vi) selenites based on strandberg-type [Mo(5)O(15)(SeO(3))(2)](4-) polyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5687","5695","10.1039/c2dt12437h","","","0.71073","MoKα","","0.0496","0.0433","","","0.0955","0.0976","","","","","","1.044","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7019100","15.5779","0.001","11.6168","0.0007","30.984","0.002","90","","90","","90","","5607","0.6","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26.5 H34 Cl2 N3 O3.5 S Zn -","- C26.5 H33.5 Cl2 N3 O3.5 S Zn -","- C212 H268 Cl16 N24 O28 S8 Zn8 -","8","2","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.0473","0.0431","","","0.1087","0.1114","","","","","","1.039","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019552","19.0917","0.0014","7.7213","0.0006","17.8169","0.0013","90","","90","","90","","2626.4","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cu(Mes_pic)2","bis-(6-mesityl-2-picolinate) copper(II)","","- C30 H28 Cu N2 O4 -","- C30 H28 Cu N2 O4 -","- C120 H112 Cu4 N8 O16 -","4","1","","Smith, Patrick W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Coordination and structural properties of encumbering 6-mesityl-2-picolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8031","8038","10.1039/c2dt30585b","","","0.71073","MoKα","","0.0348","0.0294","","","0.0688","0.0725","","","","","","1.035","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019607","11.0809","0.0013","15.5306","0.0018","16.1226","0.0019","90","","90","","90","","2774.6","0.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H24 F6 Ir N4 P -","- C28 H24 F6 Ir N4 P -","- C112 H96 F24 Ir4 N16 P4 -","4","1","","Mastropietro, Teresa F.; Yadav, Yogesh J.; Szerb, Elisabeta I.; Talarico, Anna Maria; Ghedini, Mauro; Crispini, Alessandra","Luminescence mechanochromism in cyclometallated Ir(iii) complexes containing picolylamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8899","8907","10.1039/c2dt30699a","","","0.71073","MoKα","","0.0289","0.0261","","","0.0751","0.0855","","","","","","1.17","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019608","11.0556","0.001","15.2516","0.0015","15.3882","0.0014","90","","90","","90","","2594.7","0.4","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H24 Cl Ir N4 O4 -","- C28 H24 Cl Ir N4 O4 -","- C112 H96 Cl4 Ir4 N16 O16 -","4","1","","Mastropietro, Teresa F.; Yadav, Yogesh J.; Szerb, Elisabeta I.; Talarico, Anna Maria; Ghedini, Mauro; Crispini, Alessandra","Luminescence mechanochromism in cyclometallated Ir(iii) complexes containing picolylamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8899","8907","10.1039/c2dt30699a","","","0.71073","MoKα","","0.0214","0.0184","","","0.0474","0.0533","","","","","","1.215","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019614","21.7613","0.001","12.3586","0.0008","18.5174","0.0009","90","","90","","90","","4980.1","0.5","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[(NONO)2Zn6I]","","","- C38 H69 I N4 O7 Zn6 -","- C38 H69 I N4 O7 Zn6 -","- C152 H276 I4 N16 O28 Zn24 -","4","1","","Richards, Anne F.; Aprile, Antonino; Hogan, Conor F.","A 1D Schiff base zinc polymer as a versatile metallo-ligand for the synthesis of polynuclear zinc cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8361","8367","10.1039/c2dt30715d","","","0.71073","MoKα","","0.0818","0.0659","","","0.1532","0.1637","","","","","","1.095","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019875","25.795","0.007","4.4057","0.0012","16.118","0.004","90","","90","","90","","1831.7","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H25 N5 O2 -","- C16 H21 N5 O2 -","- C64 H84 N20 O8 -","4","1","","Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan","Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9503","9512","10.1039/c2dt30816a","","","0.71073","MoKα","","0.1565","0.0553","","","0.1147","0.1627","","","","","","1.005","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7020034","16.8753","0.0014","8.0175","0.0007","11.2187","0.0009","90","","90","","90","","1517.9","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N5 O5 -","- C15 H13 N5 O5 -","- C60 H52 N20 O20 -","4","1","","Chen, Xiao-Chun; Tao, Tao; Wang, Yin-Ge; Peng, Yu-Xin; Huang, Wei; Qian, Hui-Fen","Azo-hydrazone tautomerism observed from UV-vis spectra by pH control and metal-ion complexation for two heterocyclic disperse yellow dyes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11107","11115","10.1039/c2dt31102j","","","0.71073","MoKα","","0.0646","0.0446","","","0.0945","0.0995","","","","","","0.894","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020316","20.6064","0.0016","6.1496","0.0003","28.352","0.002","90","","90","","90","","3592.8","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H29 N O2 -","- C19 H29 N O2 -","- C152 H232 N8 O16 -","8","2","","Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11980","11983","10.1039/c2dt31220d","","","0.71073","MoKα","","0.0702","0.0557","","","0.1227","0.1294","","","","","","1.108","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020601","26.532","0.003","8.419","0.0011","16.576","0.002","90","","90","","90","","3702.6","0.8","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl Ir O3 -","- C20 H20 Cl Ir O3 -","- C160 H160 Cl8 Ir8 O24 -","8","2","","Lucas, Stephanie J.; Lord, Rianne M.; Wilson, Rachel L.; Phillips, Roger M.; Sridharan, Visuvanathar; McGowan, Patrick C.","Synthesis of iridium and ruthenium complexes with (N,N), (N,O) and (O,O) coordinating bidentate ligands as potential anti-cancer agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13800","13802","10.1039/c2dt32104a","","","0.71073","MoKα","","0.028","0.0254","","","0.0604","0.062","","","","","","1.113","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020682","14.855","0.004","9.4","0.003","17.855","0.006","90","","90","","90","","2493.2","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane- bis(trifluoromethanesulfonate)calcium(ii)","1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane- bis(trifluoromethanesulfonate)calcium(II)","","- C14 H24 Ca F6 O10 S4 -","- C14 H24 Ca F6 O10 S4 -","- C56 H96 Ca4 F24 O40 S16 -","4","1","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.0679","0.0475","","","0.0915","0.1011","","","","","","1.038","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020714","36.3887","0.0006","15.4752","0.0002","16.0031","0.0002","90","","90","","90","","9011.7","0.2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C51.5 H47 N4 O4 P2 Rh -","- C51.5 H47 N4 O4 P2 Rh -","- C412 H376 N32 O32 P16 Rh8 -","8","2","","Boymans, Evert; Janssen, Michèle; Müller, Christian; Lutz, Martin; Vogt, Dieter","Rh-catalyzed linear hydroformylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","137","142","10.1039/c2dt31738a","","","0.71073","MoKα","","0.0367","0.0278","","","0.0601","0.0638","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020790","16.1862","0.0003","6.2126","0.0006","22.2214","0.0011","90","","90","","90","","2234.5","0.2","150","1","150","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H30 Sn2 -","- C22 H30 Sn2 -","- C88 H120 Sn8 -","4","1","","Khan, Aman; Lough, Alan J.; Gossage, Robert A.; Foucher, Daniel A.","Pd-catalysed reactions of alkynes with model distannanes and poly[di-(n-butyl)]stannane.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2469","2476","10.1039/c2dt31999c","","","0.71073","MoKα","","0.1033","0.059","","","0.1328","0.162","","","","","","1.036","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020884","21.844","0.005","9.699","0.005","16.066","0.005","90","0.005","90","0.005","90","0.005","3404","2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H45 Mo N5 O S3 -","- C30 H45 Mo N5 O S3 -","- C120 H180 Mo4 N20 O4 S12 -","4","1","","Mitra, Joyee; Sarkar, Sabyasachi","Modelling the reduced xanthine oxidase in active sulfo and inactive desulfo forms.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3050","3058","10.1039/c2dt32309e","","","0.71069","MoKα","","0.0797","0.0556","","","0.1452","0.212","","","","","","1.091","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020979","20.712","0.003","9.4816","0.0013","8.0453","0.0012","90","","90","","90","","1580","0.4","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H13 N -","- C25 H13 N -","- C100 H52 N4 -","4","1","","Yamada, Mihoko; Tashiro, Shohei; Miyake, Ryosuke; Shionoya, Mitsuhiko","A cyclopalladated complex of corannulene with a pyridine pendant and its columnar self-assembly","Dalton Transactions","2013","42","10","3300","","10.1039/c2dt32883f","","","0.71075","MoKα","","","0.0862","","","","0.2365","","","","","","1.134","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7021627","16.085","0.002","11.92","0.002","10.473","0.001","90","","90","","90","","2008","0.5","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H12 Ce F9 O8 S2 -","- C10 H12 Ce F9 O8 S2 -","- C40 H48 Ce4 F36 O32 S8 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Bulin, Anne-Laure; Ledoux, Gilles; Jouguet, Bernadette; Amans, David; Belsky, Andrei; Daniele, Stéphane; Dujardin, Christophe","A molecular precursor approach to monodisperse scintillating CeF3 nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12633","12643","10.1039/c3dt50605c","","","0.7107","MoKα","","0.0682","0.0605","","0.1735","0.1427","0.1735","","","","","","0.9038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021688","12.115","0.003","7.744","0.002","69.22","0.02","90","","90","","90","","6494","3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C34 H56 N2 O2 -","- C34 H56 N2 O2 -","- C272 H448 N16 O16 -","8","2","","Kober, Ewa; Janas, Zofia; Nerkowski, Tomasz; Jerzykiewicz, Lucjan B.","Magnesium, zinc and aluminium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis, solid state and solution structure.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10847","10854","10.1039/c3dt50938a","","","1.5418","CuKα","","0.1161","0.0791","","","0.1854","0.2024","","","","","","1.066","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021714","12.8089","0.0018","10.4279","0.0014","16.766","0.002","90","","90","","90","","2239.4","0.5","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H25 Cl N2 O Te -","- C24 H25 Cl N2 O Te -","- C96 H100 Cl4 N8 O4 Te4 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.029","0.0219","","","0.0461","0.0491","","","","","","1.069","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021716","11.496","0.005","21.96","0.011","18.202","0.009","90","","90","","90","","4595","4","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H25 I N2 O Te -","- C24 H25 I N2 O Te -","- C192 H200 I8 N16 O8 Te8 -","8","2","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.1377","0.058","","","0.1021","0.1386","","","","","","0.859","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021909","19.975","0.003","9.0763","0.0015","14.38","0.002","90","","90","","90","","2607.1","0.7","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H38 N2 P2 Pt Se2 -","- C22 H38 N2 P2 Pt Se2 -","- C88 H152 N8 P8 Pt4 Se8 -","4","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","0.71073","MoKα","","0.0281","0.0238","","","0.0499","0.0511","","","","","","1.013","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7023058","11.1244","0.0006","9.2761","0.0005","7.9793","0.0004","90","","90","","90","","823.39","0.08","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H8 F3 N O2 Si -","- C6 H8 F3 N O2 Si -","- C24 H32 F12 N4 O8 Si4 -","4","1","","Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.","Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10971","10981","10.1039/c3dt50613d","","","0.71073","MoKα","","0.0232","0.0226","","","0.0552","0.0556","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023697","13.339","0.002","6.5492","0.0012","12.36","0.002","90","","90","","90","","1079.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Cl4 Mo O3 -","- C4 H9 Cl4 Mo O3 -","- C16 H36 Cl16 Mo4 O12 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactivity of molybdenum pentachloride with ethers: routes to the synthesis of Mo(IV)Cl4 adducts, Mo(v) chlorido-alkoxides and Mo(v) oxydo-chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15226","15234","10.1039/c3dt51797g","","","0.71073","MoKα","","0.0237","0.0235","","","0.0564","0.0565","","","","","","1.086","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023945","18.189","0.002","14.5123","0.0012","16.414","0.005","90","","90","","90","","4332.7","1.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H65 N4 O Si4 Y -","- C35 H65 N4 O Si4 Y -","- C140 H260 N16 O4 Si16 Y4 -","4","1","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.71073","MoKα","","0.0707","0.047","","","0.1033","0.1142","","","","","","1.007","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023959","16.3089","0.0015","21.3025","0.0018","24.111","0.002","90","","90","","90","","8376.7","1.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C96 H98 Cu2 N8 O P2 -","- C96 H98 Cu2 N8 O P2 -","- C384 H392 Cu8 N32 O4 P8 -","4","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.0602","0.0447","","","0.1053","0.114","","","","","","1.025","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023991","13.8634","0.0006","7.9011","0.0003","18.1937","0.0006","90","","90","","90","","1992.87","0.13","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H23 Fe N8 O2 -","- C20 H23 Fe N8 O2 -","- C80 H92 Fe4 N32 O8 -","4","1","","Herchel, Radovan; Trávníček, Zdeněk","5-Aminotetrazole induces spin crossover in iron(iii) pentadentate Schiff base complexes: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16279","16288","10.1039/c3dt52301b","","","0.71073","MoKα","","0.0399","0.035","","","0.0853","0.0873","","","","","","0.997","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024224","9.9728","0.0006","17.7024","0.001","9.0229","0.0005","90","","90","","90","","1592.93","0.16","150","","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C11 H22 Ag F3 N2 O3 S -","- C11 H22 Ag F3 N2 O3 S -","- C44 H88 Ag4 F12 N8 O12 S4 -","4","1","","Di Nicola, Corrado; Effendy,; Marchetti, Fabio; Nervi, Carlo; Pettinari, Claudio; Robinson, Ward T.; Sobolev, Alexandre N.; White, Allan H.","Syntheses, structures and spectroscopy of uni- and bi-dentate nitrogen base complexes of silver(I) trifluoromethanesulfonate.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","908","922","10.1039/b913173f","","","0.71073","MoKα","","0.044","0.028","","0.034","","0.029","","","1.057","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7024391","29.886","0.003","28.35","0.003","15.2719","0.0018","90","","90","","90","","12939","2","294","2","294","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C100 H92 Cu6 N20 O44 Si W11 -","- C100 H80 Cu6 N20 O44.06 Si W11.03 -","- C400 H320 Cu24 N80 O176.24 Si4 W44.12 -","4","1","","Zheng, Shou-Tian; Yang, Guo-Yu","The first polyoxometalate-templated four-fold interpenetrated coordination polymer with new topology and ferroelectricity.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","700","703","10.1039/b916462f","","","0.71073","MoKα","","0.0388","0.0365","","","0.0905","0.0926","","","","","","1.045","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024445","18.3656","0.0004","16.0416","0.0004","17.5199","0.0006","90","","90","","90","","5161.6","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H54 Br4 Co N4 -","- C48 H54 Br4 Co N4 -","- C192 H216 Br16 Co4 N16 -","4","1","","Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais","Molecular tectonics: formation and structural studies on a 2-D directional coordination network based on a non-centric metacyclophane based tecton and zinc cation.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","2137","2146","10.1039/b917089h","","","0.71073","MoKα","","0.1267","0.0951","","","0.2445","0.2672","","","","","","1.256","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024454","18.2193","0.0007","7.5981","0.0004","17.7793","0.0007","90","","90","","90","","2461.23","0.19","123","2","123","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H38 Fe K N3 Zn -","- C21 H38 Fe K N3 Zn -","- C84 H152 Fe4 K4 N12 Zn4 -","4","1","","Clegg, William; Conway, Ben; García-Alvarez, Pablo; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Russo, Luca","Potassium-mediated zincation of ferrocene and ruthenocene: potassium, the architect behind supramolecular structural variations.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","62","65","10.1039/b917202p","","","0.71073","MoKα","","0.0717","0.0374","","","0.0448","0.0486","","","","","","0.799","","","","has coordinates,has disorder","179949","2020-10-21","18:00:00",""
"7024492","20.6849","0.0005","10.1795","0.0002","19.2592","0.0005","90","","90","","90","","4055.25","0.16","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H40 B F4 N2 P2 Ru -","- C45 H40 B F4 N2 P2 Ru -","- C180 H160 B4 F16 N8 P8 Ru4 -","4","1","","Cheung, Hung Wai; Li, Juan; Zheng, Wenxu; Zhou, Zhongyuan; Chiu, Yu Hin; Lin, Zhenyang; Lau, Chak Po","Dialkylamino cyclopentadienyl ruthenium(ii) complex-catalyzed alpha-alkylation of arylacetonitriles with primary alcohols.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","265","274","10.1039/b917805h","","","0.71073","MoKα","","0.1001","0.0493","","","0.0891","0.1044","","","","","","1.001","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024529","16.7951","0.0009","16.5308","0.0012","7.408","0.0005","90","","90","","90","","2056.7","0.2","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H18 N6 -","- C27 H18 N6 -","- C108 H72 N24 -","4","1","","White, Wade; Hudson, Zachary M.; Feng, Xiaodong; Han, Sijin; Lu, Zheng-Hong; Wang, Suning","Linear and star-shaped benzimidazolyl derivatives: syntheses, photophysical properties and use as highly efficient electron transport materials in OLEDs.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","892","899","10.1039/b918203a","","","0.71073","MoKα","","0.0667","0.0449","","","0.0922","0.1029","","","","","","1.029","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7025106","19.057","0.004","5.5459","0.0011","13.697","0.003","90","","90","","90","","1447.6","0.5","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H8 Cu N6 S2 -","- C13 H8 Cu N6 S2 -","- C52 H32 Cu4 N24 S8 -","4","1","","Klingele, Julia; Kaase, Dominic; Hilgert, Jakob; Steinfeld, Gunther; Klingele, Marco H.; Lach, Jochen","Triazolopyridines as ligands: structural diversity in iron(II), cobalt(II), nickel(II) and copper(II) complexes of 3-(2-pyridyl)-[1,2,4]triazolo[4,3-a]- pyridine (L¹⁰) and spin crossover in [Fe(II)(L¹⁰)₂(NCS)₂].","Dalton transactions (Cambridge, England : 2003)","2010","39","19","4495","4507","10.1039/b925107c","","","0.71073","MoKα","","0.0625","0.0435","","","0.0768","0.0871","","","","","","1.085","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7025174","14.6644","0.0005","12.6647","0.0004","22.4167","0.0006","90","","90","","90","","4163.2","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H44 N4 O4 Zn2 -","- C52 H44 N4 O4 Zn2 -","- C208 H176 N16 O16 Zn8 -","4","1","","Martínez Belmonte, Marta; Wezenberg, Sander J.; Haak, Robert M.; Anselmo, Daniele; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Self-assembly of Zn(salphen) complexes: steric regulation, stability studies and crystallographic analysis revealing an unexpected dimeric 3,3'-t-Bu-substituted Zn(salphen) complex.","Dalton transactions (Cambridge, England : 2003)","2010","39","19","4541","4550","10.1039/b925560e","","","0.71073","MoKα","","0.0403","0.0322","","","0.0723","0.0748","","","","","","0.982","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7025562","17.186","0.0009","19.056","0.001","22.1544","0.0011","90","","90","","90","","7255.5","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H57 N3 O2 Zn -","- C40 H57 N3 O2 Zn -","- C320 H456 N24 O16 Zn8 -","8","2","","Anselmo, Daniele; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Isolation and characterization of a new type of mu-hydroxo-bis-Zn(salphen) assembly.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8733","8740","10.1039/c001801e","","","0.71073","MoKα","","0.0432","0.0381","","","0.0903","0.0926","","","","","","1.055","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7026042","29.063","0.003","10.5847","0.0012","17.7982","0.0019","90","","90","","90","","5475.1","1","100","0.1","100","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","jontt05","","","- C24 H33 B F4 N6 P Rh -","- C24 H32 B F4 N6 P Rh -","- C192 H256 B8 F32 N48 P8 Rh8 -","8","2","","Tanabe, Taro; Brennessel, William W.; Clot, Eric; Eisenstein, Odile; Jones, William D.","Synthesis, structure, and reductive elimination in the series Tp'Rh(PR3)(Ar(F))H; determination of rhodium-carbon bond energies of fluoroaryl substituents.","Dalton transactions (Cambridge, England : 2003)","2010","39","43","10495","10509","10.1039/c0dt00157k","","","0.71073","MoKα","","0.1239","0.0646","","","0.1235","0.1464","","","","","","1.014","","","","has coordinates,has disorder","179966","2020-10-21","18:00:00",""
"7026125","14.7293","0.0006","21.9562","0.0008","12.4897","0.0006","90","","90","","90","","4039.2","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H32 Cl Cu N2 -","- C23 H32 Cl Cu N2 -","- C184 H256 Cl8 Cu8 N16 -","8","2","","Díez-González, Silvia; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Stevens, Edwin D.; Slawin, Alexandra M. Z.; Nolan, Steven P.","[(NHC)CuX] complexes: synthesis, characterization and catalytic activities in reduction reactions and Click chemistry. On the advantage of using well-defined catalytic systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","32","7595","7606","10.1039/c0dt00218f","","","0.71073","MoKα","","0.0562","0.0369","","","0.0811","0.0893","","","","","","0.987","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026150","19.4278","0.0005","9.2147","0.0002","19.0384","0.0005","90","","90","","90","","3408.28","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","4","P c a 21","P 2c -2ac","29","","","","- C43 H37 Cu N4 -","- C43 H37 Cu N4 -","- C172 H148 Cu4 N16 -","4","1","","Oguadinma, Paul O.; Rodrigue-Witchel, Alexandre; Reber, Christian; Schaper, Frank","Intramolecular pi-stacking in copper(I) diketiminate phenanthroline complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8759","8768","10.1039/c0dt00240b","","","1.54178","CuKα","","0.043","0.0302","","","0.0532","0.0557","","","","","","0.885","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026240","23.312","0.003","13.9149","0.0018","16.938","0.002","90","","90","","90","","5494.4","1.2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C132 H130 Cl4 N8 O3 Ru4 -","- C132 H126 Cl4 N8 O3 Ru4 -","- C264 H252 Cl8 N16 O6 Ru8 -","2","0.5","","Boutadla, Youcef; Davies, David L.; Al-Duaij, Omar; Fawcett, John; Jones, Rachel C.; Singh, Kuldip","Alkyne insertion into cyclometallated pyrazole and imine complexes of iridium, rhodium and ruthenium; relevance to catalytic formation of carbo- and heterocycles.","Dalton transactions (Cambridge, England : 2003)","2010","39","43","10447","10457","10.1039/c0dt00280a","","","0.71073","MoKα","","0.0646","0.0461","","","0.0724","0.0775","","","","","","0.887","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026365","19.221","0.004","10.995","0.002","12.001","0.002","90","","90","","90","","2536.2","0.8","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C19 H26 Cu F6 Fe P Se4 -","- C19 H26 Cu F6 Fe P Se4 -","- C76 H104 Cu4 F24 Fe4 P4 Se16 -","4","1","","Jing, Su; Morley, Christopher P.; Gu, Cheng-Yun; Di Vaira, Massimo","1,5,9,13-Tetraselena[13]ferrocenophane: synthesis, complexation, crystallographic and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8812","8819","10.1039/c0dt00367k","","","0.71073","MoKα","","0.0874","0.0455","","","0.0521","0.0596","","","","","","0.924","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7026618","18.6543","0.001","11.9951","0.0006","19.4642","0.001","90","","90","","90","","4355.3","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H68 Fe2 N4 Zr -","- C48 H68 Fe2 N4 Zr -","- C192 H272 Fe8 N16 Zr4 -","4","1","","Multani, Kanwarpal; Stanlake, Louisa J. E.; Stephan, Douglas W.","Ti and Zr complexes of ferrocenyl amidinates.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8957","8966","10.1039/c0dt00530d","","","0.71073","MoKα","","0.109","0.054","","","0.0948","0.1119","","","","","","0.998","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026740","10.2807","0.0012","8.6012","0.001","18.634","0.002","90","","90","","90","","1647.7","0.3","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 O10 P2 Zn3 -","- C14 H8 O10 P2 Zn3 -","- C56 H32 O40 P8 Zn12 -","4","1","","Li, Jin-Tang; Cao, Deng-Ke; Akutagawa, Tomoyuki; Zheng, Li-Min","Zn(3)(4-OOCC(6)H(4)PO(3))(2): A polar metal phosphonate with pillared layered structure showing SHG-activity and large dielectric anisotropy.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8606","8608","10.1039/c0dt00647e","","","0.71073","MoKα","","0.0375","0.0338","","","0.057","0.0576","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7027316","22.28","0.004","20.665","0.004","16.909","0.003","90","","90","","90","","7785","2","213","2","213","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C79 H78 F12 Hg3 O4 P6 Si2 -","- C79 H66 F12 Hg3 O4 P6 Si2 -","- C316 H264 F48 Hg12 O16 P24 Si8 -","4","1","","Knoepfler-Mühlecker, Anna; Scheffter, Birgit; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Host‒guest chemistry of the cluster [Hg3(μ-dppm)3]4+ [dppm = bis(diphenylphosphino)methane] with oxo- and fluoro-anions","Journal of the Chemical Society, Dalton Transactions","1999","","15","2525","","10.1039/a901327j","","","0.71073","MoKa","","0.0833","0.0478","","0.1133","0.0985","","","","1.054","1.099","1.099","","","","","has coordinates","179979","2020-10-21","18:00:00",""
"7027461","30.899","0.006","12.156","0.002","17.311","0.004","90","","90","","90","","6502","2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H42 N2 O4 Pt Se Sn -","- C28 H42 N2 O4 Pt Se Sn -","- C224 H336 N16 O32 Pt8 Se8 Sn8 -","8","2","","Janzen, Michael C.; Jenkins, Hilary A.; Jennings, Michael C.; Rendina, Louis M.; Puddephatt, Richard J.","Easy ring expansion and contraction in Pt‒Sn bonded metallacycles","Journal of the Chemical Society, Dalton Transactions","1999","","11","1713","","10.1039/a902991e","","","0.71073","MoKα","","0.0366","0.0293","","0.0651","0.063","","","","1.045","1.075","1.075","","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027866","17.86","0.003","11.678","0.0019","13.525","0.002","90","","90","","90","","2820.9","0.8","160","2","160","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H41 N2 Na O8 -","- C27 H41 N2 Na O8 -","- C108 H164 N8 Na4 O32 -","4","1","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.1151","0.0588","","","0.1399","0.1665","","","","","","1.032","","","","has coordinates,has disorder","179984","2020-10-21","18:00:00",""
"7028663","28.655","0.003","8.0546","0.0008","16.2099","0.0017","90","","90","","90","","3741.3","0.7","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(IPrEtOMe)2NiCl2","","","- C36 H52 Cl2 N4 Ni O2 -","- C36 H52 Cl2 N4 Ni O2 -","- C144 H208 Cl8 N16 Ni4 O8 -","4","1","","Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4700","4710","10.1039/c3dt52773e","","x-ray","0.71073","MoKα","","0.0401","0.0331","","","0.0833","0.0863","","","","","","1.073","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7029401","17.6218","0.0003","12.2104","0.0003","22.7534","0.0004","90","","90","","90","","4895.83","0.17","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H29 N3 Ni O3 -","- C26 H29 N3 Ni O3 -","- C208 H232 N24 Ni8 O24 -","8","2","","Buchowicz, Włodzimierz; Banach, Lukasz; Conder, Joanna; Guńka, Piotr A; Kubicki, Dominik; Buchalski, Piotr","Anion exchange in [Ni(η(5)-C5H4R)(Cl)(NHC)]. Counterion effect on the structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5847","5857","10.1039/c3dt53352b","","","0.7107","MoKα","","0.0606","0.0532","","","0.1444","0.1516","","","","","","1.067","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7030138","26.321","0.005","9.652","0.005","14.209","0.005","90","0.005","90","0.005","90","0.005","3610","2","180","2","180","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C38 H39 B Cl2 F4 Fe P Rh S -","- C38 H39 B Cl2 F4 Fe P Rh S -","- C152 H156 B4 Cl8 F16 Fe4 P4 Rh4 S4 -","4","1","","Kozinets, Ekaterina M.; Koniev, Oleksandr; Filippov, Oleg A.; Daran, Jean-Claude; Poli, Rinaldo; Shubina, Elena S.; Belkova, Natalia V.; Manoury, Eric","Coordination chemistry of diphenylphosphinoferrocenylthioethers on cyclooctadiene and norbornadiene rhodium(I) platforms.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11849","11859","10.1039/c2dt30993a","","","0.71073","MoKα","","0.0399","0.034","","","0.0833","0.0857","","","","","","1.036","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030246","15.3534","0.0003","10.4548","0.0002","12.3471","0.0003","90","","90","","90","","1981.92","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H29 Fe I O2 -","- C19 H29 Fe I O2 -","- C76 H116 Fe4 I4 O8 -","4","1","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","1.54184","CuKα","","0.0286","0.0277","","","0.0704","0.0712","","","","","","1.039","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030444","18.26","0.004","9.163","0.0018","15.057","0.003","90","","90","","90","","2519.3","0.9","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C21 H25 Cl Co F6 N5 Sb -","- C21 H25 Cl Co F6 N5 Sb -","- C84 H100 Cl4 Co4 F24 N20 Sb4 -","4","1","","Nebe, Thomas; Beitat, Alexander; Würtele, Christian; Dücker-Benfer, Carlos; van Eldik, Rudi; McKenzie, Christine J.; Schindler, Siegfried","Reinvestigation of the formation of a mononuclear Fe(III) hydroperoxido complex using high pressure kinetics.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7768","7773","10.1039/c0dt00247j","","","0.71073","MoKα","","0.0397","0.0357","","","0.0945","0.0976","","","","","","1.041","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030469","18.1283","0.0007","17.5351","0.0005","23.7893","0.0009","90","","90","","90","","7562.2","0.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H42 Cl2 Co N2 Ru -","- C39 H42 Cl2 Co N2 Ru -","- C312 H336 Cl16 Co8 N16 Ru8 -","8","2","","Batcup, Rhys; Annibale, Vincent T.; Song, Datong","Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8951","8958","10.1039/c4dt01165a","","","0.71073","MoKα","","0.1242","0.0573","","","0.1026","0.1218","","","","","","0.985","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030817","19.0605","0.0012","10.8765","0.0007","7.6109","0.0005","90","","90","","90","","1577.83","0.18","113.1","","113","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H14 Cl2 N2 O2 Pt -","- C16 H14 Cl2 N2 O2 Pt -","- C64 H56 Cl8 N8 O8 Pt4 -","4","1","","Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi","Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10074","10085","10.1039/c4dt00560k","","","0.71075","MoKα","","","0.0179","","","","0.0309","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031097","8.908","0.003","12.523","0.004","20.764","0.005","90","","90","","90","","2316.3","1.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H17 Cl3 N3 O3 Re -","- C23 H17 Cl3 N3 O3 Re -","- C92 H68 Cl12 N12 O12 Re4 -","4","1","","Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.","Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2004","","21","3678","3688","10.1039/B411341A","","","0.71073","MoKα","","0.0474","0.0403","","","0.0846","0.0876","","","","","","1.069","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031207","16.268","0.003","12.616","0.003","15.815","0.003","90","","90","","90","","3245.8","1.2","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H13 Cl3 Fe N5 O -","- C12 H13 Cl3 Fe N5 O -","- C96 H104 Cl24 Fe8 N40 O8 -","8","2","","Fang, Yang-Yang; Gong, Wei-Jie; Shang, Xiu-Juan; Li, Hong-Xi; Gao, Jun; Lang, Jian-Ping","Synthesis and structure of a ferric complex of 2,6-di(1H-pyrazol-3-yl)pyridine and its excellent performance in the redox-controlled living ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8282","8289","10.1039/c4dt00475b","","","0.71073","MoKα","","0.0712","0.0623","","","0.1348","0.1437","","","","","","1.114","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031212","14.1597","0.0009","10.5162","0.0007","24.8704","0.0015","90","","90","","90","","3703.4","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H28 Mn N6 O4 -","- C40 H28 Mn N6 O4 -","- C160 H112 Mn4 N24 O16 -","4","1","","Yuan, Guozan; Shan, Weilong; Liu, Bin; Rong, Lulu; Zhang, Liyan; Zhang, Hui; Wei, Xianwen","Three Mn(ii) coordination polymers with a bispyridyl-based quinolinate ligand: the anion-controlled tunable structural and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9777","9785","10.1039/c4dt00877d","","","1.54178","CuKα","","0.0869","0.0734","","","0.2064","0.2209","","","","","","1.033","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031266","24.7202","0.0011","10.1169","0.0004","14.2381","0.0006","90","","90","","90","","3560.8","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Iodo(1,10-phenanthroline-κN:κN')(1,3-di-<i>tert</i>- butyl-2,4-bis(<i>tert</i>-butylamino)-2-methyl-[1,3,2,4] diazadiphosphetidin-2-ium-κP)copper(I) Iodide","","- C29 H49 Cu I2 N6 P2 -","- C29 H49 Cu I2 N6 P2 -","- C116 H196 Cu4 I8 N24 P8 -","4","1","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0261","0.0229","","","0.047","0.0487","","","","","","1.062","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031286","17.9918","0.0016","12.0283","0.0011","22.162","0.002","90","","90","","90","","4796.1","0.7","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H65 Cl3 N2 O2 Ti -","- C48 H65 Cl3 N2 O2 Ti -","- C192 H260 Cl12 N8 O8 Ti4 -","4","1","","Zhao, Ruiguo; Liu, Taotao; Wang, Liying; Ma, Haiyan","High temperature ethylene polymerization catalyzed by titanium(iv) complexes with tetradentate aminophenolate ligands in cis-O, N, N chelating mode.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12663","12677","10.1039/c4dt01122h","","","0.71073","MoKα","","0.197","0.0782","","","0.164","0.2198","","","","","","0.96","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031359","23.735","0.002","10.4695","0.001","18.5654","0.0017","90","","90","","90","","4613.4","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C45 H74 B Li N2 O3 -","- C45 H74 B Li N2 O3 -","- C180 H296 B4 Li4 N8 O12 -","4","1","","Chen, Mingwei; Wang, Yuzhong; Gilliard, Robert J.; Jr,; Wei, Pingrong; Schwartz, Nichole A.; Robinson, Gregory H.","Synthesis and molecular structure of an abnormal carbene-gallium chloride complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14211","14214","10.1039/c4dt00933a","","","0.71073","MoKα","","0.1351","0.0584","","","0.1268","0.1633","","","","","","1.018","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031455","21.439","0.004","12.674","0.003","18.917","0.004","90","","90","","90","","5140.1","1.9","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","poly[[bis-(N,N-dimethylformamide)-tetrakis(methanol)-(μ~6~- 1,3,5,7-tetrakis(5-tetrazolato)adamantane-dimanganese(II)] N,N-dimethylformamide, bis-methanol, di-water solvate]","","- C29 H61 Mn2 N19 O11 -","- C24 H38 Mn2 N18 O6 -","- C96 H152 Mn8 N72 O24 -","4","1","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Sanchiz, Joaquín; Mayer, Peter; Janiak, Christoph","1,3,5,7-Tetrakis(tetrazol-5-yl)-adamantane: the smallest tetrahedral tetrazole-functionalized ligand and its complexes formed by reaction with anhydrous M(ii)Cl2 (M = Mn, Cu, Zn, Cd).","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12590","12605","10.1039/c4dt01022a","","","0.71073","MoKα","","0.0884","0.0654","","","0.1693","0.1813","","","","","","0.944","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7031609","9.89","0.002","13.18","0.003","18.563","0.004","90","","90","","90","","2419.7","0.9","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H18 Cl2 Cu N6 S2 -","- C24 H18 Cl2 Cu N6 S2 -","- C96 H72 Cl8 Cu4 N24 S8 -","4","1","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.054","0.0428","","","0.0992","0.1064","","","","","","1.092","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031661","29.645","0.003","14.4732","0.0009","20.678","0.003","90","","90","","90","","8872.1","1.7","173","2","173","2","","","","","","","","9","P c a 21","P 2c -2ac","29","[RuI(NO)2(PCy3)2]BF4","","","- C36 H66 B F4 I N2 O2 P2 Ru -","- C36 H66 B F4 I N2 O2 P2 Ru -","- C288 H528 B8 F32 I8 N16 O16 P16 Ru8 -","8","2","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0684","0.0557","","","0.1532","0.1667","","","","","","1.062","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031714","20.4931","0.0018","11.207","0.0009","26.943","0.004","90","","90","","90","","6187.9","1.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H88 Cu4 Fe2 I4 P4 -","- C52 H88 Cu4 Fe2 I4 P4 -","- C208 H352 Cu16 Fe8 I16 P16 -","4","1","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","Syntheses, characterization, and structural studies of copper(i) complexes containing 1,1'-bis(di-tert-butylphosphino)ferrocene (dtbpf) and their application in palladium-catalyzed Sonogashira coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13620","13629","10.1039/c4dt01411a","","","0.71073","MoKα","","0.1615","0.1492","","","0.3531","0.3658","","","","","","1.451","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031722","25.3317","0.0002","27.1293","0.0002","28.8386","0.0002","90","","90","","90","","19818.8","0.3","123.2","0.3","123.2","0.3","","","","","","","see text","6","P c a 21","P 2c -2ac","29","","","","- C229 H262 Cl2 Fe4 O8 Te2 -","- C229 H262 Cl2 Fe4 O8 Te2 -","- C916 H1048 Cl8 Fe16 O32 Te8 -","4","1","","Heinl, S.; Scheer, M.","Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16139","16142","10.1039/c4dt01764a","","x-ray","1.54178","CuKα","","0.0534","0.0461","","","0.1279","0.1306","","","","","","1.036","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031800","40.0363","0.0006","12.1313","0.0003","12.4471","0.0003","90","","90","","90","","6045.5","0.2","183","2","183","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C53.5 H70 F12 N8 O2.5 P2 Ru -","- C53.5 H68 F12 N8 O2.5 P2 Ru -","- C214 H272 F48 N32 O10 P8 Ru4 -","4","1","","Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven","Carbene based photochemical molecular assemblies for solar driven hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13683","13695","10.1039/c4dt01546k","","","0.71073","MoKα","","0.0945","0.0645","","","0.1687","0.1864","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031801","38.6452","0.0008","11.8866","0.0002","12.7938","0.0003","90","","90","","90","","5877","0.2","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C58 H65 F12 N9 P2 Ru -","- C58 H65 F12 N9 P2 Ru -","- C232 H260 F48 N36 P8 Ru4 -","4","1","","Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven","Carbene based photochemical molecular assemblies for solar driven hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13683","13695","10.1039/c4dt01546k","","","0.71073","MoKα","","0.0735","0.0585","","","0.1364","0.1446","","","","","","1.047","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7032092","19.985","0.0005","8.533","0.0018","31.148","0.0012","90","","90","","90","","5311.7","1.1","150","2","150.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H32 Au Br N4 -","- C27 H32 Au Br N4 -","- C216 H256 Au8 Br8 N32 -","8","2","","Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš","Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15465","15474","10.1039/c4dt01994f","","","0.71073","MoKα","","0.0548","0.0471","","","0.1154","0.1212","","","","","","1.118","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032821","8.5105","0.0006","8.8219","0.0006","21.8277","0.0014","90","","90","","90","","1638.8","0.19","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","phthalonitrile","","","- C18 H17 N3 O2 S -","- C18 H17 N3 O2 S -","- C72 H68 N12 O8 S4 -","4","1","","Işci, Umit; Caner, Celal; Zorlu, Yunus; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa","Sulfonamide-substituted iron phthalocyanine: design, solubility range, stability and oxidation of olefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17916","17919","10.1039/c4dt02412e","","","0.71073","MoKα","","0.0319","0.0295","","","0.0724","0.0742","","","","","","1.06","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032905","15.2083","0.0008","6.545","0.0003","21.7516","0.0012","90","","90","","90","","2165.12","0.19","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","2","","Rosas-Sánchez, Alfredo; Toscano, Rubén A; López-Cortés, José G; Ortega-Alfaro, M Carmen","An expedient approach to synthesize fluorescent 3-substituted 4H-quinolizin-4-ones via (η(4)-vinylketene)-Fe(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","578","590","10.1039/c4dt03021d","","","0.71073","MoKα","","0.0808","0.0563","","","0.1249","0.1431","","","","","","1.024","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032972","11.388","0.005","18.873","0.005","17.688","0.005","90","0.005","90","0.005","90","0.005","3802","2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C43 H37 N3 O3 Sn -","- C43 H32 N3 O3 Sn -","- C172 H128 N12 O12 Sn4 -","4","1","","Zhao, Xuesong; Liu, Jie; Wang, Hui; Zou, Yan; Li, Shengli; Zhang, Shengyi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Synthesis, crystal structures and two-photon absorption properties of triphenylamine cyanoacetic acid derivative and its organooxotin complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","701","709","10.1039/c4dt02251c","","","0.71069","MoKα","","0.046","0.0375","","","0.1038","0.1136","","","","","","1.065","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7033020","17.547","0.005","10.262","0.005","20.588","0.005","90","","90","","90","","3707","2","90","","90","","","","","","","","","7","P c a 21","P 2c -2ac","29","","[NpN3]FeBr(THF)","","- C35 H54 Br Fe N4 O P -","- C35 H54 Br Fe N4 O P -","- C140 H216 Br4 Fe4 N16 O4 P4 -","4","1","","Ogawa, Takahiko; Suzuki, Tatsuya; Hein, Nicholas M.; Pick, Fraser S.; Fryzuk, Michael D.","Cleavage of an aryl carbon-nitrogen bond of a phosphazido iron(II) complex promoted by hydride metathesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","54","57","10.1039/c4dt03136a","","","0.71069","MoKα","","0.0712","0.0472","","","0.1014","0.1105","","","","","","1.022","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033059","17.614","0.003","11.581","0.002","31.048","0.006","90","","90","","90","","6333","2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H36 Ag2 N8 O8 -","- C29 H36 Ag2 N8 O8 -","- C232 H288 Ag16 N64 O64 -","8","2","","Ma, Zhen; Shi, Huaduan; Deng, Xiuqiang; Guedes da Silva, M Fátima C; Martins, Luísa M D R S; Pombeiro, Armando J. L.","Silver coordination polymers with tri- and hexacyanoethyl-functionalized macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1388","1396","10.1039/c4dt02604g","","","0.71073","MoKα","","0.0708","0.0506","","","0.126","0.139","","","","","","1.042","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033303","15.8598","0.0003","9.9515","0.0002","10.9722","0.0002","90","","90","","90","","1731.73","0.06","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H19 N6 Ni O S3 -","- C10 H19 N6 Ni O S3 -","- C40 H76 N24 Ni4 O4 S12 -","4","1","","Das, Mriganka; Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Mukhopadhyay, Suman","Nickel(ii) complexes with a flexible piperazinyl moiety: studies on DNA and protein binding and catecholase like properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2299","2310","10.1039/c4dt02675f","","","0.71073","MoKα","","0.0252","0.0243","","","0.0624","0.0634","","","","","","1.068","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033475","37.4298","0.0009","9.4501","0.0002","13.346","0.0003","90","","90","","90","","4720.69","0.18","150","2","150","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C25 H24 Au Cl Fe N P S -","- C25 H24 Au Cl Fe N P S -","- C200 H192 Au8 Cl8 Fe8 N8 P8 S8 -","8","2","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0392","0.0339","","","0.0773","0.0795","","","","","","1.085","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7033544","28.754","0.003","8.4632","0.0008","16.4274","0.0015","90","","90","","90","","3997.6","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H59 I N6 O2 P4 -","- C30 H59 I N6 O2 P4 -","- C120 H236 I4 N24 O8 P16 -","4","1","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","A cyclodiphosphazane based pincer ligand, [2,6-{μ-((t)BuN)2P((t)BuHN)PO}2C6H3I]: Ni(II), Pd(II), Pt(II) and Cu(I) complexes and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3785","3793","10.1039/c4dt02810d","","","0.71073","MoKα","","0.0413","0.0382","","","0.0915","0.0929","","","","","","1.131","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7034046","17.7329","0.0018","16.5921","0.0014","15.9863","0.0016","90","","90","","90","","4703.6","0.8","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 Al N2 -","- C24 H35 Al N2 -","- C192 H280 Al8 N16 -","8","2","","Wu M, Melissa; Gill, Arran M.; Yunpeng, Lu; Falivene, Laura; Yongxin, Li; Ganguly, Rakesh; Cavallo, Luigi; García, Felipe","Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15166","15174","10.1039/c5dt00079c","","","0.71073","MoKα","","0.123","0.0644","","","0.1273","0.1521","","","","","","0.99","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034274","20.7888","0.0003","13.5681","0.0002","32.2236","0.0004","90","","90","","90","","9089.1","0.2","293","2","293","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C52 H40 B Cu F7 N3 O P2 -","- C52 H40 B Cu F7 N3 O P2 -","- C416 H320 B8 Cu8 F56 N24 O8 P16 -","8","2","","Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6706","6710","10.1039/c5dt00865d","","","1.54178","CuKα","","0.0398","0.0387","","","0.115","0.1172","","","","","","1.004","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7034327","9.0713","0.0002","24.61","0.002","16.8975","0.0005","90","","90","","90","","3772.3","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C46 H56 N2 Ni O2 -","- C46 H56 N2 Ni O2 -","- C184 H224 N8 Ni4 O8 -","4","1","","Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander","Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7169","7176","10.1039/c4dt03786c","","","0.71073","MoKα","","0.1023","0.0756","","","0.1611","0.1803","","","","","","1.025","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034416","20.3569","0.0003","13.2942","0.0001","43.3524","0.0005","90","","90","","90","","11732.4","0.2","200","","200","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60.5 H53 Cl3 Ir4 Mo O8 P2 -","- C60.5 H53 Cl3 Ir4 Mo O8 P2 -","- C484 H424 Cl24 Ir32 Mo8 O64 P16 -","8","2","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0655","0.0434","","0.0964","0.08","0.0964","","","","","","0.9286","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034442","20.4147","0.0004","9.7229","0.0002","19.5841","0.0003","90","","90","","90","","3887.25","0.13","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cu I N2 -","- C20 H24 Cu I N2 -","- C160 H192 Cu8 I8 N16 -","8","2","","Nitsch, Jörn; Kleeberg, Christian; Fröhlich, Roland; Steffen, Andreas","Luminescent copper(i) halide and pseudohalide phenanthroline complexes revisited: simple structures, complicated excited state behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6944","6960","10.1039/c4dt03706e","","","0.71073","MoKα","","0.0616","0.0554","","","0.1252","0.1319","","","","","","1.09","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034452","20.886","0.003","10.4222","0.0013","15.2449","0.0019","90","","90","","90","","3318.5","0.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H17 F6 O P Ru -","- C15 H17 F6 O P Ru -","- C120 H136 F48 O8 P8 Ru8 -","8","2","","Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki","Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7595","7605","10.1039/c5dt00723b","","","0.71073","MoKα","","0.0411","0.0389","","","0.1086","0.1111","","","","","","1.042","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034503","17.9326","0.0006","9.3275","0.0003","16.6995","0.0006","90","","90","","90","","2793.26","0.16","150","2","150","2","","","","","","","synthesized by the authors","4","P c a 21","P 2c -2ac","29","","","","- C31 H44 Si Ti -","- C31 H44 Si Ti -","- C124 H176 Si4 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Displacement of ethene from the decamethyltitanocene-ethene complex with internal alkynes, substituent-dependent alkyne-to-allene rearrangement, and the electronic transition relevant to the back-bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7276","7291","10.1039/c5dt00351b","","","0.71073","MoKα","","0.0367","0.0307","","","0.0744","0.0768","","","","","","1.052","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7035113","16.4804","0.0018","13.5952","0.0015","13.7037","0.0015","90","","90","","90","","3070.4","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H17 Ir N2 S2 -","- C14 H17 Ir N2 S2 -","- C112 H136 Ir8 N16 S16 -","8","2","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","A stepwise assembly of a molecular box from 16-electron half-sandwich precursors [Cp*M(pdt)] (M = Rh, Ir).","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10281","10288","10.1039/c5dt01061f","","","0.71073","MoKα","","0.031","0.0237","","","0.0511","0.0539","","","","","","1.002","","","","has coordinates","138609","2020-10-21","18:00:00",""
"7035900","22.3826","0.0016","19.9446","0.0016","30.529","0.002","90","","90","","90","","13628.5","1.7","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C68 H97 Cl3 In2 N4 O3 -","- C68 H97 Cl3 In2 N4 O3 -","- C544 H776 Cl24 In16 N32 O24 -","8","2","","Yu, I.; Ebrahimi, T.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.","Star-shaped PHB-PLA block copolymers: immortal polymerization with dinuclear indium catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14248","14254","10.1039/c5dt02357b","","","0.71073","MoKα","","0.044","0.0314","","","0.0612","0.0661","","","","","","1.015","","","","has coordinates,has disorder","153236","2020-10-21","18:00:00",""
"7036354","10.4802","0.0006","14.7316","0.0008","10.1363","0.0006","90","","90","","90","","1564.94","0.15","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H18 N O P S -","- C16 H18 N O P S -","- C64 H72 N4 O4 P4 S4 -","4","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.0433","0.0361","","","0.075","0.0795","","","","","","1.001","","","","has coordinates","161211","2020-10-21","18:00:00",""
"7036644","14.40074","0.00014","15.5683","0.00018","13.23672","0.00014","90","","90","","90","","2967.61","0.05","203.01","0.1","203.01","0.1","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C17 H30 Cl2 Co N O9 P3 Ru Se -","- C17 H30 Cl2 Co N O9 P3 Ru Se -","- C68 H120 Cl8 Co4 N4 O36 P12 Ru4 Se4 -","4","1","","Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18459","18468","10.1039/c5dt02513c","","x-ray","1.54184","CuKα","","0.0309","0.0275","","","0.0658","0.0678","","","","","","1.003","","","","has coordinates,has disorder","171269","2020-10-21","18:00:00",""
"7036780","27.951","0.003","25.525","0.003","24.007","0.003","90","","90","","90","","17128","3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C80 H120 Nb2 O8 P6 Sn -","- C80 H120 Nb2 O8 P6 Sn -","- C640 H960 Nb16 O64 P48 Sn8 -","8","2","","Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C.","Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1891","1895","10.1039/c5dt03383g","","","0.71073","MoKα","","0.0765","0.0469","","","0.0842","0.0975","","","","","","1.023","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037124","13.4639","0.0003","5.9608","0.0002","57.054","0.002","90","","90","","90","","4578.9","0.2","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Cr Fe2 O4 P2 -","- C24 H22 Cr Fe2 O4 P2 -","- C192 H176 Cr8 Fe16 O32 P16 -","8","2","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.0651","0.0625","","","0.1687","0.1709","","","","","","1.175","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037125","13.5345","0.0002","6.0292","0.0001","57.7249","0.0009","90","","90","","90","","4710.48","0.13","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Fe2 Mo O4 P2 -","- C24 H22 Fe2 Mo O4 P2 -","- C192 H176 Fe16 Mo8 O32 P16 -","8","2","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.0331","0.0313","","","0.0725","0.0735","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037126","13.5214","0.0002","6.0075","0.0001","57.6562","0.0009","90","","90","","90","","4683.4","0.13","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Fe2 O4 P2 W -","- C24 H22 Fe2 O4 P2 W -","- C192 H176 Fe16 O32 P16 W8 -","8","2","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.0385","0.0369","","","0.0751","0.0759","","","","","","1.137","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037194","13.5079","0.0007","22.8614","0.0011","20.0977","0.001","90","","90","","90","","6206.4","0.5","120","","120","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C69.5 H62 B F4 O0.5 P4 Ru -","- C69.5 H62 B F4 O0.5 P4 Ru -","- C278 H248 B4 F16 O2 P16 Ru4 -","4","1","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.","Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21016","21024","10.1039/c5dt03844h","","x-ray","0.71073","MoKα","K-L~3~","0.0705","0.0443","","","0.1098","0.1271","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037362","10.1849","0.0006","15.8617","0.0013","8.22","0.0005","90","","90","","90","","1327.94","0.16","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H20 N2 Si -","- C12 H20 N2 Si -","- C48 H80 N8 Si4 -","4","1","","Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva","Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6175","6182","10.1039/c5dt04044b","","","1.5418","CuKα","","0.065","0.0524","","","0.1288","0.1369","","","","","","1.078","","","","has coordinates","181732","2020-10-21","18:00:00",""
"7037417","17.33337","0.00013","14.29443","0.00011","27.0397","0.00018","90","","90","","90","","6699.64","0.08","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H20 B Cl3 Cu F9 N6 -","- C32 H20 B Cl3 Cu F9 N6 -","- C256 H160 B8 Cl24 Cu8 F72 N48 -","8","2","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0353","0.0342","","","0.0938","0.0947","","","","","","1.039","","","","has coordinates,has disorder","171150","2020-10-21","18:00:00",""
"7037419","17.25818","0.00018","14.2814","0.00011","28.109","0.0003","90","","90","","90","","6928.05","0.12","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H27 B Cu F9 N6 O3 -","- C35 H27 B Cu F9 N6 O3 -","- C280 H216 B8 Cu8 F72 N48 O24 -","8","2","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.039","0.0369","","","0.1027","0.1043","","","","","","1.055","","","","has coordinates,has disorder","171150","2020-10-21","18:00:00",""
"7037694","21.9551","0.0008","18.8423","0.0006","14.7741","0.0004","90","","90","","90","","6111.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H30 Fe N3 S6 -","- C30 H30 Fe N3 S6 -","- C240 H240 Fe8 N24 S48 -","8","2","","Mlowe, Sixberth; Lewis, David J.; Malik, Mohammad Azad; Raftery, James; Mubofu, Egid B.; O'Brien, Paul; Revaprasadu, Neerish","Heterocyclic dithiocarbamato-iron(iii) complexes: single-source precursors for aerosol-assisted chemical vapour deposition (AACVD) of iron sulfide thin films.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2647","2655","10.1039/c5dt03881b","","","1.54178","CuKα","","0.1083","0.067","","","0.1576","0.1784","","","","","","1.027","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7037697","25.408","0.009","8.297","0.003","8.766","0.003","90","","90","","90","","1848","1.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H18 B Cl2 F2 N3 -","- C19 H18 B Cl2 F2 N3 -","- C76 H72 B4 Cl8 F8 N12 -","4","1","","Vedamalai, Mani; Kedaria, Dhaval; Vasita, Rajesh; Mori, Shigeki; Gupta, Iti","Design and synthesis of BODIPY-clickate based Hg(2+) sensors: the effect of triazole binding mode with Hg(2+) on signal transduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2700","2708","10.1039/c5dt04042f","","","0.71075","MoKα","","0.0297","0.0287","","","0.0653","0.066","","","","","","1.049","","","","has coordinates","177807","2020-10-21","18:00:00",""
"7037824","16.1474","0.0007","28.4487","0.0012","26.504","0.0009","90","","90","","90","","12175.2","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C116 H195 N14 O20.5 P4 -","- C116 H195 N14 O20.5 P4 -","- C464 H780 N56 O82 P16 -","4","1","","Casula, Arianna; Bazzicalupi, Carla; Bettoschi, Alexandre; Cadoni, Enzo; Coles, Simon J.; Horton, Peter N.; Isaia, Francesco; Lippolis, Vito; Mapp, Lucy K.; Marini, Giada M.; Montis, Riccardo; Scorciapino, Mariano Andrea; Caltagirone, Claudia","Fluorescent asymmetric bis-ureas for pyrophosphate recognition in pure water.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3078","3085","10.1039/c5dt04497a","","x-ray","0.71075","MoKα","","0.0602","0.0511","","","0.1288","0.1355","","","","","","1.039","","","","has coordinates,has disorder","177784","2020-10-21","18:00:00",""
"7038318","15.8054","0.0002","10.4751","0.0001","35.7199","0.0005","90","","90","","90","","5913.9","0.13","100","2","100","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C25 H36 B Br F4 Fe O3 P2 Re -","- C25 H36 B Br F4 Fe O3 P2 Re -","- C200 H288 B8 Br8 F32 Fe8 O24 P16 Re8 -","8","2","","Furneaux, Aliza G.; Piro, Nicholas A.; Hernández Sánchez, Raúl; Gramigna, Kathryn M.; Fey, Natalie; Robinson, Michael J.; Kassel, W. Scott; Nataro, Chip","Spectroscopic, structural and computational analysis of [Re(CO)3(dippM)Br](n+) (dippM = 1,1'-bis(diiso-propylphosphino)metallocene, M = Fe, n = 0 or 1; M = Co, n = 1).","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4819","4827","10.1039/c5dt04721h","","","0.71073","MoKα","","0.0557","0.0456","","","0.0909","0.0943","","","","","","1.082","","","","has coordinates,has disorder","181700","2020-10-21","18:00:00",""
"7038419","14.686","0.002","9.2437","0.0012","19.177","0.002","90","","90","","90","","2603.3","0.6","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H31 Cl2 N2 O2 Rh -","- C26 H31 Cl2 N2 O2 Rh -","- C104 H124 Cl8 N8 O8 Rh4 -","4","1","","Lucas, Stephanie J.; Lord, Rianne M.; Basri, Aida M.; Allison, Simon J.; Phillips, Roger M.; Blacker, A. John; McGowan, Patrick C.","Increasing anti-cancer activity with longer tether lengths of group 9 Cp* complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6812","6815","10.1039/c6dt00186f","","","0.71073","MoKα","","0.1023","0.0676","","","0.1233","0.1384","","","","","","1.171","","","","has coordinates","182727","2020-10-21","18:00:00",""
"7038615","20.502","0.003","8.2046","0.0014","16.843","0.003","90","","90","","90","","2833.2","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H32 F3 Mn N4 O7 S -","- C25 H32 F3 Mn N4 O7 S -","- C100 H128 F12 Mn4 N16 O28 S4 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.0372","0.0359","","","0.0889","0.0903","","","","","","1.056","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038616","21.107","0.009","8.4","0.004","17.288","0.008","90","","90","","90","","3065","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H32 F3 Mn N4 O7 S -","- C25 H32 F3 Mn N4 O7 S -","- C100 H128 F12 Mn4 N16 O28 S4 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.107","0.0909","","","0.2628","0.2935","","","","","","1.331","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038871","15.2393","0.0013","9.149","0.0008","15.5747","0.0013","90","","90","","90","","2171.5","0.3","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Au2 Cd N6 -","- C18 H18 Au2 Cd N6 -","- C72 H72 Au8 Cd4 N24 -","4","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.0521","0.034","","","0.0644","0.0709","","","","","","0.889","","","","has coordinates","182665","2020-10-21","18:00:00",""
"7038872","15.21","0.003","9.1078","0.0014","15.634","0.003","90","","90","","90","","2165.8","0.7","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Au2 Cd N6 -","- C18 H18 Au2 Cd N6 -","- C72 H72 Au8 Cd4 N24 -","4","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.0318","0.0257","","","0.0511","0.0531","","","","","","0.986","","","","has coordinates","182665","2020-10-21","18:00:00",""
"7038873","15.1496","0.0019","9.0705","0.0011","15.6694","0.0019","90","","90","","90","","2153.2","0.5","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Au2 Cd N6 -","- C18 H18 Au2 Cd N6 -","- C72 H72 Au8 Cd4 N24 -","4","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.028","0.0229","","","0.0456","0.0473","","","","","","0.869","","","","has coordinates","182665","2020-10-21","18:00:00",""
"7038884","23.224","0.003","4.5446","0.0005","23.134","0.003","90","","90","","90","","2441.7","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H21 N9 O7 -","- C24 H21 N9 O7 -","- C96 H84 N36 O28 -","4","1","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Mixed ligand two dimensional Cd(ii)/Ni(ii) metal organic frameworks containing dicarboxylate and tripodal N-donor ligands: Cd(ii) MOF is an efficient luminescent sensor for detection of picric acid in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7881","7892","10.1039/c6dt00753h","","","0.71073","MoKα","","0.1036","0.0853","","","0.1722","0.1819","","","","","","1.14","","","","has coordinates","182680","2020-10-21","18:00:00",""
"7039070","14.703","0.004","10.26","0.003","16.759","0.004","90","","90","","90","","2528.1","1.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H10 As2 F12 N2 -","- C4 H10 As2 F12 N2 -","- C32 H80 As16 F96 N16 -","8","2","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0331","0.0263","","","0.0547","0.0568","","","","","","1.032","","","","has coordinates","185431","2020-10-21","18:00:00",""
"7039296","19.2672","0.0004","20.5759","0.0005","17.2453","0.0004","90","","90","","90","","6836.7","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H56 Co2 F24 O29 Ti4 -","- C44 H56 Co2 F24 O29 Ti4 -","- C176 H224 Co8 F96 O116 Ti16 -","4","1","","Ehsan, Muhammad Ali; Naeem, Rabia; Khaledi, Hamid; Sohail, Manzar; Hakeem Saeed, Abbas; Mazhar, Muhammad","Fabrication of CoTiO3-TiO2 composite films from a heterobimetallic single source precursor for electrochemical sensing of dopamine.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10222","10232","10.1039/c6dt01016d","","","0.71073","MoKα","","0.1176","0.0858","","","0.2091","0.2365","","","","","","1.035","","","","has coordinates,has disorder","185368","2020-10-21","18:00:00",""
"7039353","24.6687","0.0018","13.5393","0.0009","28.996","0.002","90","","90","","90","","9684.6","1.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H47 Cl2 Mn2 N4 O14 -","- C44 H48 Cl2 Mn2 N4 O14 -","- C352 H384 Cl16 Mn16 N32 O112 -","8","2","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11753","11764","10.1039/c6dt01097k","","","0.71073","MoKα","","0.0486","0.0374","","","0.0832","0.0881","","","","","","1.03","","","","has coordinates,has disorder","185485","2020-10-21","18:00:00",""
"7039467","21.4471","0.0012","13.2284","0.0008","13.4064","0.0007","90","","90","","90","","3803.5","0.4","100","2","100.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H22 B9 Co -","- C19 H22 B9 Co -","- C152 H176 B72 Co8 -","8","2","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0675","0.0484","","","0.0985","0.1077","","","","","","1.042","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7040270","19.6249","0.0005","10.165","0.0003","14.9187","0.0004","90","","90","","90","","2976.09","0.14","100","2","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H21 F6 Fe N7 O6 S5 -","- C20 H21 F6 Fe N7 O6 S5 -","- C80 H84 F24 Fe4 N28 O24 S20 -","4","1","","Struch, N.; Wagner, N.; Schnakenburg, G.; Weisbarth, R.; Klos, S.; Beck, J.; Lützen, A","Thiazolylimines as novel ligand-systems for spin-crossover centred near room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14023","14029","10.1039/c6dt02077a","","x-ray","1.54178","CuKα","","0.0542","0.0518","","","0.1393","0.1436","","","","","","1.053","","","","has coordinates","187124","2020-10-21","18:00:00",""
"7040386","20.9317","0.001","8.5496","0.0005","43.116","0.002","90","","90","","90","","7715.9","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H32 Cl2 Fe N10 O9 -","- C37 H32 Cl2 Fe N10 O9 -","- C296 H256 Cl16 Fe8 N80 O72 -","8","2","","Bartual-Murgui, C; Vela, S.; Roubeau, O.; Aromí, G","Designed intramolecular blocking of the spin crossover of an Fe(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14058","14062","10.1039/c6dt03047e","","","0.71073","MoKα","","0.1005","0.0769","","","0.1939","0.2125","","","","","","1.051","","","","has coordinates","188145","2020-10-21","18:00:00",""
"7040955","14.452","0.004","4.6313","0.0013","17.861","0.005","90","","90","","90","","1195.5","0.6","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","G2btm","","- C5 H14 N14 -","- C5 H14 N14 -","- C20 H56 N56 -","4","1","","Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai","Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17117","17122","10.1039/c6dt03271k","","","0.71073","MoKα","","0.0444","0.0396","","","0.0885","0.092","","","","","","1.002","","","","has coordinates","188197","2020-10-21","18:00:00",""
"7041336","29.1906","0.0014","9.8378","0.0005","13.043","0.0006","90","","90","","90","","3745.6","0.3","100","2","100","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C31 H42 B Cl3 F4 N2 O6 P2 Pd -","- C31 H42 B Cl3 F4.0003 N2 O6 P2 Pd -","- C124 H168 B4 Cl12 F16.0012 N8 O24 P8 Pd4 -","4","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0321","0.027","","","0.0558","0.058","","","","","","1.024","","","","has coordinates,has disorder","191681","2020-10-21","18:00:00",""
"7041344","11.9811","0.0008","12.8561","0.0011","12.8375","0.001","90","","90","","90","","1977.4","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H28 N O3 P Si -","- C18 H28 N O3 P Si -","- C72 H112 N4 O12 P4 Si4 -","4","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0436","0.0385","","","0.0926","0.0963","","","","","","1.044","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041446","17.6361","0.0008","16.5723","0.0007","15.9218","0.0008","90","","90","","90","","4653.5","0.4","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 Ga N2 -","- C24 H35 Ga N2 -","- C192 H280 Ga8 N16 -","8","2","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0744","0.044","","","0.1034","0.144","","","","","","1.107","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041449","17.7812","0.0005","16.4794","0.0005","16.1136","0.0004","90","","90","","90","","4721.7","0.2","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H33 In N2 -","- C24 H33 In N2 -","- C192 H264 In8 N16 -","8","2","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0842","0.0466","","","0.1175","0.1681","","","","","","1.117","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041453","17.7466","0.0007","16.51","0.0006","16.1725","0.0005","90","","90","","90","","4738.5","0.3","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 In N2 -","- C24 H35 In N2 -","- C192 H280 In8 N16 -","8","2","","Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe","Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","854","864","10.1039/c6dt04448d","","","0.71073","MoKα","","0.0474","0.0376","","","0.0884","0.1125","","","","","","1.094","","","","has coordinates","191630","2020-10-21","18:00:00",""
"7041558","24.071","0.003","14.2382","0.0017","17.677","0.002","90","","90","","90","","6058.4","1.3","98","","98","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C17 H23 Br4 Co N O12 P3 Ru -","- C17 H23 Br4 Co N O12 P3 Ru -","- C136 H184 Br32 Co8 N8 O96 P24 Ru8 -","8","2","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1186","1193","10.1039/c6dt04717c","","","0.71075","MoKα","","0.0397","0.0308","","","0.0557","0.0577","","","","","","1.06","","","","has coordinates","191614","2020-10-21","18:00:00",""
"7041732","10.9606","0.0007","19.4711","0.0013","21.7517","0.0015","90","","90","","90","","4642.1","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46.5 H54 Co O3 P3 Si -","- C44 H48 Co O3 P3 Si -","- C176 H192 Co4 O12 P12 Si4 -","4","1","","Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas","Syntheses of Transition Metal Methoxysiloxides","Dalton Trans.","2017","","","","","10.1039/C6DT04205H","","","0.71073","MoKα","","0.0517","0.0495","","","0.1279","0.1296","","","","","","1.119","","","","has coordinates,has disorder","190621","2020-10-21","18:00:00",""
"7042251","9.292","0.0008","17.633","0.0013","20.632","0.001","90","","90","","90","","3380.5","0.4","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H51 Al N P -","- C38 H51 Al N P -","- C152 H204 Al4 N4 P4 -","4","1","","Zijlstra, Harmen S.; Pahl, Jürgen; Penafiel, Johanne; Harder, Sjoerd","""Masked"" Lewis-acidity of an aluminum α-phosphinoamide complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3601","3610","10.1039/c7dt00318h","","","0.71073","MoKα","","0.0542","0.041","","","0.0973","0.1043","","","","","","1.119","","","","has coordinates","195103","2020-10-21","18:00:00",""
"7042796","21.7734","0.0005","13.2129","0.0004","24.984","0.0007","90","","90","","90","","7187.6","0.3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H58 Fe Li2 N4 P2 -","- C30 H58 Fe Li2 N4 P2 -","- C240 H464 Fe8 Li16 N32 P16 -","8","2","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines","Dalton Trans.","2017","","","","","10.1039/C7DT00941K","","","0.71073","MoKα","","0.0644","0.0468","","","0.135","0.1548","","","","","","0.841","","","","has coordinates,has disorder","195771","2020-10-21","18:00:00",""
"7042894","19.742","0.0017","7.5757","0.0005","15.8268","0.0013","90","","90","","90","","2367","0.3","100","","99.99","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22.988 H19 B F9.965 N2 Ni -","- C22.988 H19 B F9.964 N2 Ni -","- C91.952 H76 B4 F39.856 N8 Ni4 -","4","1","","Sondermann, Christina; Ringenberg, Mark R.","Tuning the overpotential of electrocatalytically active cyclopentadienylnickel complexes containing 1,4-diaza-1,3-butadienes (DAB) for proton reduction.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5143","5146","10.1039/c7dt00960g","","","0.71073","MoKα","","0.0835","0.0473","","","0.0772","0.0885","","","","","","1.0121","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7042970","30.8709","0.0002","33.9407","0.0003","19.3936","0.0001","90","","90","","90","","20320.2","0.2","153","2","153","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C114 H255 Bi4 N7 O75 Si2 W20 -","- C2 H3 Bi4 O75 Si2 W20 -","- C8 H12 Bi16 O300 Si8 W80 -","4","1","","Hanaya, Takumi; Suzuki, Kosuke; Sato, Rinta; Yamaguchi, Kazuya; Mizuno, Noritaka","Creation of bismuth‒tungsten oxide nanoclusters using lacunary polyoxometalates","Dalton Trans.","2017","","","","","10.1039/C7DT01587A","","","0.71069","MoKα","","0.0251","0.024","","","0.0781","0.0785","","","","","","1.065","","","","has coordinates","196725","2020-10-21","18:00:00",""
"7043003","21.301","0.001","10.594","0.001","13.04","0.001","90","","90","","90","","2942.6","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H0 Cl2 Cr N O3 Pd -","- C33 H29 Cl2 Cr N O3 Pd -","- C132 H116 Cl8 Cr4 N4 O12 Pd4 -","4","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71069","MoKα","","0.0423","0.0395","","","0.1002","0.1029","","","","","","1.049","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043055","13.3199","0.0006","11.382","0.0005","20.6691","0.0009","90","","90","","90","","3133.6","0.2","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C33 H28 Cl2 F3 N2 O0.5 P Rh -","- C33 H27 Cl2 F3 N2 O0.493 P Rh -","- C132 H108 Cl8 F12 N8 O1.972 P4 Rh4 -","4","1","","Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar","Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01446E","","","0.71073","MoKα","","0.0216","0.0207","","","0.0556","0.0563","","","","","","0.974","","","","has coordinates,has disorder","196815","2020-10-21","18:00:00",""
"7043139","9.78405","0.00018","10.07442","0.00018","55.2622","0.0012","90","","90","","90","","5447.12","0.18","120.01","0.1","120.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H15 F15 N4 O -","- C29 H15 F15 N4 O -","- C232 H120 F120 N32 O8 -","8","2","","Arnedo-Sánchez, Leticia; Nonappa, Nonappa; Bhowmik, Sandip; Hietala, Sami; Puttreddy, Rakesh; Lahtinen, Manu; De Cola, Luisa; Rissanen, Kari","Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine‒fluorine interactions","Dalton Trans.","2017","","","","","10.1039/C7DT00983F","","x-ray","1.54184","CuKα","","0.0377","0.0349","","","0.0929","0.0954","","","","","","1.057","","","","has coordinates","197014","2020-10-21","18:00:00",""
"7043206","24.3122","0.0014","8.5288","0.0006","10.4839","0.0008","90","","90","","90","","2173.9","0.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H18 Cl F6 N4 P -","- C20 H18 Cl F6 N4 P -","- C80 H72 Cl4 F24 N16 P4 -","4","1","","Visannagari, Ramakrishna; Nareddula, Dastagiri Reddy","Synthesis of Zwitterionic Palladium Complexes and Their Application as Catalysts in Cross-Coupling Reactions of Aryl, Heteroaryl and Benzyl Bromides with Organoboron Reagents in Neat Water","Dalton Trans.","2017","","","","","10.1039/C7DT01433C","","","0.71073","MoKα","","0.1311","0.0778","","","0.1981","0.2391","","","","","","1.047","","","","has coordinates","197191","2020-10-21","18:00:00",""
"7043564","25.31933","0.00015","9.23175","0.00006","17.8703","0.00015","90","","90","","90","","4177.03","0.05","106.7","0.2","106.7","0.2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C41 H43 B2 F8 N3 Ni P2 S -","- C41 H43 B2 F8 N3 Ni P2 S -","- C164 H172 B8 F32 N12 Ni4 P8 S4 -","4","1","","Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter","Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs","Dalton Trans.","2017","","","","","10.1039/C7DT01459G","","","1.54184","CuKα","","0.0236","0.0235","","","0.0625","0.0626","","","","","","1.046","","","","has coordinates,has disorder","288541","2023-12-24","01:19:15",""
"7044193","18.8901","0.0008","8.591","0.0004","22.5655","0.001","90","","90","0.0012","90","","3662","0.3","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C31 H27 F6 N9 O11 Ru S2 -","- C31 H27 F6 N9 O11 Ru S2 -","- C124 H108 F24 N36 O44 Ru4 S8 -","4","1","","Mane, Vishwanath shesherao; Kumbhar, Avinash; Thummel, Randolph P.","A ruthenium water oxidation catalyst containing a bipyridine glycoluril ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02485A","","","1.54178","CuKα","","0.0347","0.0333","","","0.0848","0.086","","","","","","1.017","","","","has coordinates,has disorder","200811","2020-10-21","18:00:00",""
"7044480","14.285","0.004","10.242","0.003","28.482","0.007","90","","90","","90","","4167","2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H31 B9 Ni Ru -","- C17 H31 B9 Ni Ru -","- C136 H248 B72 Ni8 Ru8 -","8","2","","Perekalin, Dmitry S.; Lyssenko, Konstantin A.; Kudinov, Alexander R.; Corsini, Maddalena; Fabrizi de Biani, Fabrizia","Synthesis of 13-vertex Dimetallacarboranes by Electrophilic Insertion into 12-vertex Ruthenacarboranes","Dalton Trans.","2017","","","","","10.1039/C7DT03504G","","","0.71073","MoKα","","0.0514","0.0419","","","0.09","0.0938","","","","","","1.142","","","","has coordinates,has disorder","202047","2020-10-21","18:00:00",""
"7044779","19.819","0.005","15.689","0.005","29.119","0.005","90","","90","","90","","9054","4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C76 H80 Cl6 N12 O2.5 P3 Pt3 -","- C76 H80 Cl6 N12 O2.5 P3 Pt3 -","- C304 H320 Cl24 N48 O10 P12 Pt12 -","4","1","","Marcos, Ismael; Ojea, Vicente; Vazquez-Garcia, Digna; Fernández Sánchez, Jesús José; Fernández, Alberto; Lopez-Torres, Margarita; Lado, Jorge; VILA, JOSE M","Preparation and characterization of terdentate [C,N,N] acetophenone and acetylpyridine hydrazone platinacycles. A DFT insight into the reaction mechanism","Dalton Transactions","2017","","","","","10.1039/C7DT03418K","","","0.71073","MoKα","","0.0775","0.0634","","","0.1443","0.1504","","","","","","1.158","","","","has coordinates,has disorder","203210","2020-10-21","18:00:00",""
"7044894","16.868","0.002","11.4944","0.0016","22.937","0.003","90","","90","","90","","4447.2","1","296","2","296.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C50 H40 N8 Ni2 O9 -","- C50 H40 N8 Ni2 O9 -","- C200 H160 N32 Ni8 O36 -","4","1","","Zhang, Xiu-Tang; Chen, Hong-Tai; Li, Bin; Liu, Guang-Zeng; Liu, Xin-Zheng","Assembly of a series of coordination polymers built from rigid a tetracarboxylate ligand and flexible bis(imidazole) linker: syntheses, structural diversities, luminescence sensing, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1202","1213","10.1039/c7dt03761a","","","0.71073","MoKα","","0.0557","0.0413","","","0.0876","0.0934","","","","","","1.014","","","","has coordinates,has disorder","229533","2020-10-21","18:00:00",""
"7045099","19.5733","0.0007","14.9548","0.0005","18.3132","0.0006","90","","90","","90","","5360.5","0.3","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H24 F N O2 Sn -","- C32 H24 F N O2 Sn -","- C256 H192 F8 N8 O16 Sn8 -","8","2","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.0462","0.0312","","","0.0646","0.0732","","","","","","1.079","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045359","11.2116","0.0002","17.7148","0.0003","18.6404","0.0003","90","","90","","90","","3702.19","0.11","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H56 Cl N3 Si3 -","- C33 H56 Cl N3 Si3 -","- C132 H224 Cl4 N12 Si12 -","4","1","","Xiong, Yun; Yao, Shenglai; Kostenko, Arseni; Driess, Matthias","An isolable β-diketiminato chlorosilylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2152","2155","10.1039/c8dt00121a","","","1.54184","CuKα","","0.0291","0.0285","","","0.075","0.0758","","","","","","1.038","","","","has coordinates,has disorder","229791","2020-10-21","18:00:00",""
"7045504","24.6983","0.0014","17.2605","0.001","24.7312","0.0014","90","","90","","90","","10543","1","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C43 H61 B Cl8 N4 O Si3 Ti -","- C43 H61 B Cl8 N4 O Si3 Ti -","- C344 H488 B8 Cl64 N32 O8 Si24 Ti8 -","8","2","","Paparo, A.; van Krüchten, F D; Spaniol, T. P.; Okuda, J.","Formate complexes of titanium(iv) supported by a triamido-amine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3530","3537","10.1039/c7dt04859a","","","0.71073","MoKα","","0.0818","0.0401","","","0.0661","0.0731","","","","","","0.675","","","","has coordinates,has disorder","229247","2020-10-21","18:00:00",""
"7045800","14.701","0.009","11.511","0.009","12.33","0.009","90","","90","","90","","2087","3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C15 H36 Au B2 Cl N P -","- C15 H36 Au B2 Cl N P -","- C60 H144 Au4 B8 Cl4 N4 P4 -","4","1","","Shang, Rong; Saito, Souta; Jimenez-Halla, J Oscar C; Yamamoto, Yohsuke","Facile reactions of gold(i) complexes with tri(tert-butyl)azadiboriridine.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5181","5188","10.1039/c8dt00697k","","","0.71073","MoKα","","0.035","0.0312","","","0.0739","0.0762","","","","","","1.085","","","","has coordinates","229857","2020-10-21","18:00:00",""
"7045883","17.9041","0.0008","10.1194","0.0003","18.2383","0.0006","90","","90","","90","","3304.4","0.2","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]silver(I) tetrafluoroborate","","- C12 H9 Ag B F4 N9 -","- C12 H9 Ag B F4 N9 -","- C96 H72 Ag8 B8 F32 N72 -","8","2","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0561","0.0471","","","0.116","0.1232","","","","","","1.041","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7045885","18.3941","0.0009","10.1003","0.0003","18.0884","0.0007","90","","90","","90","","3360.6","0.2","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]silver(I) perchlorate","","- C12 H9 Ag Cl N9 O4 -","- C12 H9 Ag Cl N9 O4 -","- C96 H72 Ag8 Cl8 N72 O32 -","8","2","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0791","0.0657","","","0.1698","0.184","","","","","","1.06","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7046269","23.4743","0.0008","13.0781","0.0004","20.2265","0.0007","90","","90","","90","","6209.5","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H30 N2 Ni O2 P2 -","- C38 H30 N2 Ni O2 P2 -","- C304 H240 N16 Ni8 O16 P16 -","8","2","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0287","0.0259","","","0.0611","0.0627","","","","","","1.045","","","","has coordinates","229898","2020-10-21","18:00:00",""
"7046403","15.2966","0.0002","12.6481","0.0002","21.0977","0.0005","90","","90","","90","","4081.83","0.13","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H68 N2 O2 Rb2 Si4 -","- C28 H68 N2 O2 Rb2 Si4 -","- C112 H272 N8 O8 Rb8 Si16 -","4","1","","Krieck, Sven; Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias","Straightforward synthesis of rubidium bis(trimethylsilyl)amide and complexes of the alkali metal bis(trimethylsilyl)amides with weakly coordinating 2,2,5,5-tetramethyltetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12562","12569","10.1039/c8dt01539b","","","0.71073","MoKα","","0.0551","0.0404","","","0.0647","0.0702","","","","","","1.104","","","","has coordinates","229917","2020-10-21","18:00:00",""
"7046411","8.2476","0.0014","5.4677","0.0009","23.949","0.004","90","","90","","90","","1080","0.3","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H24 O2 S2 -","- C26 H24 O2 S2 -","- C52 H48 O4 S4 -","2","0.5","","Patel, Parth; Parmar, Bhavesh; Kureshy, Rukhsana I.; Khan, Noor-Ul H; Suresh, Eringathodi","Amine-functionalized Zn(ii) MOF as an efficient multifunctional catalyst for CO<sub>2</sub> utilization and sulfoxidation reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8041","8051","10.1039/c8dt01297k","","","0.71073","MoKα","","0.0474","0.0464","","","0.1224","0.1232","","","","","","1.108","","","","has coordinates","229219","2020-10-21","18:00:00",""
"7046472","11.6387","0.0003","10.5076","0.0002","10.8961","0.0002","90","","90","","90","","1332.54","0.05","223","","223","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H21 Cl N2 Ni O -","- C11 H21 Cl N2 Ni O -","- C44 H84 Cl4 N8 Ni4 O4 -","4","1","","Asano, Erika; Hatayama, Yuki; Kurisu, Nobutaka; Ohtani, Atsufumi; Hashimoto, Toru; Kurihara, Youji; Ueda, Kazuyoshi; Ishihara, Shinji; Nagao, Hirotaka; Yamaguchi, Yoshitaka","Acetylacetonato-based pincer-type nickel(ii) complexes: synthesis and catalysis in cross-couplings of aryl chlorides with aryl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8003","8012","10.1039/c8dt01295d","","","0.71073","MoKα","","0.0211","0.0196","","","0.0518","0.053","","","","","","1.036","","","","has coordinates","229230","2020-10-21","18:00:00",""
"7046549","18.8226","0.0009","23.0418","0.001","19.003","0.0009","90","","90","","90","","8241.7","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C80.5 H117 N6 U3 -","- C80.5 H117 N6 U3 -","- C322 H468 N24 U12 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Kelley, Steven P.; Walensky, Justin R.","Four-electron reduction chemistry using a uranium(iii) phosphido complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8189","8192","10.1039/c8dt01406j","","","0.71073","MoKα","","0.0593","0.0388","","","0.0714","0.0793","","","","","","1.009","","","","has coordinates,has disorder","229664","2020-10-21","18:00:00",""
"7046644","15.913","0.003","10.981","0.002","15.309","0.003","90","","90","","90","","2675.1","0.9","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H33 K N2 O8 -","- C27 H33 K N2 O8 -","- C108 H132 K4 N8 O32 -","4","1","","Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Alkali metal complexes based on bisheterocyclomethanide ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12606","12612","10.1039/c8dt01678j","","","0.71073","MoKα","","0.044","0.0343","","","0.0693","0.0727","","","","","","1.074","","","","has coordinates,has disorder","229910","2020-10-21","18:00:00",""
"7046832","18.1832","0.0003","16.2529","0.0003","27.6162","0.0004","90","","90","","90","","8161.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C80 H68 Cl8 N4 O4 P4 Zn4 -","- C80 H68 Cl8 N4 O4 P4 Zn4 -","- C320 H272 Cl32 N16 O16 P16 Zn16 -","4","1","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.0996","0.0978","","","0.2683","0.2712","","","","","","1.049","","","","has coordinates","229179","2020-10-21","18:00:00",""
"7046899","20.1644","0.0011","13.5861","0.0007","15.4411","0.0008","90","","90","","90","","4230.2","0.4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14.5 H21 Cl3 N4 O3 Ru S2 -","- C14.5 H21 Cl3 N4 O3 Ru S2 -","- C116 H168 Cl24 N32 O24 Ru8 S16 -","8","2","","Biancalana, Lorenzo; Batchelor, Lucinda K.; Ciancaleoni, Gianluca; Zacchini, Stefano; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Versatile coordination of acetazolamide to ruthenium(ii) p-cymene complexes and preliminary cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9367","9384","10.1039/c8dt01555d","","","0.71073","MoKα","","0.0813","0.0695","","","0.1693","0.1768","","","","","","1.104","","","","has coordinates","229195","2020-10-21","18:00:00",""
"7046950","16.3437","0.0011","9.641","0.0008","30.959","0.003","90","","90","","90","","4878.2","0.7","150.01","0.1","150.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H39 Al N2 O -","- C24 H39 Al N2 O -","- C192 H312 Al8 N16 O8 -","8","2","","Dardun, Vincent; Escomel, Léon; Jeanneau, Erwann; Camp, Clément","On the alcoholysis of alkyl-aluminum(iii) alkoxy-NHC derivatives: reactivity of the Al-carbene Lewis pair versus Al-alkyl.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10429","10433","10.1039/c8dt01498a","","x-ray","0.71073","MoKα","","0.1212","0.102","","0.2342","0.1918","0.2342","","","","","","1.0011","","","","has coordinates","229842","2020-10-21","18:00:00",""
"7047348","8.9661","0.0007","6.7936","0.0006","18.1976","0.0017","90","","90","","90","","1108.45","0.17","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H8 N10 O6 -","- C4 H8 N10 O6 -","- C16 H32 N40 O24 -","4","1","","Ma, Jinchao; Cheng, Guangbin; Ju, Xuehai; Yi, Zhenxin; Zhu, Shunguan; Zhang, Zaichao; Yang, Hongwei","Amino-nitramino functionalized triazolotriazines: a good balance between high energy and low sensitivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14483","14490","10.1039/c8dt03126f","","","0.71073","MoKα","","0.1092","0.0707","","","0.1648","0.1894","","","","","","1.096","","","","has coordinates,has disorder","229351","2020-10-21","18:00:00",""
"7047435","12.131","0.0004","8.8134","0.0003","29.6697","0.0014","90","","90","","90","","3172.1","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H15 Cl Cu N2 O -","- C18 H15 Cl Cu N2 O -","- C144 H120 Cl8 Cu8 N16 O8 -","8","2","","Barwiolek, Magdalena; Szlyk, Edward; Kozakiewicz, Anna; Muziol, Tadeusz; Bieńko, Alina; Jezierska, Julia","X-ray structure and magnetic and fluorescence characteristics of new Cu(ii) complexes with Schiff bases derived from 2-(2-aminoethyl)pyridine and 2-hydroxy-1-naphthaldehyde; morphology and fluorescence of their thin films.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13902","13912","10.1039/c8dt03208d","","","0.71073","MoKα","","0.0451","0.033","","","0.0804","0.088","","","","","","1.064","","","","has coordinates","229503","2020-10-21","18:00:00",""
"7047500","17.03","0.002","10.4822","0.0013","16.225","0.002","90","","90","","90","","2896.4","0.6","100.15","","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H43 B Cl N Si -","- C31 H43 B Cl N Si -","- C124 H172 B4 Cl4 N4 Si4 -","4","1","","Dhara, Debabrata; Vijayakanth, Thangavel; Nayak, Mithilesh Kumar; Kalita, Pankaj; Boomishankar, Ramamoorthy; Yildiz, Cem Burak; Chandrasekhar, Vadapalli; Jana, Anukul","Contrasting reactivity of (boryl)(aryl)lithium-amide with electrophiles: N- vs. p-aryl-C-nucleophilic substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14411","14415","10.1039/c8dt03201g","","","0.71073","MoKα","","0.041","0.0335","","","0.0815","0.0854","","","","","","1.036","","","","has coordinates,has disorder","229336","2020-10-21","18:00:00",""
"7047640","25.118","0.0018","5.8625","0.0004","15.0463","0.0016","90","","90","","90","","2215.6","0.3","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C108 H80 B4 N4 O20 -","- C108 H80 B4 N4 O20 -","- C108 H80 B4 N4 O20 -","1","0.25","","Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng","Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15002","15008","10.1039/c8dt03374a","","","1.54178","CuKα","","0.0715","0.0482","","","0.097","0.1083","","","","","","1.014","","","","has coordinates","229482","2020-10-21","18:00:00",""
"7047944","22.556","0.005","12.003","0.002","16.456","0.003","90","","90","","90","","4455.3","1.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H58 Co N6 O2 -","- C52 H58 Co N6 O2 -","- C208 H232 Co4 N24 O8 -","4","1","","Rajput, Amit; Sharma, Anuj K.; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabi","Six-coordinate [CoIII(L)2]z (z = 1‒, 0, 1+) complexes of an azo-appended o-aminophenolate in amidate(2‒) and iminosemiquinonate π-radical (1‒) redox-levels: existence of valence-tautomerism","Dalton Transactions","2018","","","","","10.1039/C8DT03257B","","","0.71073","MoKα","","0.0619","0.0491","","","0.1056","0.1143","","","","","","1.023","","","","has coordinates,has disorder","211772","2020-10-21","18:00:00",""
"7047983","14.3144","0.001","12.112","0.0009","12.1179","0.001","90","","90","","90","","2101","0.3","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H37 N P2 -","- C20 H37 N P2 -","- C80 H148 N4 P8 -","4","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","1.54186","CuKα","","0.0668","0.0602","","","0.162","0.1785","","","","","","1.107","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7048183","25.1437","0.0008","10.9915","0.0004","7.9724","0.0003","90","","90","","90","","2203.31","0.13","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H32 B F2 N -","- C27 H32 B F2 N -","- C108 H128 B4 F8 N4 -","4","1","","Lam, Jolie; Sampaolesi, Susanna; LaFortune, James H. W.; Coe, Jotham W.; Stephan, Douglas W.","Design considerations for chiral frustrated Lewis pairs: B/N FLPs derived from 3,5-bicyclic aryl piperidines.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","133","141","10.1039/c8dt04070b","","","1.54178","CuKα","","0.0367","0.0347","","","0.0936","0.096","","","","","","1.036","","","","has coordinates","223951","2020-10-21","18:00:00",""
"7048248","11.2213","0.0003","12.412","0.0003","6.7073","0.0002","90","","90","","90","","934.18","0.04","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H6 B Cl3 F N -","- C6 H6 B Cl3 F N -","- C24 H24 B4 Cl12 F4 N4 -","4","1","","Hahn, Jennifer; Krieg, Matthias; Keck, Constanze; Maichle-Mössmer, Cäcilia; Fink, Reinhold F.; Bettinger, Holger F.","Thermal dehydrochlorination in the 4-fluoroaniline-trichloroborane system: identification of reactive intermediates involved in the formation of B,B',B''-trichloro-N,N',N''-tri((4-fluoro)phenyl)borazine.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17304","17316","10.1039/c8dt03954b","","","0.71073","MoKα","","0.0275","0.0258","","","0.0629","0.0642","","","","","","1.047","","","","has coordinates","229726","2020-10-21","18:00:00",""
"7048325","16.1348","0.0013","37.674","0.003","23.0683","0.0019","90","","90","","90","","14022","2","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C96 H184 Ag4 Cl8 N16 P8 Re4 -","- C96 H184 Ag4 Cl8 N16 P8 Re4 -","- C384 H736 Ag16 Cl32 N64 P32 Re16 -","4","1","","Tadokoro, Makoto; Isogai, Kazuo; Harada, Shohei; Kouchi, Takaya; Yamane, Takeshi; Sugaya, Tomoaki; Kamebuchi, Hajime","Evidence of proton-coupled mixed-valency by electrochemical behavior on transition metal complex dimers bridged by two Ag<sup>+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","535","546","10.1039/c8dt03962c","","","0.71073","MoKα","","0.1034","0.0528","","","0.1003","0.11","","","","","","0.936","","","","has coordinates","224121","2020-10-21","18:00:00",""
"7048787","21.073","0.003","14.264","0.002","16.949","0.003","90","","90","","90","","5094.6","1.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H22 N2 O2 Se -","- C34 H22 N2 O2 Se -","- C272 H176 N16 O16 Se8 -","8","2","","Kadu, Rahul; Batabyal, Monojit; Kadyan, Heena; Koner, Apurba Lal; Kumar, Sangit","An efficient copper-catalyzed synthesis of symmetrical bis(N-arylbenzamide) selenides and their conversion to hypervalent spirodiazaselenuranes and hydroxy congeners.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7249","7260","10.1039/c8dt04832k","","","0.71073","MoKα","","0.0962","0.0518","","","0.0898","0.1067","","","","","","0.959","","","","has coordinates","224443","2020-10-21","18:00:00",""
"7049015","8.8025","0.0002","16.3713","0.0004","20.1951","0.0005","90","","90","","90","","2910.28","0.12","180","2","180","2","","","","","","","synthesis as described","7","P c a 21","P 2c -2ac","29","","","","- C21 H36 Cl3 N2 Ni O10 Y -","- C21 H36 Cl3 N2 Ni O10 Y -","- C84 H144 Cl12 N8 Ni4 O40 Y4 -","4","1","","Costes, Jean-Pierre; Mallet-Ladeira, Sonia; Vendier, Laure; Maurice, Rémi; Wernsdorfer, Wolfgang","Influence of ancillary ligands and solvents on the nuclearity of Ni-Ln complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3404","3414","10.1039/c9dt00370c","","x-ray","0.71073","MoKα","","0.024","0.0199","","","0.0377","0.038","","","","","","0.978","","","","has coordinates","223813","2020-10-21","18:00:00",""
"7049016","8.8734","0.0003","16.4237","0.0007","20.2362","0.0008","90","","90","","90","","2949.1","0.2","180","2","180","2","","","","","","","synthesis as described","7","P c a 21","P 2c -2ac","29","","","","- C21 H36 Cl3 Gd N2 Ni O10 -","- C21 H36 Cl3 Gd N2 Ni O10 -","- C84 H144 Cl12 Gd4 N8 Ni4 O40 -","4","1","","Costes, Jean-Pierre; Mallet-Ladeira, Sonia; Vendier, Laure; Maurice, Rémi; Wernsdorfer, Wolfgang","Influence of ancillary ligands and solvents on the nuclearity of Ni-Ln complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3404","3414","10.1039/c9dt00370c","","","0.71073","MoKα","","0.0222","0.0185","","","0.0363","0.0372","","","","","","0.99","","","","has coordinates","223813","2020-10-21","18:00:00",""
"7049261","12.7553","0.0006","16.3267","0.0008","14.7234","0.0007","90","","90","","90","","3066.2","0.3","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C31 H30 Cl F6 Ir N3 O P -","- C31 H30 Cl F6 Ir N3 O P -","- C124 H120 Cl4 F24 Ir4 N12 O4 P4 -","4","1","","Huang, Shuang; Hong, Xi; Cui, He-Zhen; Zhou, Quan; Lin, Yue-Jian; Hou, Xiu-Feng","N-Methylation of ortho-substituted aromatic amines with methanol catalyzed by 2-arylbenzo[d]oxazole NHC-Ir(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5072","5082","10.1039/c9dt00218a","","","1.34138","GaKα","","0.0375","0.0341","","","0.0861","0.0889","","","","","","1.058","","","","has coordinates,has disorder","224392","2020-10-21","18:00:00",""
"7049477","15.264","0.0011","16.497","0.0015","16.9821","0.0019","90","","90","","90","","4276.3","0.7","150","1","150","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H80 Mg2 N4 -","- C42 H80 Mg2 N4 -","- C168 H320 Mg8 N16 -","4","1","","Chlupatý, Tomáš; Bílek, Michal; Merna, Jan; Brus, Jiří; RůŽičková, Zdeňka; Strassner, Thomas; RůŽička, Aleš","The addition of Grignard reagents to carbodiimides. The synthesis, structure and potential utilization of magnesium amidinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5335","5342","10.1039/c9dt00880b","","","0.71073","MoKα","","0.0982","0.067","","","0.1534","0.1814","","","","","","1.162","","","","has coordinates","224193","2020-10-21","18:00:00",""
"7049727","18.1072","0.0002","19.7437","0.0003","21.508","0.0003","90","","90","","90","","7689.18","0.18","120.01","0.1","120.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H118 N6 Si4 Zn2 -","- C76 H118 N6 Si4 Zn2 -","- C304 H472 N24 Si16 Zn8 -","4","1","","Webb, Dylan; Fulton, J. Robin","Utilising an anilido-imino ligand to stabilise zinc-phosphanide complexes: reactivity and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8094","8105","10.1039/c9dt00681h","","x-ray","1.54184","CuKα","","0.0262","0.0248","","","0.065","0.066","","","","","","1.041","","","","has coordinates","224440","2020-10-21","18:00:00",""
"7049735","12.8551","0.0012","14.8107","0.0011","13.3604","0.0009","90","","90","","90","","2543.7","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis-tert-butylthiocyanatobismuthan","","- C18 H36 Bi2 N2 S2 -","- C18 H36 Bi2 N2 S2 -","- C72 H144 Bi8 N8 S8 -","4","1","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","","0.71073","MoKα","","0.0422","0.0319","","","0.0693","0.0711","","","","","","0.964","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7049841","22.2603","0.0007","9.1943","0.0003","16.4089","0.0005","90","","90","","90","","3358.37","0.18","100","2","100","2","","","","","","","synthetical product","6","P c a 21","P 2c -2ac","29","tetra(n-butyl)ammonium trichloro-[2-(4,4-dimethyl-4,5-di-hydro-1,3-oxazol-2-yl)-6-methoxyphenolato-N,O]-oxo-rhenate(V)","tetra(n-butyl)ammonium trichloro-[2-(4,4-dimethyl-4,5-di-hydro-1,3-oxazol-2-yl)-6-methoxyphenolato-N,O]-oxo-rhenate(V)","","- C28 H50 Cl3 N2 O4 Re -","- C28 H50 Cl3 N2 O4 Re -","- C112 H200 Cl12 N8 O16 Re4 -","4","1","","Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C","Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8106","8115","10.1039/c9dt01352k","","","0.71073","MoKα","","0.0177","0.0154","","","0.0354","0.0361","","","","","","1.021","","","","has coordinates","224425","2020-10-21","18:00:00",""
"7049918","12.002","0.0002","13.7944","0.0002","13.2815","0.0002","90","","90","","90","","2198.89","0.06","180","2","180","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl F8 N2 P Ru -","- C20 H20 Cl F8 N2 P Ru -","- C80 H80 Cl4 F32 N8 P4 Ru4 -","4","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","0.71069","MoKα","","0.0319","0.0272","","","0.0694","0.0705","","","","","","0.997","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049921","16.0681","0.0005","8.0666","0.0003","15.9972","0.0005","90","","90","","90","","2073.48","0.12","180","2","180","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H12 Cl F12 N2 P Ru -","- C18 H12 Cl F12 N2 P Ru -","- C72 H48 Cl4 F48 N8 P4 Ru4 -","4","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","0.71073","MoKα","","0.0608","0.0414","","","0.0738","0.0817","","","","","","1.069","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049923","12.3683","0.0003","13.3931","0.0003","13.3561","0.0003","90","","90","","90","","2212.44","0.09","180","2","180","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl F8 N2 P Ru -","- C20 H20 Cl F8 N2 P Ru -","- C80 H80 Cl4 F32 N8 P4 Ru4 -","4","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","1.54178","CuKα","","0.0216","0.0193","","","0.044","0.0451","","","","","","1.05","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7050378","20.5271","0.0004","8.3909","0.0001","16.6116","0.0002","90","","90","","90","","2861.2","0.07","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,4,7,10,13,16-hexaazoniacyclooctadecane-tetra(hydrogensulfate)-sulfate- monohydrate","","- C12 H42 N6 O21 S5 -","- C12 H42 N6 O21 S5 -","- C48 H168 N24 O84 S20 -","4","1","","Leone Spiccia; Milton T. W. Hearn; Andrew C. Warden; Mark Warren","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Interactions of Sulfate and Dithionate with Protonated Forms of [18]aneN6","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.074","0.0448","","","0.086","0.0951","","","","","","0.98","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050551","16.6296","0.0017","3.6679","0.0003","10.0529","0.001","90","","90","","90","","613.18","0.1","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Fumaramidioxime","","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C16 H32 N16 O8 -","4","1","","Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen","Hydrogen bond patterns in aromatic and aliphatic dioximes","New J. Chem.","2003","27","7","1084","1094","10.1039/b301045g","","","0.71073","MoKα","","0.0423","0.0368","","","0.0902","0.094","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050652","32.363","0.008","10.367","0.003","16.838","0.004","90","","90","","90","","5649","3","125","2","125","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C46 H55 Au2 Cl4 Ir2 N4 O8 P2 S4 -","- C46 H55 Au2 Cl4 Ir2 N4 O8 P2 S4 -","- C184 H220 Au8 Cl16 Ir8 N16 O32 P8 S16 -","4","1","","Aucott, Stephen M.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","N-Metallation of MS2N2 rings. X-ray crystal structures of [(?5-C5Me5)Ir(S2N2)Au(PPh3)][ClO4], [{(?5-C5Me5)Ir(S2N2)Au}2(�2-dppm)][ClO4]2 and [Au(dppeS-P)Cl]2","New Journal of Chemistry","2003","27","10","1466","","10.1039/b306847a","","","0.71073","MoKα","","0.0282","0.0263","","","0.0637","0.0644","","","","","","0.958","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050667","19.4987","0.0007","10.0624","0.0003","10.9104","0.0003","90","","90","","90","","2140.66","0.12","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1,5,9,13-tetrathiacyclohexadecane-tetrabromotin(IV)","1,5,9,13-tetrathiacyclohexadecane-tetrabromotin(IV)","","- C12 H24 Br4 S4 Sn -","- C12 H24 Br4 S4 Sn -","- C48 H96 Br16 S16 Sn4 -","4","1","","Levason, William; Matthews, Melissa L.; Patel, Rina; Reid, Gillian; Webster, Michael","Unusual structural variations within a family of thioether macrocyclic complexes. Tin(iv) halide adducts of [12]-, [14]- and [16]-aneS4","New Journal of Chemistry","2003","27","12","1784","","10.1039/b307863a","","","0.71073","MoKα","","0.0626","0.0535","","","0.1314","0.138","","","","","","1.039","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050687","15.2858","0.0002","8.082","","15.0421","0.0002","90","","90","","90","","1858.3","0.03","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H32 Br2 Cu N4 -","- C14 H32 Br2 Cu N4 -","- C56 H128 Br8 Cu4 N16 -","4","1","","Kickelbick, Guido; Pintauer, Tomislav; Matyjaszewski, Krzysztof","Structural comparison of CuII complexes in atom transfer radical polymerization","New Journal of Chemistry","2002","26","4","462","","10.1039/b105454f","","","0.71073","MoKα","","0.0541","0.0357","","","0.0704","0.0783","","","","","","0.982","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050688","15.4552","0.0004","8.0865","0.0002","14.6116","0.0003","90","","90","","90","","1826.14","0.08","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H23 Br2 Cu N4 -","- C12 H23 Br2 Cu N4 -","- C48 H92 Br8 Cu4 N16 -","4","1","","Kickelbick, Guido; Pintauer, Tomislav; Matyjaszewski, Krzysztof","Structural comparison of CuII complexes in atom transfer radical polymerization","New Journal of Chemistry","2002","26","4","462","","10.1039/b105454f","","","0.71073","MoKα","","0.0377","0.0358","","","0.0988","0.1002","","","","","","1.126","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050835","10.939","0.0003","12.947","0.0002","11.114","0.0004","90","","90","","90","","1574.05","0.08","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H14 Mn N5 O2 -","- C16 H14 Mn N5 O2 -","- C64 H56 Mn4 N20 O8 -","4","1","","Anangamohan Panja; Nizamuddin Shaikh; Pavel Vojtíšek; Song Gao; Pradyot Banerjee","Synthesis, crystal structures and magnetic properties of 1D polymeric [MnIII(salen)N3] and [MnIII(salen)Ag(CN)2] complexes","New J. Chem.","2002","26","8","1025","1028","10.1039/b200384h","","","0.7107","MoKα","","0.0366","0.0295","","","0.0693","0.0727","","","","","","1.061","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051153","10.849","0.002","3.7618","0.0009","9.863","0.002","90","","90","","90","","402.5","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H2 Cl N3 -","- C2 H2 Cl N3 -","- C8 H8 Cl4 N12 -","4","1","","Claramunt, Rosa M.; Lopez, Concepcion; Garcia, M. Angeles; Otero, M. Dolores; Torres, M. Rosario; Pinilla, Elena; Alarcon, Sergio H.; AlKorta, Ibon; Elguero, Jose","The structure of halogeno-1,2,4-triazoles in the solid state and in solution.","New Journal of Chemistry","2001","","","","","10.1039/b103405g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051207","12.698","0.002","10.1097","0.0014","15.698","0.005","90","","90","","90","","2015.2","0.8","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C10 H28 F6 N5 Ni O2 P -","- C10 H28 F6 N5 Ni O2 P -","- C40 H112 F24 N20 Ni4 O8 P4 -","4","1","","Montserrat Monfort; Inmaculada Resino; Joan Ribas; Xavier Solans; Mercé Font-Bardia","Synthesis of N3−/SCN− bridged polynuclear complexes of nickel(II) using N,N,N'-trimethylethane-1,2-diamine as a blocking ligand: low temperature magnetic study and single crystal structure of [Ni(μ1,1-N3)(μ1,3-N3)(N,N,N'-Me3en)]n","New J. Chem.","2001","25","12","1577","1582","10.1039/b105770g","","","0.71069","MoKα","","0.0434","0.0372","","0.1184","0.0945","","","","1.057","1.078","1.078","","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051223","11.717","0.004","11.741","0.006","10.478","0.007","90","","90","","90","","1441.5","1.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H19 Ag N4 O3 -","- C13 H19 Ag N4 O3 -","- C52 H76 Ag4 N16 O12 -","4","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.0612","0.0523","","","0.1319","0.1404","","","","","","1.03","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051396","14.831","0.002","16.848","0.004","5.4962","0.0014","90","","90","","90","","1373.3","0.5","100","","100","","","","","","","","","3","P c a 21","P 2c -2ac","29","4-methylpyrazole","","","- C4 H6 N2 -","- C4 H6 N2 -","- C48 H72 N24 -","12","3","","Richard Goddard; Rosa M. Claramunt; Consuelo Escolástico; José Elguero","Structure of NH-Pyrazoles Bearing Only C-Methyl Substituents: 4-Methylpyrazole is a Hydrogen-Bonded Trimer in the Solid","New Journal of Chemistry","1999","","","","","10.1039/a808186g","","","","","","","0.0364","","","0.0964","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051543","10.1222","0.0013","13.6129","0.0013","16.5563","0.0015","90","","90","","90","","2281.3","0.4","160","2","160","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H34 B N6 Nb -","- C21 H34 B N6 Nb -","- C84 H136 B4 N24 Nb4 -","4","1","","Teuma, Emmanuelle; Etienne, Michel; Donnadieu, Bruno; McGrady, G. Sean","Synthesis and structural characterisation of [TpMe2Nb(CH3)2(CH3CCCH3)] and [TpMe2NbCl(CH3)(CH3CCCH3)]: is there an intrinsic α-agostic interaction in alkyl complexes of the [TpMe2Nb(alkyne)] moiety?","New Journal of Chemistry","2006","30","3","409","","10.1039/b514820k","","","0.71073","MoKα","","0.0404","0.0318","","","0.0745","0.0776","","","","","","1.002","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051544","10.0681","0.0014","13.6445","0.0012","16.4959","0.0013","90","","90","","90","","2266.1","0.4","160","2","160","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H31 B Cl N6 Nb -","- C20 H31 B Cl N6 Nb -","- C80 H124 B4 Cl4 N24 Nb4 -","4","1","","Teuma, Emmanuelle; Etienne, Michel; Donnadieu, Bruno; McGrady, G. Sean","Synthesis and structural characterisation of [TpMe2Nb(CH3)2(CH3CCCH3)] and [TpMe2NbCl(CH3)(CH3CCCH3)]: is there an intrinsic α-agostic interaction in alkyl complexes of the [TpMe2Nb(alkyne)] moiety?","New Journal of Chemistry","2006","30","3","409","","10.1039/b514820k","","","0.71073","MoKα","","0.0863","0.0473","","","0.0892","0.1005","","","","","","0.942","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051798","13.2221","0.0009","12.4315","0.0008","25.7337","0.0019","90","","90","","90","","4229.9","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H26 O2 S3 -","- C21 H26 O2 S3 -","- C168 H208 O16 S24 -","8","2","","Kim, Hyun Jee; Yoon, Il; Lee, So Young; Choi, Kyu Seong; Lee, Shim Sung","Exo-coordinated discrete and continuous supramolecular silver(i) complexes with thiaoxa-macrocycles","New Journal of Chemistry","2008","32","2","258","","10.1039/b710581a","","","0.71073","MoKα","","0.1151","0.0467","","","0.1011","0.1235","","","","","","1.014","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7052037","15.2406","0.0008","10.5921","0.0006","48.038","0.003","90","","90","","90","","7754.8","0.8","100","2","100","2","","","","","","","synthesis as described","6","P c a 21","P 2c -2ac","29","","","","- C34 H53 N3 O Si2 Zn -","- C34 H53 N3 O Si2 Zn -","- C272 H424 N24 O8 Si16 Zn8 -","8","2","","Zheng, Zhanjiang; Zhao, Gang; Fablet, Rémy; Bouyahyi, Miloud; Thomas, Christophe M.; Roisnel, Thierry; Casagrande Jr, Osvaldo; Carpentier, Jean-François","Zinc and enolato-magnesium complexes based on bi-, tri- and tetradentate aminophenolate ligands","New Journal of Chemistry","2008","32","12","2279","","10.1039/b812754a","","x-ray","0.71073","MoKα","","0.1008","0.0843","","","0.2289","0.2364","","","","","","1.179","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052056","19.785","0.001","11.7253","0.0004","19.6134","0.0007","90","","90","","90","","4550","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H78 N4 O7 Ti2 -","- C38 H78 N4 O7 Ti2 -","- C152 H312 N16 O28 Ti8 -","4","1","","Day, Joanna K.; Baghurst, Rebecca E.; Strevens, Robert R.; Light, Mark E.; Hursthouse, Michael B.; Stengel, Bruno F.; Fallis, Ian A.; Aldridge, Simon","Influence of ligand backbone flexibility in group 4 metal complexes of tetradentate mixed tertiary amine/alkoxide ligands","New Journal of Chemistry","2007","31","1","135","","10.1039/b608680b","","","0.71073","MoKα","","0.1033","0.0607","","","0.1248","0.141","","","","","","1.008","","","","has coordinates,has disorder","180074","2020-10-21","18:00:00",""
"7052147","24.784","0.004","9.6757","0.0017","10.0867","0.0018","90","","90","","90","","2418.8","0.7","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane 4-aminobenzoate trihydrate","1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane 4-aminobenzoate trihydrate","","- C19 H38 N2 O10 -","- C19 H38 N2 O10 -","- C76 H152 N8 O40 -","4","1","","Moulton, Brian; Luisi, Brian S.; Fonari, Marina S.; Basok, Stepan S.; Ganin, Eduard V.; Kravtsov, Victor Ch.","Supramolecular associates of para-aminobenzoic acid with N- and N,O-heterocyclic molecules","New Journal of Chemistry","2007","31","4","561","","10.1039/b618207k","","","","MoKα","","0.0575","0.0424","","","0.0848","0.0913","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052252","20.4255","0.0016","11.3207","0.001","22.212","0.0015","90","","90","","90","","5136.1","0.7","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis(nitrato-O,O')bis(bis(diphenylphosphinoyl)methane)calcium(II)","","- C50 H44 Ca N2 O10 P4 -","- C50 H44 Ca N2 O10 P4 -","- C200 H176 Ca4 N8 O40 P16 -","4","1","","Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates","New Journal of Chemistry","2006","30","5","782","","10.1039/b600301j","","","0.71073","MoKα","","0.1165","0.0843","","","0.2133","0.2361","","","","","","1.041","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052412","14.0448","0.0012","8.5444","0.0007","15.8837","0.0014","90","","90","","90","","1906.1","0.3","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 Cl2 O2 Re -","- C19 H21 Cl2 O2 Re -","- C76 H84 Cl8 O8 Re4 -","4","1","","Alvaro Aballay; Eric Clot; Odile Eisenstein; Maria Teresa Garland; Fernando Godoy; A. Hugo Klahn; Juan Carlos Muñoz; Beatriz Oelckers","Selectivity in C?Cl bond activation of dichloroarenes by photogenerated Cp*Re(CO)2: combined experimental and DFT studies","New Journal of Chemistry","2005","29","1","226","","10.1039/b410265g","","","0.71073","MoKα","","0.0373","0.0287","","","0.0546","0.0579","","","","","","0.985","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052531","9.027","0.0018","6.23","0.0012","22.198","0.004","90","","90","","90","","1248.4","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-(((1-hydroxycyclohexyl)methylimino)methyl) phenol","2-{[(1-hydroxycyclohexyl)methylimino]methyl} phenol","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.0869","0.0532","","","0.1095","0.1413","","","","","","1.165","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052745","20.827","0.002","8.7404","0.001","16.227","0.0018","90","","90","","90","","2953.9","0.5","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H38 B F6 Fe P -","- C32 H38 B F6 Fe P -","- C128 H152 B4 F24 Fe4 P4 -","4","1","","Cao, Duxia; Zhao, Haiyan; Gabbaï, François P.","A sandwich complex of trimesitylborane Mes3B: synthesis, characterization and anion binding properties of Mes2B[(η6-Mes)FeCp]+","New Journal of Chemistry","2011","35","10","2299","","10.1039/c1nj20290a","","","0.71073","MoKα","","0.0554","0.0448","","","0.1041","0.1107","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7052759","8.6141","0.0002","12.4476","0.0002","22.262","0.0004","90","","90","","90","","2387.04","0.08","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C25 H20 Br0.66 Cl0.34 N O4 Pd S2 -","- C25 H20 Br0.663 Cl0.337 N O4 Pd S2 -","- C100 H80 Br2.652 Cl1.348 N4 O16 Pd4 S8 -","4","1","","Pijnenburg, Niels J. M.; Lutz, Martin; Siegler, Maxime A.; Spek, Anthony; van Koten, Gerard; Gebbink, Robertus J. M. Klein","The role of the dendritic support in the catalytic performance of peripheral pincer Pd-complexes","New Journal of Chemistry","2011","35","10","2356","","10.1039/c1nj20366e","","","0.71073","MoKα","","0.0374","0.0296","","","0.0558","0.0578","","","","","","1.133","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052830","8.841","0.0018","9.053","0.0018","8.63","0.0017","90","","90","","90","","690.7","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(2-pyridyl)amino-1-ethanol","","- C7 H10 N2 O -","- C7 H10 N2 O -","- C28 H40 N8 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.71073","synchrotron","","0.0443","0.0435","","","0.1213","0.1231","","","","","","1.078","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052899","14.8569","0.0005","5.4919","0.0003","23.4876","0.001","90","","90","","90","","1916.41","0.15","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H7 Cl F5 N -","- C8 H7 Cl F5 N -","- C64 H56 Cl8 F40 N8 -","8","2","","Giese, Michael; Albrecht, Markus; Wiemer, Katharina; Valkonen, Arto; Rissanen, Kari","Controlling the position of anions relative to a pentafluorophenyl group","New Journal of Chemistry","2012","36","6","1368","","10.1039/c2nj40089h","","","0.71073","MoKα","","0.0622","0.0462","","","0.1098","0.1201","","","","","","1.048","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7053015","10.6147","0.0005","11.5927","0.0005","9.2553","0.0004","90","","90","","90","","1138.89","0.09","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(1H-indol-3-yl)(pyridin-2-yl)methanol","(1H-indol-3-yl)(pyridin-2-yl)methanol","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.0455","0.0388","","","0.0944","0.1022","","","","","","1.06","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053250","23.887","0.005","17.151","0.003","12.429","0.003","90","","90","","90","","5092","1.9","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C51 H72 O8 -","- C51 H70 O8 -","- C204 H280 O32 -","4","1","","Gruber, Tobias; Gruner, Margit; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Conformational behaviour and first crystal structures of a calix[4]arene featuring a laterally positioned carboxylic acid function in unsolvated and solvent-complexed forms","New Journal of Chemistry","2010","34","2","250","","10.1039/b904489b","","","0.71073","MoKα","","0.1028","0.0791","","","0.2169","0.2411","","","","","","1.054","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053251","23.9696","0.0006","17.1752","0.0005","12.4147","0.0003","90","","90","","90","","5110.9","0.2","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C55 H78 O8 -","- C55 H78 O8 -","- C220 H312 O32 -","4","1","","Gruber, Tobias; Gruner, Margit; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Conformational behaviour and first crystal structures of a calix[4]arene featuring a laterally positioned carboxylic acid function in unsolvated and solvent-complexed forms","New Journal of Chemistry","2010","34","2","250","","10.1039/b904489b","","","0.71073","MoKα","","0.0634","0.0566","","","0.147","0.1619","","","","","","1.044","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053254","20.631","0.004","7.1465","0.0014","28.309","0.005","90","","90","","90","","4173.9","1.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1:2 complex of 1,4-di(bis(4'-hydroxyphenyl)methyl)benzene and 4,4'-bipyridine-N,N'-dioxide","1:2 complex of 1,4-di[bis(4'-hydroxyphenyl)methyl]benzene and 4,4'-bipyridine-N,N'-dioxide","","- C52 H42 N4 O8 -","- C52 H42 N4 O8 -","- C208 H168 N16 O32 -","4","1","","Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini","Supramolecular networks of a H-shaped aromatic phenol host","New Journal of Chemistry","2010","34","4","623","","10.1039/b9nj00234k","","","0.71073","MoKα","","0.1569","0.1249","","","0.2726","0.2957","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054143","11.996","0.003","6.0475","0.0013","11.156","0.002","90","","90","","90","","809.3","0.3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H4 B F3 N2 O3 -","- C5 H4 B F3 N2 O3 -","- C20 H16 B4 F12 N8 O12 -","4","1","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Lewis acid effects on donor‒acceptor associations and redox reactions: ternary complexes of heteroaromatic N-oxides with boron trifluoride and organic donors","New Journal of Chemistry","2009","33","11","2317","","10.1039/b9nj00205g","","","0.71073","MoKα","","0.0798","0.0493","","","0.0919","0.1057","","","","","","1.004","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054170","7.1798","0.0008","45.453","0.004","5.8879","0.0004","90","","90","","90","","1921.5","0.3","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,5-bis(p-carbomethoxyphenylethynyl)thiophene","","- C24 H16 O4 S -","- C24 H16 O4 S -","- C96 H64 O16 S4 -","4","1","","Siddle, Jamie S.; Ward, Richard M.; Collings, Jonathan C.; Rutter, Simon R.; Porrés, Laurent; Applegarth, Lucas; Beeby, Andrew; Batsanov, Andrei S.; Thompson, Amber L.; Howard, Judith A. K.; Boucekkine, Abdou; Costuas, Karine; Halet, Jean-François; Marder, Todd B.","Synthesis, photophysics and molecular structures of luminescent 2,5-bis(phenylethynyl)thiophenes (BPETs)","New Journal of Chemistry","2007","31","6","841","851","10.1039/b701172e","","","0.71073","MoKα","","0.0504","0.0463","","","0.1135","0.1159","","","","","","1.039","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054218","22.2718","0.0014","6.0451","0.0003","16.2765","0.0008","90","","90","","90","","2191.4","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Betainium hydrogen squarate","Betainium hydrogen squarate","","- C9 H13 N O6 -","- C9 H13 N O6 -","- C72 H104 N8 O48 -","8","2","","Anioła, Michalina; Dega-Szafran, Zofia; Katrusiak, Andrzej; Szafran, Mirosław","NH⋯O and OH⋯O interactions of glycine derivatives with squaric acid","New Journal of Chemistry","2014","38","8","3556","","10.1039/C4NJ00212A","","","0.71073","MoKα","","0.0942","0.04","","","0.0891","0.1069","","","","","","0.766","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054276","7.3552","0.0005","18.8781","0.0008","21.2531","0.0015","90","","90","","90","","2951","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H15 Br2 N2 O2 -","- C13 H15 Br2 N2 O2 -","- C104 H120 Br16 N16 O16 -","8","2","","Önal, Emel; Yerli, Yusuf; Cosut, Bunyemin; Pilet, Guillaume; Ahsen, Vefa; Luneau, Dominique; Hirel, Catherine","Nitronyl and imino nitroxide free radicals as precursors of magnetic phthalocyanine and porphyrin building blocks","New Journal of Chemistry","2014","38","9","4440","","10.1039/C4NJ00574K","","","0.71073","MoKα","","0.0356","0.0334","","","0.0784","0.0791","","","","","","1.01","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054277","7.306","0.0004","18.7395","0.0009","20.9306","0.0011","90","","90","","90","","2865.6","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H15 Br2 N2 O -","- C13 H15 Br2 N2 O -","- C104 H120 Br16 N16 O8 -","8","2","","Önal, Emel; Yerli, Yusuf; Cosut, Bunyemin; Pilet, Guillaume; Ahsen, Vefa; Luneau, Dominique; Hirel, Catherine","Nitronyl and imino nitroxide free radicals as precursors of magnetic phthalocyanine and porphyrin building blocks","New Journal of Chemistry","2014","38","9","4440","","10.1039/C4NJ00574K","","","0.71073","MoKα","","0.051","0.0366","","","0.0784","0.0838","","","","","","1.02","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7055015","19.2529","0.0002","20.832","0.0003","17.2971","0.0003","90","","90","","90","","6937.46","0.17","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H56 F24 O29 Ti4 Zn2 -","- C44 H56 F24 O29 Ti4 Zn2 -","- C176 H224 F96 O116 Ti16 Zn8 -","4","1","","Ehsan, Muhammad Ali; Khaledi, Hamid; Pandikumar, Alagarsamy; Rameshkumar, Perumal; Huang, Nay Ming; Arifin, Zainudin; Mazhar, Muhammad","Nitrite ion sensing properties of ZnTiO3‒TiO2composite thin films deposited from a zinc‒titanium molecular complex","New J. Chem.","2015","39","9","7442","","10.1039/C5NJ00850F","","","0.71073","MoKα","","0.0837","0.0702","","","0.1943","0.2085","","","","","","1.039","","","","has coordinates,has disorder","155218","2020-10-21","18:00:00",""
"7055565","11.5426","0.0008","16.0408","0.0011","14.5815","0.0011","90","","90","","90","","2699.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H28 Au2 Cl2 P2 -","- C28 H28 Au2 Cl2 P2 -","- C112 H112 Au8 Cl8 P8 -","4","1","","Molitor, Sebastian; Mahler, Christoph; Gessner, Viktoria H.","Synthesis and Solid-State Structures of Gold(I) Complexes of Diphosphines","New J. Chem.","2016","","","","","10.1039/C6NJ00786D","","","0.71073","MoKα","","0.032","0.0232","","","0.0451","0.0482","","","","","","1.061","","","","has coordinates","182985","2020-10-21","18:00:00",""
"7055601","19.404","0.005","9.092","0.002","12.045","0.006","90","","90","","90","","2125","1.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(4-(Dimethylamino)phenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)- trione","","- C29 H21 N O3 -","- C29 H21 N O3 -","- C116 H84 N4 O12 -","4","1","","Bekere, Laura; Larina, Nina; Lokshin, Vladimir; Ellern, Arkady; Sigalov, Mark; Khodorkovsky, Vladimir","A new class of spirocyclic photochromes reacting with light of both UV and visible ranges","New J. Chem.","2016","40","8","6554","","10.1039/C6NJ00666C","","","0.71073","MoKα","","0.0838","0.0544","","","0.1109","0.1273","","","","","","1.323","","","","has coordinates","185616","2020-10-21","18:00:00",""
"7055605","18.1729","0.0006","21.8162","0.0007","16.4158","0.0005","90","","90","","90","","6508.3","0.4","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H36 B Cu2 N12 O40 W12 -","- C38 H36 B Cu2 N12 O40 W12 -","- C152 H144 B4 Cu8 N48 O160 W48 -","4","1","","Wang, Shuo; Yu, Kai; Wang, Bo; Wang, Lu; Wang, Chun-Xiao; Zhang, He; Wang, Chun-Mei; Zhou, Baibin","Construction of two novel borotungstates modified by different ligands connected with single/double bridges","New J. Chem.","2016","40","8","7011","","10.1039/C6NJ00155F","","","0.71073","MoKα","","0.0382","0.0337","","","0.0814","0.0838","","","","","","1.011","","","","has coordinates","185605","2020-10-21","18:00:00",""
"7055666","14.0228","0.0009","18.0075","0.0011","22.8626","0.0014","90","","90","","90","","5773.2","0.6","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(3-ammoniopropyl)-4-r-[2-c-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-3-t-(1-ethylpyridinium-4-yl)-4-t-(4-methoxyphenyl)cyclobutyl]pyridinium triperchlorate, benzene and acetonitrile and water solvate","","- C55.5 H70.75 Cl3 N3.75 O19.25 -","- C55.5 H70.25 Cl3 N3.75 O19.25 -","- C222 H281 Cl12 N15 O77 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","0.71073","MoKα","","0.2217","0.0818","","","0.1411","0.173","","","","","","0.898","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055879","21.595","0.003","11.459","0.018","26.335","0.004","90","","90","","90","","6517","10","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H49 N5 Zr -","- C32 H49 N5 Zr -","- C256 H392 N40 Zr8 -","8","2","","Luconi, Lapo; Kissel, Alexander A.; Rossin, Andrea; Khamaletdinova, Nadiya M.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","C1 and Cs 2-pyridylethylanilido zirconium(iv), yttrium(iii) and lutetium(iii) complexes: synthesis, characterization and catalytic activity in the isoprene polymerization","New J. Chem.","2017","41","2","540","","10.1039/C6NJ03193E","","x-ray","1.5418","CuKα","","0.1195","0.0846","","","0.1838","0.2115","","","","","","1.062","","","","has coordinates","191703","2020-10-21","18:00:00",""
"7055911","8.3172","0.001","7.226","0.001","14.148","0.002","90","","90","","90","","850.3","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N6 O4 -","- C5 H4 N6 O4 -","- C20 H16 N24 O16 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.0466","0.0314","","","0.0621","0.0686","","","","","","1.039","","","","has coordinates","191714","2020-10-21","18:00:00",""
"7056069","15.71","0.06","8.7","0.03","13.25","0.04","90","","90","","90","","1811","11","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H11 Co N8 O S2 -","- C12 H11 Co N8 O S2 -","- C48 H44 Co4 N32 O4 S8 -","4","1","","Liu, Yu-Ling; Wu, De-Hong; Wang, Zhongxia; Zhang, Yi","Switchings of dielectric constant, second harmonic generation and polarization in a polar hybrid cyanometallate crystal","New J. Chem.","2017","41","8","3211","","10.1039/C6NJ03973A","","","0.71073","MoKα","","0.1365","0.1198","","","0.3049","0.3222","","","","","","1.095","","","","has coordinates","196482","2020-10-21","18:00:00",""
"7056239","24.123","0.006","6.7026","0.0016","17.89","0.004","90","","90","","90","","2892.6","1.2","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H17 Cl2 Cu N3 O -","- C12 H17 Cl2 Cu N3 O -","- C96 H136 Cl16 Cu8 N24 O8 -","8","2","","Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha","Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation","New J. Chem.","2017","","","","","10.1039/C7NJ00846E","","","0.71073","MoKα","","0.0607","0.0531","","","0.1267","0.1337","","","","","","1.047","","","","has coordinates","196995","2020-10-21","18:00:00",""
"7056269","18.945","0.011","4.954","0.003","15.2","0.009","90","","90","","90","","1426.6","1.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H10 B F2 N3 O -","- C17 H10 B F2 N3 O -","- C68 H40 B4 F8 N12 O4 -","4","1","","Zhang, Hui; Wu, Yanping; Fan, Minhui; Xiao, Xu-Qiong; Mack, John; Kubheka, Gugu; Nyokong, Tebello; Lu, Hua","Aza boron-pyridyl-isoindoline analogues: synthesis and photophysical properties","New J. Chem.","2017","","","","","10.1039/C7NJ00707H","","","0.71073","MoKα","","0.1627","0.0602","","","0.114","0.1568","","","","","","0.988","","","","has coordinates","197125","2020-10-21","18:00:00",""
"7056328","9.9779","0.0004","12.089","0.0005","10.2249","0.0005","90","","90","","90","","1233.36","0.09","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C2 H18 N2 O10 P2 Zn -","- C2 H18 N2 O10 P2 Zn -","- C8 H72 N8 O40 P8 Zn4 -","4","1","","Vargova, Zuzana; Rostasova, Ingrida; Vilkova, Maria; Gyepes, Robert; Litecka, Miroslava; Kubicek, Vojtech; Imrich, Jan; Lukes, Ivan","Interaction of Zn(II)-cyclen complex with aminomethylphosphonic acid: Original simultaneous potentiometric and 31P NMR data treatment","New J. Chem.","2017","","","","","10.1039/C7NJ00254H","","","0.71073","MoKα","","0.0292","0.0237","","","0.0471","0.0489","","","","","","1.026","","","","has coordinates","197797","2020-10-21","18:00:00",""
"7056410","23.003","0.002","6.749","0.0007","19.422","0.002","90","","90","","90","","3015.2","0.5","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 N13 O10 -","- C5 H5 N13 O10 -","- C40 H40 N104 O80 -","8","2","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.1222","0.0602","","","0.1454","0.1774","","","","","","1.006","","","","has coordinates","198662","2020-10-21","18:00:00",""
"7056412","9.2722","0.0011","13.486","0.0016","12.5676","0.0015","90","","90","","90","","1571.5","0.3","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H6 N14 O10 -","- C5 H6 N14 O10 -","- C20 H24 N56 O40 -","4","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","","","","","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0726","0.0432","","","0.0818","0.0927","","","","","","1.008","","","","has coordinates","198662","2020-10-21","18:00:00",""
"7056569","16.4376","0.0011","12.9727","0.0009","7.2813","0.0005","90","","90","","90","","1552.66","0.18","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","1","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0182","0.017","","","0.0421","0.0426","","","","","","1.082","","","","has coordinates","200020","2020-10-21","18:00:00",""
"7056670","21.2012","0.0014","7.069","0.003","17.137","","90","","90","","90","","2568.3","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H25 N8 O9 P -","- C20 H25 N8 O9 P -","- C80 H100 N32 O36 P4 -","4","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","","","","","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.1354","0.0923","","","0.2198","0.244","","","","","","1.069","","","","has coordinates","201881","2020-10-21","18:00:00",""
"7056729","32.089","0.005","10.5036","0.0015","13.786","0.002","90","","90","","90","","4646.6","1.2","100","2","100","2","","","101.3","","","","synthesis","6","P c a 21","P 2c -2ac","29","","","","- C52 H58 N6 O2 Pt S2 -","- C52 H58 N6 O2 Pt S2 -","- C208 H232 N24 O8 Pt4 S8 -","4","1","","Koch, Klaus R.; Kotze, Izak; smith, vincent; Kangara, Edmore F.","Rare, Hypodentate L-κS Coordination Mode of N,N-dialkyl-N’-aroylthioureas leads to Unprecedented Mixed-ligand [Pt(phen)(L-κS)2] Complexes..","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03178E","","x-ray","0.71073","MoKα","","0.0267","0.0222","","","0.0439","0.0455","","","","","","0.845","","","","has coordinates","202592","2020-10-21","18:00:00",""
"7056890","21.0903","0.0013","4.5204","0.0003","17.9165","0.001","90","","90","","90","","1708.1","0.18","296","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H16 N6 O2 Se2 -","- C14 H16 N6 O2 Se2 -","- C56 H64 N24 O8 Se8 -","4","1","","Sharma, Nidhi; Kumar, Sanjeev; Kumar, Sangit; Mehta, S. K.; Bhasin, K. K.","Synthesis and characterization of fused imidazole heterocyclic selenoesters and their application for chemical detoxification of HgCl2","New Journal of Chemistry","2018","42","4","2702","","10.1039/C7NJ03908E","","","0.71073","MoKα","","0.0465","0.0319","","","0.0591","0.0628","","","","","","0.988","","","","has coordinates","230272","2020-10-21","18:00:00",""
"7057141","21.079","0.003","4.4677","0.0005","10.0801","0.0012","90","","90","","90","","949.3","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-methyl-2-(1,2,4-triazol-3-yliminomethyl)phenol","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Brink, Alice; Kroon, Robin E.; Visser, Hendrik G.; van Rensburg, Constance E. J.; Roodt, Andreas","Designing model imino bifunctional chelators for radiopharmaceuticals ‒ in vitro antitumor activity, photoluminescence and structural analysis","New Journal of Chemistry","2018","42","7","5193","","10.1039/C7NJ04208F","","","0.71073","MoKα","","","0.0427","","","","0.108","","","","","","1.12","","","","has coordinates","230419","2020-10-21","18:00:00",""
"7057629","22.663","0.004","10.1552","0.0007","9.713","0.0006","90","","90","","90","","2235.4","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H24 Cu N2 O6 S -","- C22 H24 Cu N2 O6 S -","- C88 H96 Cu4 N8 O24 S4 -","4","1","","Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.","Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation","New Journal of Chemistry","2018","42","18","15170","","10.1039/C8NJ03292K","","","1.5418","CuKα","","0.0386","0.0318","","","0.0845","0.0867","","","","","","1.078","","","","has coordinates","230489","2020-10-21","18:00:00",""
"7057693","20.9267","0.0005","14.4964","0.0003","26.1402","0.0007","90","","90","","90","","7929.9","0.3","180","","180","","","","101","","","","","3","P c a 21","P 2c -2ac","29","","","","- C45 H58 O5 -","- C45.0015 H58.0035 O5 -","- C360.012 H464.028 O40 -","8","2","","Slavík, P.; Eigner, V.; Lhoták, P.","meta-Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents","New Journal of Chemistry","2018","42","20","16646","","10.1039/C8NJ02577K","","","1.54178","CuKα","","0.0845","0.0819","","0.1907","0.1896","0.1906","","","","","","0.9973","","","","has coordinates,has disorder","230354","2020-10-21","18:00:00",""
"7057704","9.544","0.011","12.724","0.014","22.54","0.03","90","","90","","90","","2737","6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H18 Cl2 Cu F6 N8 -","- C28 H18 Cl2 Cu F6 N8 -","- C112 H72 Cl8 Cu4 F24 N32 -","4","1","","Conradie, J.; Conradie, M. M.; Tawfiq, K. M.; Coles, S. J.; Tizzard, G. J.; Wilson, C.; Potgieter, J. H.","Jahn‒Teller distortion in 2-pyridyl-(1,2,3)-triazole-containing copper(ii) compounds","New Journal of Chemistry","2018","42","19","16335","","10.1039/C8NJ03080D","","","0.6889","synchrotron","","0.1266","0.1135","","","0.297","0.3128","","","","","","1.067","","","","has coordinates","230322","2020-10-21","18:00:00",""
"7057742","11.3899","0.0005","17.0364","0.0007","24.9905","0.0011","90","","90","","90","","4849.2","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C44 H58 Co3 N4 O16 -","- C44 H58 Co3 N4 O16 -","- C176 H232 Co12 N16 O64 -","4","1","","Sikdar, Yeasin; Goswami, Ranadip; Modak, Ritwik; Basak, Megha; Heras Ojea, María José; Murrie, Mark; Goswami, Sanchita","Diazine based ligand supported CoII3 and CoII4 coordination complexes: role of anions","New Journal of Chemistry","2018","42","21","17587","","10.1039/C8NJ02955E","","","0.71073","MoKα","","0.06","0.0461","","","0.125","0.1429","","","","","","1.105","","","","has coordinates","230514","2020-10-21","18:00:00",""
"7057833","38.585","0.002","6.8672","0.0004","18.7605","0.0012","90","","90","","90","","4971","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","DACSC","","- C24 H29 Cl N2 O5 S -","- C24 H25 Cl N2 O5 S -","- C192 H200 Cl8 N16 O40 S8 -","8","2","","Sundaram, S. John; Ramaclus, Jerald V.; Antony, Priya; Jaccob, M.; Sagayaraj, P.","Synthesis, growth and characterization of a new acentric 4-[4-(4-dimethylamino-phenyl)buta-1,3-dienyl]-1-methyl pyridinium p-chlorobenzenesulfonate dihydrate crystal for nonlinear optical applications","New Journal of Chemistry","2018","42","23","18865","","10.1039/C8NJ03261K","","","0.71073","MoKα","","0.1103","0.0874","","","0.2183","0.2444","","","","","","1.107","","","","has coordinates","230503","2020-10-21","18:00:00",""
"7057859","13.8678","0.001","13.8895","0.001","8.334","0.0006","90","","90","","90","","1605.3","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Patra, Lakshman; Das, Sangita; Gharami, Saswati; Aich, Krishnendu; Mondal, Tapan Kumar","A new multi-analyte fluorogenic sensor for efficient detection of Al3+and Zn2+ions based on ESIPT and CHEF features","New Journal of Chemistry","2018","42","23","19076","","10.1039/C8NJ03191F","","","0.71073","MoKα","","0.0739","0.0493","","","0.1184","0.1314","","","","","","0.995","","","","has coordinates","230499","2020-10-21","18:00:00",""
"7058048","14.0358","0.0017","22.951","0.003","14.5248","0.0018","90","","90","","90","","4679","1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H23 N5 O2 S -","- C27 H23 N5 O2 S -","- C216 H184 N40 O16 S8 -","8","2","","Izmest’ev, Alexei N.; Vasileva, Darya A.; Melnikova, Elizaveta K.; Kolotyrkina, Natalya G.; Borisova, Irina A.; Kravchenko, Angelina N.; Gazieva, Galina A.","Skeletal rearrangement of arylmethylideneimidazo[4,5-e]thiazolo[3,2-b]-1,2,4-triazine-2,7-diones in the synthesis of the corresponding imidazo[4,5-e]thiazolo[2,3-c]-1,2,4-triazine-2,8-diones","New Journal of Chemistry","2019","43","2","1038","","10.1039/C8NJ05058A","","","0.71073","MoKα","","0.1408","0.0623","","","0.0821","0.1007","","","","","","0.985","","","","has coordinates","224817","2020-10-21","18:00:00",""
"7058256","12.0882","0.0009","7.9926","0.0006","19.6067","0.0014","90","","90","","90","","1894.3","0.2","100","2","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H23 Cl O4 Ru -","- C21 H23 Cl O4 Ru -","- C84 H92 Cl4 O16 Ru4 -","4","1","","Yousuf, Imtiyaz; Arjmand, Farukh; Tabassum, Sartaj; Ahmad, Musheer","Design and synthesis of a DNA intercalative half-sandwich organoruthenium(ii)‒chromone complex: cytotoxicity evaluation and topoisomerase Iα inhibition assay","New Journal of Chemistry","2019","","","","","10.1039/C9NJ00042A","","","0.71073","MoKα","","0.023","0.0218","","","0.0531","0.0543","","","","","","1.0515","","","","has coordinates","214244","2020-10-21","18:00:00",""
"7058261","12.1337","0.0012","10.3273","0.001","10.8935","0.0012","90","","90","","90","","1365","0.2","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H15 F4 P S -","- C12 H15 F4 P S -","- C48 H60 F16 P4 S4 -","4","1","","Facundo, Aldo A.; Arévalo, Alma; Fundora-Galano, Gabriela; Flores-Álamo, Marcos; Orgaz, Emilio; García, Juventino J.","Hydrodefluorination of functionalized fluoroaromatics with triethylphosphine: a theoretical and experimental study","New Journal of Chemistry","2019","43","18","6897","","10.1039/C9NJ00721K","","","0.71073","MoKα","","0.0729","0.0483","","","0.0921","0.1046","","","","","","1.005","","","","has coordinates","224915","2020-10-21","18:00:00",""
"7058360","33.9621","0.0019","9.8508","0.0005","19.6801","0.0009","90","","90","","90","","6584.1","0.6","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H31 Cu Fe O P2 S2 -","- C36 H31 Cu Fe O P2 S2 -","- C288 H248 Cu8 Fe8 O8 P16 S16 -","8","2","","Anamika, Anamika; Agrahari, Anand K.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Highly efficient structurally characterised novel precatalysts: di- and mononuclear heteroleptic Cu(i) dixanthate/xanthate‒phosphine complexes for azide‒alkyne cycloadditions","New Journal of Chemistry","2019","43","23","8939","","10.1039/C9NJ01551E","","","0.71073","MoKα","","0.1465","0.0867","","","0.1052","0.1236","","","","","","0.977","","","","has coordinates","224923","2020-10-21","18:00:00",""
"7058719","19.016","0.016","12.875","0.008","7.696","0.005","90","","90","","90","","1884","2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H18 Fe N4 O2 -","- C21 H18 Fe N4 O2 -","- C84 H72 Fe4 N16 O8 -","4","1","","de Resende Filho, João Batista M.; Falcão, Nathália Kellyne S. M.; Pires, Gilvan P.; de Vasconcelos, Luiz Fernando S.; Pinheiro, Sávio M.; dos Santos Filho, José Maurício; Frazão Barbosa, Marília Imaculada; Doriguetto, Antônio Carlos; Teotonio, Ercules E. S.; Vale, Juliana A.","Lanthanide‒EDTA complexes covalently bonded on Fe3O4@SiO2 magnetic nanoparticles promote the green, stereoselective synthesis of N-acylhydrazones","New Journal of Chemistry","2019","43","36","14257","","10.1039/C9NJ02916H","","","0.71073","MoKα","","0.1099","0.0645","","","0.1562","0.2004","","","","","","1.011","","","","has coordinates","224947","2020-10-21","18:00:00",""
"7058816","20.3247","0.0006","10.1709","0.0003","23.0532","0.0006","90","","90","","90","","4765.6","0.2","223","2","223","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H24 F4 N2 O2 P2 Pt -","- C20 H24 F4 N2 O2 P2 Pt -","- C160 H192 F32 N16 O16 P16 Pt8 -","8","2","","Han, Young-Sung; Jung, Kang-Yeoun; Kim, Yong-Joo; Baeck, Kyoung Koo; Lee, Gang Min; Lee, Soon W.","Reactivities of zero-valent group 10 complexes toward organic isocyanates: synthesis of metallacycles containing dimeric isocyanate units, isocyanate cyclotrimerization, and computational chemistry","New Journal of Chemistry","2019","43","39","15614","","10.1039/C9NJ03332G","","","0.71073","MoKα","","0.0281","0.0223","","","0.0491","0.0513","","","","","","1.081","","","","has coordinates","224785","2020-10-21","18:00:00",""
"7059434","12.792","0.007","3.569","0.0009","29.664","0.008","90","","90","","90","","1354.3","0.9","170","","170","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C32 H40 N24 O40 -","8","2","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0783","0.0512","","","0.12","0.1371","","","","","","1.126","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059493","6.2167","0.0003","7.5783","0.0004","28.6871","0.0014","90","","90","","90","","1351.51","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H11 F3 O -","- C16 H11 F3 O -","- C64 H44 F12 O4 -","4","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates","New Journal of Chemistry","2020","44","17","6704","6708","10.1039/D0NJ01268H","","","0.71073","MoKα","","0.0765","0.0574","","","0.1824","0.1998","","","","","","1.07","","","","has coordinates","257738","2020-10-21","18:00:00",""
"7059711","13.2481","0.0004","8.2931","0.0003","12.1623","0.0004","90","","90","","90","","1336.25","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 O5 S -","- C15 H10 O5 S -","- C60 H40 O20 S4 -","4","1","","Singhal, Divya; Althagafi, Ismail; Kumar, Ashish; Yadav, Saroj; Prasad, Ashok K.; Pratap, Ramendra","Thieno[3,2-c]pyran: an ESIPT based fluorescence “turn-on” molecular chemosensor with AIE properties for the selective recognition of Zn2+ ion","New Journal of Chemistry","2020","44","28","12019","12026","10.1039/D0NJ02236E","","","0.71073","MoKα","","0.0728","0.0453","","","0.1124","0.1453","","","","","","0.648","","","","has coordinates","257642","2020-10-21","18:00:00",""
"7059781","30.8908","0.0012","9.66","0.0003","12.8697","0.0005","90","","90","","90","","3840.4","0.2","150","0.1","150","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C41 H41 Cl3 Fe N5 O3 S -","- C41 H41 Cl3 Fe N5 O3 S -","- C164 H164 Cl12 Fe4 N20 O12 S4 -","4","1","","Zhao, Mei; Shao, Guang-Kui; Guo, Yu-Shuang; Tang, Yan-Ling; Liu, Jian-Biao; Guo, Dian-Shun","A reaction-type receptor for the multi-feature detection of Hg2+ in water and living cells","New Journal of Chemistry","2020","44","29","12538","12545","10.1039/D0NJ01995J","","x-ray","1.54184","CuKα","","0.0864","0.0728","","","0.1875","0.2047","","","","","","1.029","","","","has coordinates","257635","2020-10-21","18:00:00",""
"7059803","20.1878","0.001","6.1088","0.0003","23.5694","0.0013","90","","90","","90","","2906.7","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-[(E)-[(1-hydroxyphenyl-2-yl)methylidene]amino]-1-[(E)-[(pyridin-3-yl)methylidene]amino]urea","","- C14 H13 N5 O2 -","- C14 H13 N5 O2 -","- C112 H104 N40 O16 -","8","2","","Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta","Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides","New Journal of Chemistry","2020","44","31","13357","13367","10.1039/D0NJ03106B","","","0.71073","MoKα","","0.1194","0.0638","","","0.088","0.1016","","","","","","1.046","","","","has coordinates","257835","2020-10-21","18:00:00",""
"7060016","8.639","0.002","14.006","0.004","8.727","0.003","90","","90","","90","","1055.9","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","1","","Poojith, Nuthalapati; Potla, Krishna Murthy; Osório, Francisco A. P.; Valverde, Clodoaldo; Vankayalapati, Suneetha; Suchetan, P. A.; Raja, M.","Y-shaped potential third-order nonlinear optical material ‒ 3-(2-amino-2-oxoethyl)-5-methyl hexanoic acid: an analysis of structural, spectroscopic and docking studies","New Journal of Chemistry","2020","44","42","18185","18198","10.1039/D0NJ02658A","","","0.71073","MoKα","","0.1609","0.0833","","","0.2027","0.2546","","","","","","1.027","","","","has coordinates","258901","2020-11-06","12:44:05",""
"7060156","23.156","0.0009","12.3704","0.0005","16.9025","0.0006","90","","90","","90","","4841.7","0.3","296","2","296.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H52 Cl2 Dy2 N5 O16 -","- C41 H52 Cl2 Dy2 N5 O16 -","- C164 H208 Cl8 Dy8 N20 O64 -","4","1","","Li, Dawei; Ding, Man-Man; Ge, Yu; Tello Yepes, David Felipe; Sun, Mingyuan; Najib, Muhammad Saleem; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei","Assembling two Dy2 single-molecule magnets with different energy barriers via fine-tuning the geometries of DyIII sites","New Journal of Chemistry","2020","44","47","20634","20642","10.1039/D0NJ04009F","","","0.71073","MoKα","","0.0523","0.0429","","","0.1282","0.1351","","","","","","1.044","","","","has coordinates","259919","2020-12-16","04:18:55",""
"7060211","8.1911","0.0001","15.514","0.0001","14.1816","0.0002","90","","90","","90","","1802.15","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 O4 S2 -","- C22 H16 O4 S2 -","- C88 H64 O16 S8 -","4","1","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.0586","0.0588","","","","","","1.03","","","","has coordinates","261732","2021-02-04","23:26:17",""
"7060287","28.6962","0.0018","16.3215","0.001","20.524","0.0011","90","","90","","90","","9612.7","1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C103 H115 Cd2 N10 O28 S4 -","- C81 H66 Cd2 N5 O19 S4 -","- C324 H264 Cd8 N20 O76 S16 -","4","1","","Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang","Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions","New Journal of Chemistry","2021","45","6","3181","3187","10.1039/D0NJ06051H","","","0.71073","MoKα","","0.0806","0.0527","","","0.1315","0.1467","","","","","","0.994","","","","has coordinates","262691","2021-03-05","02:19:32",""
"7060327","12.197","0.0005","8.0942","0.0003","19.7477","0.0008","90","","90","","90","","1949.59","0.13","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H23 Cl O4 Ru -","- C21 H23 Cl O4 Ru -","- C84 H92 Cl4 O16 Ru4 -","4","1","","Usman, Mohammad; Husain, Fohad Mabood; Khan, Rais Ahmad; Alharbi, Walaa; Alsalme, Ali; Al-Lohedan, Hamad A.; Tabassum, Sartaj","Organometallic ruthenium (η6-p-cymene) complexes interfering with quorum sensing and biofilm formation: an anti-infective approach to combat multidrug-resistance in bacteria","New Journal of Chemistry","2021","45","4","2184","2199","10.1039/D0NJ05068G","","","0.71073","MoKα","","0.032","0.0266","","","0.0516","0.0557","","","","","","1.0462","","","","has coordinates","261731","2021-02-04","23:26:09",""
"7060362","18.5588","0.0009","9.0762","0.0004","51.788","0.003","90","","90","","90","","8723.3","0.8","120","2","120","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C23 H25 B Fe N O2 P S -","- C23 H25 B Fe N O2 P S -","- C368 H400 B16 Fe16 N16 O32 P16 S16 -","16","4","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","1.54178","CuKα","","0.0345","0.0319","","","0.0786","0.0798","","","","","","1.04","","","","has coordinates","262695","2021-03-05","02:20:32",""
"7060553","22.46","0.03","10.229","0.015","18.36","0.03","90","","90","","90","","4218","11","153.15","","153.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co Gd N3 O15 -","- C33 H62 Co Gd N3 O15 -","- C132 H248 Co4 Gd4 N12 O60 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0439","0.0383","","","0.0763","0.0785","","","","","","1.072","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060554","22.6276","0.0016","10.2921","0.0007","18.4487","0.0013","90","","90","","90","","4296.4","0.5","150.15","","150.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co Dy N3 O15 -","- C33 H62 Co Dy N3 O15 -","- C132 H248 Co4 Dy4 N12 O60 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0634","0.056","","","0.1411","0.1454","","","","","","1.096","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060555","22.55","0.005","10.051","0.002","18.174","0.004","90","0.03","90","0.03","90","0.03","4119.1","1.5","156.15","","156.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co Ho N3 O15 -","- C33 H62 Co Ho N3 O15 -","- C132 H248 Co4 Ho4 N12 O60 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0299","0.0281","","","0.0611","0.0618","","","","","","1.058","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060556","22.38","0.004","10.198","0.002","18.341","0.004","90","0.03","90","0.03","90","0.03","4186","1.4","160.15","","160.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co N3 O15 Tb -","- C33 H62 Co N3 O15 Tb -","- C132 H248 Co4 N12 O60 Tb4 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0327","0.0299","","","0.0618","0.0642","","","","","","1.072","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060641","18.604","0.005","5.0525","0.0012","11.244","0.003","90","","90","","90","","1056.9","0.5","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-phenylquinazolin","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","Kumar, Gujjenahalli Ramalingaiah Yogesh; Begum, Noor Shahina","Mn(iii)-mediated cascade cyclization of 1-(azidomethyl)-2-isocyanoarenes with organoboronic acids: construction of quinazoline derivatives","New Journal of Chemistry","2021","45","22","9811","9817","10.1039/D1NJ01115D","","","0.71073","MoKα","","0.0503","0.0385","","","0.0994","0.1094","","","","","","1.029","","","","has coordinates","267209","2021-07-05","18:04:01",""
"7060695","19.831","0.002","5.3577","0.0005","7.8562","0.0009","90","","90","","90","","834.71","0.15","293","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N8 O2 -","- C5 H4 N8 O2 -","- C20 H16 N32 O8 -","4","1","","Yang, Rui; Liu, Yifei; Dong, Zhen; Li, Haiyan; Ye, Zhiwen","3-R-4-(5-Methyleneazide-1,2,4-oxadiazol-3-yl)furazan and its ionic salts as low-sensitivity and high-detonation energetic materials","New Journal of Chemistry","2021","45","25","11380","11389","10.1039/D1NJ01099A","","","0.71073","MoKα","","0.0796","0.0503","","","0.1122","0.1215","","","","","","1.079","","","","has coordinates","267218","2021-07-05","18:05:23",""
"7060877","20.2134","0.0006","11.8811","0.0004","19.6033","0.0006","90","","90","","90","","4707.9","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[NdL3(5,5'-Me2bipy)]","","","- C54 H36 F9 N2 Nd O6 -","- C54 H36 F9 N2 Nd O6 -","- C216 H144 F36 N8 Nd4 O24 -","4","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0386","0.0302","","","0.0613","0.0648","","","","","","0.938","","","","has coordinates,has disorder","268866","2021-09-06","12:02:41",""
"7060894","13.6347","0.0003","10.9933","0.0002","11.307","0.0002","90","","90","","90","","1694.81","0.06","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C8 H21 Cl2 N O3 Ru S3 -","- C8 H21 Cl2 N O3 Ru S3 -","- C32 H84 Cl8 N4 O12 Ru4 S12 -","4","1","","Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.","Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions","New Journal of Chemistry","2021","45","37","17339","17346","10.1039/D1NJ03041H","","","0.71073","MoKα","","0.0263","0.0246","","","0.0609","0.062","","","","","","0.966","","","","has coordinates","269740","2021-10-06","16:00:23",""
"7061378","14.319","0.002","9.3621","0.0014","6.8195","0.0009","90","","90","","90","","914.2","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H8 N4 O7 -","- C5 H8 N4 O7 -","- C20 H32 N16 O28 -","4","1","","Wang, Qian; Lu, Ming","Carbon skeleton: route to investigate high-performance insensitive energetic materials","New Journal of Chemistry","2022","46","14","6690","6693","10.1039/D1NJ05168G","","","0.71073","MoKα","","0.0621","0.0382","","","0.0828","0.0907","","","","","","1.043","","","","has coordinates","275027","2022-05-05","20:46:24",""
"7062269","23.8122","0.0001","8.674","","21.1536","0.0001","90","","90","","90","","4369.21","0.03","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H30 Cl Ir N2 -","- C24 H30 Cl Ir N2 -","- C192 H240 Cl8 Ir8 N16 -","8","2","","van Vuuren, Estefan; Malan, Frederick P.; Landman, Marilé","Cyclometallated iridium NHC complexes containing self-isomerised ligands as catalysts for hydrosilylation and transfer hydrogenation reactions","New Journal of Chemistry","2023","47","11","5203","5215","10.1039/D2NJ05727A","","","1.54184","CuKα","","0.0227","0.0223","","","0.0573","0.0575","","","","","","1.042","","","","has coordinates","283414","2023-05-05","03:05:51",""
"7062283","30.155","0.003","9.1523","0.0009","25.15","0.003","90","","90","","90","","6941.1","1.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H27 F N4 O3 -","- C37 H27 F N4 O3 -","- C296 H216 F8 N32 O24 -","8","2","","Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo","Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols","New Journal of Chemistry","2023","47","14","6694","6699","10.1039/D3NJ00013C","","","0.71073","MoKα","","0.2335","0.1035","","","0.2609","0.301","","","","","","0.958","","","","has coordinates","283403","2023-05-05","03:01:48",""
"7062314","43.205","0.006","7.705","0.0011","4.5617","0.0006","90","","90","","90","","1518.6","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.1236","0.089","","","0.2066","0.2288","","","","","","1.133","","","","has coordinates","283395","2023-05-05","02:58:24",""
"7062389","18.564","0.01","5.046","0.002","11.181","0.005","90","","90","","90","","1047.4","0.8","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","R., Thrilokraj; Hegde, Rajeev V.; Ghosh, Arnab; Limaye, Akshay S.; Rode, Haridas B.; Sridhar, Balasubramanian; Dateer, Ramesh B.","A sustainable approach for nickel nanoparticles synthesis: expeditious access to N-heterocycles under heterogeneous condition and photophysical studies","New Journal of Chemistry","2023","47","17","8268","8276","10.1039/D3NJ00988B","","","0.71073","MoKα","","0.1132","0.0608","","","0.1332","0.1598","","","","","","1.036","","","","has coordinates","283382","2023-05-05","02:53:19",""
"7062407","18.9651","0.0004","10.1066","0.0003","11.3647","0.0002","90","","90","","90","","2178.3","0.09","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H24 Cl2 N2 O4 Zn2 -","- C19 H24 Cl2 N2 O4 Zn2 -","- C76 H96 Cl8 N8 O16 Zn8 -","4","1","","Middya, Puspendu; Karmakar, Mainak; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands","New Journal of Chemistry","2023","47","19","9346","9363","10.1039/D2NJ05490F","","","0.71073","MoKα","","0.0325","0.026","","","0.0616","0.0653","","","","","","1.03","","","","has coordinates","284292","2023-06-05","04:43:01",""
"7062499","22.2059","0.0005","10.1482","0.0002","8.5616","0.0002","90","","90","","90","","1929.36","0.07","150.15","","150.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H21 Cl N4 Ni -","- C22 H21 Cl N4 Ni -","- C88 H84 Cl4 N16 Ni4 -","4","1","","Cao, Shaobo; Xie, Shangqing; Li, Qingshuang; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis of [CNN] pincer nickel(ii) NHC chlorides and their catalytic effects on the hydrosilylation of aldehydes and ketones under mild conditions","New Journal of Chemistry","2023","47","26","12229","12238","10.1039/D3NJ01375H","","x-ray","1.34143","GaKα","","0.0271","0.0263","","","0.0713","0.0718","","","","","","1.043","","","","has coordinates","284942","2023-07-05","10:35:03",""
"7062617","20.57","0.0018","10.3975","0.0011","16.1785","0.0018","90","","90","","90","","3460.2","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H41 Co N7 O11 -","- C30 H41 Co N7 O11 -","- C120 H164 Co4 N28 O44 -","4","1","","Kukovec, Boris-Marko; Rončević, Ivana Škugor; Vladislavić, Nives; Chatterjee, Nabanita; Sokol, Vesna; Oliver, Clive L.","A cobalt(ii) coordination polymer with 6-aminonicotinate and 1,2-bis(4-pyridyl)ethane as a new electrochemical sensor for determination of dopamine","New Journal of Chemistry","2023","47","33","15701","15710","10.1039/D3NJ02486E","","","0.71073","MoKα","","0.0396","0.037","","","0.0667","0.0674","","","","","","1.17","","","","has coordinates","286167","2023-09-05","20:09:00",""
"7062771","18.198","0.0014","11.6386","0.0009","18.3823","0.0014","90","","90","","90","","3893.4","0.5","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H55 N5 O5 S -","- C40 H55 N5 O5 S -","- C160 H220 N20 O20 S4 -","4","1","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Terminal substituent-induced differential aggregation and sensing properties: A case study of neutral benzimidazole-based urea receptors","New Journal of Chemistry","2023","47","42","19625","19632","10.1039/D3NJ03806H","","","0.71073","MoKα","","0.0966","0.0628","","","0.1588","0.1875","","","","","","1.165","","","","has coordinates","287382","2023-11-06","08:01:03",""
"7062854","31.248","0.004","16.2834","0.0018","42.122","0.005","90","","90","","90","","21433","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C84 H60 In6 N6 O38 -","- C84 H48 In6 N4 O32 -","- C336 H192 In24 N16 O128 -","4","1","","Zhang, Hao; Chen, Feng-Yu; Liu, Zhi-Yong; Luo, Yu-Hui; Zhou, Zi-Lin; Jia, Xue-Meng; Wang, Xin; Yang, Yun-Qiong","Photocatalytic activation of peroxodisulfate using iron-containing MOFs synthesized by single-crystal-to-single-crystal transformation for ofloxacin degradation","New Journal of Chemistry","2023","47","45","21081","21090","10.1039/D3NJ03470D","","","0.71073","MoKα","","0.0778","0.0558","","","0.1332","0.1458","","","","","","1.01","","","","has coordinates","288860","2024-01-06","09:05:27",""
"7062855","31.104","0.005","16.117","0.002","41.896","0.007","90","","90","","90","","21003","6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H60 Fe4 In2 N6 O38 -","- C84 H48 Fe4.0002 In1.9998 N4 O32 -","- C336 H192 Fe16.0008 In7.9992 N16 O128 -","4","1","","Zhang, Hao; Chen, Feng-Yu; Liu, Zhi-Yong; Luo, Yu-Hui; Zhou, Zi-Lin; Jia, Xue-Meng; Wang, Xin; Yang, Yun-Qiong","Photocatalytic activation of peroxodisulfate using iron-containing MOFs synthesized by single-crystal-to-single-crystal transformation for ofloxacin degradation","New Journal of Chemistry","2023","47","45","21081","21090","10.1039/D3NJ03470D","","","0.71073","MoKα","","0.1668","0.0839","","","0.179","0.2089","","","","","","1.049","","","","has coordinates,has disorder","288860","2024-01-06","09:05:32",""
"7063115","6.223","0.0007","7.3093","0.0008","28.66","0.003","90","","90","","90","","1303.6","0.2","273","2","273.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenium complexes of redox non-innocent aryl-azo-oximes in catalytic α -alkylation of ketones and synthesis of 2-substituted quinolines","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00391H","","","0.71073","MoKα","","0.0849","0.0778","","","0.2027","0.2072","","","","","","1.04","","","","has coordinates","290770","2024-04-04","00:41:02",""
"7100147","26.518","0.002","17.1036","0.0011","20.3798","0.0017","90","","90","","90","","9243.4","1.2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H74 B9 Mo2 N3 O6 -","- C37 H74 B9 Mo2 N3 O6 -","- C296 H592 B72 Mo16 N24 O48 -","8","2","","P. Lei; T.D. McGrath; F.G.A. Stone","The bis-molybdenum(0) trianion [1,3,6-{Mo(CO)~3~}-3,6-(μ-H)~2~-1,1,1- (CO)~3~-2-Ph-closo-1,2-MoCB~9~H~7~]^3-^ and its use as a scaffold in the assembly of heteropolymetallic complexes","Chemical Communications","2005","","","","","10.1039/b505841d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100420","10.7826","0.0018","16.14","0.003","17.502","0.003","90","","90","","90","","3045.9","0.9","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H27 B F15 N5 Zr -","- C26 H27 B F15 N5 Zr -","- C104 H108 B4 F60 N20 Zr4 -","4","1","","Simon J. Lancaster; William Clegg; Ross W. Harrington; Simon Humphrey; Andrew J. Mountford","New Titanium and Zirconium Complexes with M-NH2 bonds formed by Facile Deprotonation of H3N*B(C6F5)3","Chemical Communications","2005","","","","","10.1039/b500407a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100640","22.269","0.004","3.8534","0.0007","26.754","0.005","90","","90","","90","","2295.8","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 O2 S -","- C15 H10 O2 S -","- C120 H80 O16 S8 -","8","2","","B.L. Tran; Seth M. Cohen","","Chemical Communications","2006","","","","","10.1039/b512185j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100658","9.5123","0.0003","18.0026","0.0006","16.994","0.0007","90","","90","","90","","2910.16","0.18","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H40 O2 Si2 W -","- C30 H39 O2 Si2 W -","- C120 H156 O8 Si8 W4 -","4","1","","Rockshana Begum; Takashi Komuro; Hiromi Tobita","Group 6 metal xantsil complexes with a labile oxygen coordination and insertion of tBuCN into a W-Si bond [xantsil = (9,9-dimethylxantene- 4,5-diyl)bis(dimethylsilyl)]","Chemical Communications","2006","","","","","10.1039/b512759a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100722","17.7798","0.0008","15.1565","0.0006","15.7185","0.0007","90","","90","","90","","4235.8","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C50 H48 Li2 N8 -","- C50 H48 Li2 N8 -","- C200 H192 Li8 N32 -","4","1","","M. Ephritikhine; Pierre Thuery; Claude Villiers","Reductive coupling of carbodiimides with metallic lithium: a new route to metal oxalamidino complexes","Chemical Communications","2006","","","","","10.1039/b515285b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100755","18.9502","0.0003","10.9104","0.0002","14.8819","0.0002","90","","90","","90","","3076.9","0.09","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H32 Ni O3 P2 Si -","- C31 H32 Ni O3 P2 Si -","- C124 H128 Ni4 O12 P8 Si4 -","4","1","","F.Piestert; R.Fetouaki; M.Bogza; T.Oeser; J.Blumel","Easy one-pot syntheses of new dppm-type linkers for immobilizations","Chemical Communications","2005","","","","","10.1039/b413642j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100913","20.876","0.0006","12.3647","0.0002","10.9125","0.0002","90","","90","","90","","2816.79","0.11","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","tetracobalt(ii)tetra-2-mercaptonicotinate hydrate","","","- C24 H14 Co4 N4 O9 S4 -","- C24 H14 Co4 N4 O9 S4 -","- C96 H56 Co16 N16 O36 S16 -","4","1","","Paul Wood; Antonio Alberola; Carlos J. Gomez Garcia; Simon Humphrey","A new Co(II) coordination solid with mixed oxygen, carboxylate, pyridine and thiolate donors exhibiting canted antiferromagnetism with TC ? 68 K.","Chemical Communications","2006","","","","","10.1039/b600347h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101034","20.776","0.005","21.001","0.007","19.8","0.004","90","","90","","90","","8639","4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C34 H52 N10 O12 -","- C34 H52 N10 O12 -","- C272 H416 N80 O96 -","8","2","","H. Hailes; Abil Aliev; Peter N. Horton; M. Hursthouse; Valerie G. H. Lafitte","Highly Stable Cyclic Dimers Based on Noncovalent Interactions","Chemical Communications","2006","","","","","10.1039/b600459h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101240","11.7937","0.0004","12.9224","0.0005","18.4121","0.0006","90","","90","","90","","2806.06","0.17","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H12 O3 -","- C19 H12 O3 -","- C152 H96 O24 -","8","2","","Wang, Chao-Yu; Yeh, Yu-Shan; Li, Elise Y.; Liu, Yi-Hong; Peng, Shiuh-Ming; Liu, Shiuh-Tzung; Chou, Pi-Tai","A new class of laser dyes, 2-oxa-bicyclo[3.3.0]octa-4,8-diene-3,6-diones, with unity fluorescence yield","Chemical Communications (Cambridge, United Kingdom)","2006","","25","2693","2695","10.1039/b604539a","","","0.71073","MoKα","","0.1092","0.0692","","","0.1411","0.1765","","","","","","1.039","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7101441","31.474","0.007","14.028","0.004","9.3475","0.0018","90","","90","","90","","4127.2","1.7","173.1","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H43 B N4 Ni O3 -","- C44 H41 B N4 Ni O3 -","- C176 H164 B4 N16 Ni4 O12 -","4","1","","Shinobu Itoh; Takayuki Nagataki; Yoshimitsu Tachi","Ni(II)(TPA) as an efficient catalyst for alkane hydroxylation with m-CPBA","Chemical Communications","2006","","38","","","10.1039/b608311k","","","0.71075","MoKα","","","0.0576","","","","0.0958","","","","","","1.007","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101660","14.4494","0.0008","9.2234","0.0005","17.7795","0.001","90","","90","","90","","2369.5","0.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C22 H28 Li N2 O2 P S2 -","- C22 H28 Li N2 O2 P S2 -","- C88 H112 Li4 N8 O8 P4 S8 -","4","1","","Stey, Thomas; Henn, Julian; Stalke, Dietmar","The P(bth)2- anion as a Janus head staple between lithium and manganese (bth = benzothiazol-2-yl, C7H4NS).","Chemical communications (Cambridge, England)","2007","","4","413","415","10.1039/b612247g","","","0.71073","MoKα","","0.0314","0.0294","","","0.0695","0.0703","","","","","","1.049","","","","has coordinates,has disorder","180118","2020-10-21","18:00:00",""
"7101888","23.78","0.01","4.56","0.003","11.134","0.007","90","","90","","90","","1207.3","1.2","298","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Batchu, Venkateswara Rao; Barange, Deepak Kumar; Kumar, Dinesh; Sreekanth, Bukkapattanam R.; Vyas, K.; Reddy, E. Amarender; Pal, Manojit","Tandem C‒C coupling ‒ intramolecular acetylenic Schmidt reaction under Pd/C‒Cu catalysis","Chemical Communications (Cambridge, United Kingdom)","2007","","19","1966","1968","10.1039/b617823e","","","0.7107","MoKα","","","0.056","","","","0.065","","","","","","1.12","","","","has coordinates","210680","2020-10-21","18:00:00",""
"7101907","21.078","0.002","8.1839","0.0006","9.0746","0.0006","90","","90","","90","","1565.4","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H10 Cl4 Te -","- C14 H10 Cl4 Te -","- C56 H40 Cl16 Te4 -","4","1","","Daniliuc, Constantin; Druckenbrodt, Christian; Hrib, Cristian G.; Ruthe, Frank; Blaschette, Armand; Jones, Peter G.; du Mont, Wolf-W.","The first trialkylphosphane telluride complexes of Ag(I): molecular, ionic and supramolecular structural alternatives","Chemical Communications (Cambridge, United Kingdom)","2007","","20","2060","2062","10.1039/b700917h","","","0.71073","MoKα","","0.0191","0.0182","","","0.0438","0.0442","","","","","","1.05","","","","has coordinates","210389","2020-10-21","18:00:00",""
"7101993","23.784","0.003","14.529","0.0016","16.258","0.002","90","","90","","90","","5618.1","1.2","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C62 H39 F15 N4 O3 -","- C62 H39 F15 N4 O3 -","- C248 H156 F60 N16 O12 -","4","1","","Rosenthal, Joel; Chng, Leng Leng; Fried, Stephen D; Nocera, Daniel G","Stereochemical control of H2O2 dismutation by Hangman porphyrins.","Chemical communications (Cambridge, England)","2007","","25","2642","2644","10.1039/b616884a","","","0.71073","MoKα","","0.0955","0.0708","","","0.1712","0.1842","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101997","9.3026","0.0019","9.4892","0.0019","26.467","0.005","90","","90","","90","","2336.4","0.8","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H20 N10 -","- C28 H20 N10 -","- C112 H80 N40 -","4","1","","Rajadurai, Chandrasekar; Fuhr, Olaf; Kruk, Robert; Ghafari, Mohammed; Hahn, Horst; Ruben, Mario","Above room temperature spin transition in a metallo-supramolecular coordination oligomer/polymer.","Chemical communications (Cambridge, England)","2007","","25","2636","2638","10.1039/b702468a","","","0.71073","MoKα","","0.101","0.0527","","","0.1095","0.1261","","","","","","0.926","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102000","19.579","0.002","11.268","0.0008","29.077","0.003","90","","90","","90","","6414.9","1","100","2","100","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C120 Cl10 -","- C120 Cl10 -","- C480 Cl40 -","4","1","","Troyanov, Sergey I; Kemnitz, Erhard","Singly-bonded fullerene dimers: neutral (C(60)Cl(5))(2) and cationic (C(70))(2)(2+).","Chemical communications (Cambridge, England)","2007","","26","2707","2709","10.1039/b702665j","","","0.91","synchrotron","","0.1722","0.1129","","","0.2336","0.2594","","","","","","1.191","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102178","18.427","0.002","9.0712","0.0012","11.8143","0.0015","90","","90","","90","","1974.8","0.4","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H19 N3 O4 U -","- C21 H19 N3 O4 U -","- C84 H76 N12 O16 U4 -","4","1","","Bharara, Mohan S; Tonks, Stephen A; Gorden, Anne E V","Uranyl stabilized Schiff base complex.","Chemical communications (Cambridge, England)","2007","","39","4006","4008","10.1039/b712322a","","","0.71073","MoKα","","0.0286","0.0254","","","0.0574","0.0589","","","","","","0.968","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7102220","11.5727","0.0009","11.7784","0.001","25.579","0.002","90","","90","","90","","3486.6","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H24 Cl2 O5 -","- C17 H24 Cl2 O5 -","- C136 H192 Cl16 O40 -","8","2","","Khan, Faiz Ahmed; Sudheer, Ch.; Soma, Laxminarayana","Lead(IV) acetate: intriguing reactivity profile","Chemical Communications (Cambridge, United Kingdom)","2007","","41","4239","4241","10.1039/b708268a","","","0.71073","MoKα","","0.0608","0.0494","","","0.1069","0.1284","","","","","","1.072","","","","has coordinates","209674","2020-10-21","18:00:00",""
"7102624","13.7541","0.0004","7.2352","0.0003","14.7958","0.0007","90","","90","","90","","1472.38","0.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H8 Cu3 N3 O4 -","- C13 H8 Cu3 N3 O4 -","- C52 H32 Cu12 N12 O16 -","4","1","","Kang, Yao; Yao, Yuan-Gen; Qin, Ye-Yan; Zhang, Jian; Chen, Yu-Biao; Li, Zhao-Ji; Wen, Yi-Hang; Cheng, Jian-Kai; Hu, Rui-Feng","A novel ligand-unsupported 3D framework polymer of trimeric copper(I) and its NLO property.","Chemical communications (Cambridge, England)","2004","","9","1046","1047","10.1039/b401345j","","","0.71073","MoKα","","0.0452","0.0352","","","0.0826","0.0906","","","","","","1.016","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7103047","18.053","0.002","14.6836","0.0017","14.5977","0.0017","90","","90","","90","","3869.7","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H34 Fe N2 P4 -","- C12 H34 Fe N2 P4 -","- C96 H272 Fe8 N16 P32 -","8","2","","Field, Leslie D; Li, Hsiu L; Dalgarno, Scott J; Turner, Peter","The first side-on bound metal complex of diazene, HN[double bond]NH.","Chemical communications (Cambridge, England)","2008","","14","1680","1682","10.1039/b802039f","","","0.71073","MoKα","","0.0634","0.0418","","","0.0793","0.087","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103098","19.9448","0.0002","14.8201","0.0002","37.3546","0.0006","90","","90","","90","","11041.4","0.3","200","","200","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C80 H37 F3 N O10 S -","- C80 H37 F3 N O10 S -","- C640 H296 F24 N8 O80 S8 -","8","2","","Yang, Xiaobing; Gan, Liangbing; Wang, Zheming","Controlled regio- and chemoselective addition of isothiocyanate to the dione moiety of a cage-opened fullerene-mixed peroxide derivative.","Chemical communications (Cambridge, England)","2008","","17","1980","1982","10.1039/b800722e","","","0.71073","MoKα","","0.2121","0.0788","","","0.1598","0.2099","","","","","","0.961","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7103493","15.025","0.003","14.182","0.003","16.401","0.002","90","","90","","90","","3494.7","1.1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","catena-dichlorido(mu-1,4,7-trithiacyclononane)germanium(ii)","catena-dichlorido(mu-1,4,7-trithiacyclononane)germanium(II)","","- C6 H12 Cl2 Ge S3 -","- C6 H12 Cl2 Ge S3 -","- C72 H144 Cl24 Ge12 S36 -","12","3","","Cheng, Fei; Hector, Andrew L; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Coordination networks derived from germanium(ii) thioether macrocyclic complexes-the first authenticated chalcogenoether complexes of Ge(ii).","Chemical communications (Cambridge, England)","2008","","43","5508","5510","10.1039/b809444f","","","0.71073","MoKα","","0.0687","0.0467","","","0.087","0.0966","","","","","","1.015","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103552","19.8857","0.0013","6.7009","0.0004","27.6711","0.0018","90","","90","","90","","3687.2","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C48 H38 N4 -","- C48 H38 N4 -","- C192 H152 N16 -","4","1","","Jiang, Xuan; Gyu Park, Byung; Riddle, Justin A; June Zhang, Bong; Pink, Maren; Lee, Dongwhan","Torsionally restricted tetradentate fluorophore: a swivelling ligand platform for ratiometric sensing of metal ions.","Chemical communications (Cambridge, England)","2008","","45","6028","6030","10.1039/b812261j","","","0.71073","MoKα","","0.0602","0.0515","","","0.1336","0.1391","","","","","","1.056","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00",""
"7103964","18.064","0.004","8.3447","0.0017","30.103","0.006","90","","90","","90","","4537.6","1.6","153","2","153","2","","","","","","","","7","P c a 21","P 2c -2ac","29","(CGC)phosphium aluminum tetrachloride","t-butyl(dimetyl(tetra-methylcyclopentadienyl)silyl)amido phosphium aluminum tetrachloride","","- C13.33 H24 Al0.89 Cl3.56 N0.89 P0.89 Si0.89 -","- C13.3333 H24 Al0.888889 Cl3.55556 N0.888889 P0.888889 Si0.888889 -","- C120 H216 Al8 Cl32 N8 P8 Si8 -","9","2.25","","Wiacek, Robert J.; Macdonald, Charles L. B.; Jones, Jamie N.; Pietryga, Jeffrey M.; Cowley, Alan H.","The contrasting behaviour of bridged amido-cyclopentadienyl (constrained geometry) group 15 chlorides and cations derived therefrom","Chemical Communications (Cambridge, United Kingdom)","2003","","3","430","431","10.1039/b211591c","","","0.71073","MoKα","","0.0862","0.0767","","","0.196","0.206","","","","","","1.082","","","","has coordinates","209679","2020-10-21","18:00:00",""
"7103968","18.184","0.004","8.2774","0.0017","30.284","0.006","90","","90","","90","","4558.2","1.6","153","2","153","2","","","","","","","","7","P c a 21","P 2c -2ac","29","(CGC)phosphium arsenium tetrachloride","t-butyl(dimetyl(tetra-methylcyclopentadienyl)silyl)amido arsenium aluminum tetrachloride","","- C15 H27 Al As Cl4 N Si -","- C15 H27 Al As Cl4 N Si -","- C120 H216 Al8 As8 Cl32 N8 Si8 -","8","2","","Wiacek, Robert J.; Macdonald, Charles L. B.; Jones, Jamie N.; Pietryga, Jeffrey M.; Cowley, Alan H.","The contrasting behaviour of bridged amido-cyclopentadienyl (constrained geometry) group 15 chlorides and cations derived therefrom","Chemical Communications (Cambridge, United Kingdom)","2003","","3","430","431","10.1039/b211591c","","","0.71073","MoKα","","0.0918","0.0678","","","0.1544","0.172","","","","","","1.061","","","","has coordinates","209679","2020-10-21","18:00:00",""
"7104014","18.926","0.012","9.932","0.006","11.51","0.008","90","","90","","90","","2164","2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H18 Cl2 Ga N Sn -","- C23 H18 Cl2 Ga N Sn -","- C92 H72 Cl8 Ga4 N4 Sn4 -","4","1","","J.Hoeflemeyer; F.Gabbai","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b212127a","","","0.71073","MoKα","","0.1021","0.0541","","","0.0887","0.1011","","","","","","1.012","","","","has coordinates","180143","2020-10-21","18:00:00",""
"7104026","20.1496","0.0019","14.6344","0.0015","19.2905","0.0012","90","","90","","90","","5688.3","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C61 H57 N9 O8 U Zn2 -","- C61 H57 N9 O8 U Zn2 -","- C244 H228 N36 O32 U4 Zn8 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Girerd, Jean-Jacques; Ephritikhine, Michel","Structure and magnetism of the first strictly dinuclear compound containing paramagnetic 3d and 5f metal ions. Major influence of the CuII ion coordination on the exchange CuII‒UIV interaction","Chemical Communications (Cambridge, United Kingdom)","2003","","6","762","763","10.1039/b212635d","","","0.71073","MoKα","","0.1896","0.0741","","","0.1281","0.1679","","","","","","0.956","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104131","19.6658","0.0009","8.9899","0.0004","13.6956","0.0006","90","","90","","90","","2421.29","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H24 Co2 N2 O9 -","- C22 H24 Co2 N2 O9 -","- C88 H96 Co8 N8 O36 -","4","1","","Zhang, Jian; Bu, Xianhui","Absolute helicity induction in three-dimensional homochiral frameworks.","Chemical communications (Cambridge, England)","2008","34","2","206","208","10.1039/b816742g","","","0.71073","MoKα","","0.0673","0.045","","","0.0889","0.0952","","","","","","0.93","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104164","15.1267","0.0011","7.4563","0.0006","14.3719","0.0011","90","","90","","90","","1621","0.2","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Beta-1,3,5-trinitrohexahydro-1,3,5-triazine","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","2","","Millar, David I A; Oswald, Iain D H; Francis, Duncan J; Marshall, William G; Pulham, Colin R; Cumming, Adam S","The crystal structure of beta-RDX-an elusive form of an explosive revealed.","Chemical communications (Cambridge, England)","2009","34","5","562","564","10.1039/b817966b","","","0.71073","MoKα","","0.0672","0.0465","","0.0912","0.0847","0.0912","","","","","","0.8136","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104165","15.0972","0.0007","7.5463","0.0004","14.4316","0.0006","90","","90","","90","","1644.16","0.13","273","","273","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Beta-1,3,5-trinitrohexahydro-1,3,5-triazine","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","2","","Millar, David I A; Oswald, Iain D H; Francis, Duncan J; Marshall, William G; Pulham, Colin R; Cumming, Adam S","The crystal structure of beta-RDX-an elusive form of an explosive revealed.","Chemical communications (Cambridge, England)","2009","34","5","562","564","10.1039/b817966b","","","0.71073","MoKα","","0.0975","0.0525","","0.1405","0.1292","0.1405","","","","","","0.7647","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104477","11.8352","","8.5601","","14.8199","","90","","90","","90","","1501.41","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","?","- C64 H72 N8 O16 -","- C64 H72 N8 O16 -","","","","Perrin, Marc-Antoine; Neumann, Marcus A; Elmaleh, Hagit; Zaske, Lionel","Crystal structure determination of the elusive paracetamol Form III.","Chemical communications (Cambridge, England)","2009","34","22","3181","3183","10.1039/b822882e","","","","","","","","","","","","","","","","","","","","","has coordinates","180147","2020-10-21","18:00:00",""
"7104478","11.628024","","8.594619","","14.653431","","90","","90","","90","","1464.44","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","?","- C64 H72 N8 O16 -","- C64 H72 N8 O16 -","","","","Perrin, Marc-Antoine; Neumann, Marcus A; Elmaleh, Hagit; Zaske, Lionel","Crystal structure determination of the elusive paracetamol Form III.","Chemical communications (Cambridge, England)","2009","34","22","3181","3183","10.1039/b822882e","","","","","","","","","","","","","","","","","","","","","has coordinates","180147","2020-10-21","18:00:00",""
"7104534","11.804","0.0002","13.1961","0.0003","23.5991","0.0004","90","","90","","90","","3675.96","0.12","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21.5 H21 Cl N2 -","- C21.5 H21 Cl N2 -","- C172 H168 Cl8 N16 -","8","2","","Chen, Zhiyuan; Yang, Xiaodi; Wu, Jie","AgOTf-catalyzed tandem reaction of N'-(2-alkynylbenzylidene)hydrazide with alkyne.","Chemical communications (Cambridge, England)","2009","34","23","3469","3471","10.1039/b904498a","","","0.71073","MoKα","","0.141","0.0911","","","0.2659","0.3158","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7104878","11.039","0.005","13.297","0.005","16.607","0.005","90","","90","","90","","2437.7","1.6","293","","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H41 Cl Co N5 O9 -","- C14 H41 Cl Co N5 O9 -","- C56 H164 Cl4 Co4 N20 O36 -","4","1","","Rahman, A. F. M. Mokhlesur; Jackson, W. Gregory; Willis, Anthony C.; Rae, A. David","Synthesis and crystal and molecular structure of a hydrido tetraamine cobalt(III) complex","Chemical Communications (Cambridge, United Kingdom)","2003","","21","2748","2749","10.1039/b309503g","","","0.7107","MoKα","","","0.064","","","","0.08","","","","","","1.34","","","","has coordinates","210701","2020-10-21","18:00:00",""
"7104880","13.9254","0.0006","18.4546","0.0007","11.2231","0.0005","90","","90","","90","","2884.2","0.2","158","2","158","2","","","","","","","","6","P c a 21","P 2c -2ac","29","LH2Zn2Cl4aCH2Cl2","","","- C21 H30 Cl6 N4 O Zn2 -","- C21 H30 Cl6 N4 O Zn2 -","- C84 H120 Cl24 N16 O4 Zn8 -","4","1","","Hlavinka, Mark L.; Hagadorn, John R.","New dibenzofuran-bridged bis(amidoamine) and bis(ethylenediamine) ligands and their dinuclear zinc and aluminium complexes","Chemical Communications (Cambridge, United Kingdom)","2003","","21","2686","2687","10.1039/b309732c","","","0.71073","MoKα","","0.038","0.0337","","","0.0814","0.0838","","","","","","1.047","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7105146","13.2142","0.0012","13.768","0.0013","15.0238","0.001","90","","90","","90","","2733.3","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H33 I2 N6 Rh -","- C21 H33 I2 N6 Rh -","- C84 H132 I8 N24 Rh4 -","4","1","","Krüger, Anneke; Neels, Antonia; Albrecht, Martin","Rhodium-mediated activation of an alkane-type C-H bond.","Chemical communications (Cambridge, England)","2009","46","2","315","317","10.1039/b918660c","","","0.71073","MoKα","","0.0464","0.0374","","","0.0846","0.0875","","","","","","0.985","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105154","38.5784","0.001","13.584","0.0004","32.0739","0.0008","90","","90","","90","","16808.3","0.8","258","2","258","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C164 H156 Cu2 N8 O30 -","- C164 H156 Cu2 N8 O30 -","- C656 H624 Cu8 N32 O120 -","4","1","","Li, Qiaowei; Zhang, Wenyu; Miljanić, Ognjen S; Knobler, Carolyn B; Stoddart, J Fraser; Yaghi, Omar M","A metal-organic framework replete with ordered donor-acceptor catenanes.","Chemical communications (Cambridge, England)","2010","46","3","380","382","10.1039/b919923c","","","1.54178","CuKα","","0.3152","0.2901","","","0.5911","0.6108","","","","","","2.544","","","","has coordinates,has disorder","180155","2020-10-21","18:00:00",""
"7105155","38.5784","0.001","13.584","0.0004","32.0739","0.0008","90","","90","","90","","16808.3","0.8","258","2","258","2","","","","","","","","5","P c a 21","P 2c -2ac","29","mof1011 squeeze","","","- C164 H156 Cu2 N8 O28 -","- C164 H156 Cu2 N8 O28 -","- C656 H624 Cu8 N32 O112 -","4","1","","Li, Qiaowei; Zhang, Wenyu; Miljanić, Ognjen S; Knobler, Carolyn B; Stoddart, J Fraser; Yaghi, Omar M","A metal-organic framework replete with ordered donor-acceptor catenanes.","Chemical communications (Cambridge, England)","2010","46","3","380","382","10.1039/b919923c","","","1.54178","CuKα","","0.2215","0.1976","","","0.4629","0.4854","","","","","","1.829","","","","has coordinates,has disorder","180155","2020-10-21","18:00:00",""
"7105189","12.965","0.002","5.9808","0.0009","19.254","0.003","90","","90","","90","","1493","0.4","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H9 B Cr N2 O5 -","- C12 H9 B Cr N2 O5 -","- C48 H36 B4 Cr4 N8 O20 -","4","1","","Marwitz, Adam J V; McClintock, Sean P; Zakharov, Lev N; Liu, Shih-Yuan","BN benzonitrile: an electron-deficient 1,2-dihydro-1,2-azaborine featuring linkage isomerism.","Chemical communications (Cambridge, England)","2010","46","5","779","781","10.1039/b919632c","","","0.71073","MoKα","","0.0538","0.039","","","0.0778","0.0864","","","","","","1.003","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105539","14.829","0.004","15.582","0.005","23.732","0.007","90","","90","","90","","5484","3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C63 H65 N O6 -","- C63 H65 N O6 -","- C252 H260 N4 O24 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Venugopalan, P.","Engineering of ternary co-crystals based on differential binding of guest molecules by a tetraarylpyrene inclusion host","Chemical Communications","2010","46","20","3574","","10.1039/b922085b","","","0.71073","MoKα","","0.1601","0.0944","","","0.2098","0.2424","","","","","","1.056","","","","has coordinates,has disorder","180159","2020-10-21","18:00:00",""
"7105671","16.4516","0.0005","10.4221","0.0003","15.5783","0.0005","90","","90","","90","","2671.06","0.14","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C38 H28 O2 -","- C38 H28 O2 -","- C152 H112 O8 -","4","1","","Hongyin Gao; Xingxing Wu; Junliang Zhang","Exo/endo selectivity-control in Lewis-acid catalyzed tandem heterocyclization/formal [4+3] cycloaddition: synthesis of polyheterocycles from 2-(1-alkynyl)-2-alken-1-ones and 1,3-diphenylisobenzofuran","Chem.Commun.","2010","46","","8764","","10.1039/c0cc02778b","","","0.71073","MoKα","","0.0272","0.0265","","","0.0701","0.0708","","","","","","1.046","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7105948","17.364","0.004","16.539","0.004","19.385","0.005","90","","90","","90","","5567","2","172","2","172","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C56 H86 Co N8 O4 -","- C56 H86 Co N8 O4 -","- C224 H344 Co4 N32 O16 -","4","1","","Savita K. Sharma; Philip S. May; Matthew B. Jones; Sheri Lense; Kenneth I. Hardcastle; Cora E. MacBeth","Catalytic dioxygen activation by Co(II) complexes employing a coordinatively versatile ligand scaffold","Chem.Commun.","2011","47","","1827","","10.1039/c0cc04671j","","","0.71073","MoKα","","0.1796","0.0662","","","0.1229","0.1544","","","","","","1.006","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7106287","35.417","0.003","7.7792","0.0007","12.6482","0.0011","90","","90","","90","","3484.8","0.5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C168 H160 O48 -","8","2","","Palash Sanphui; N. Rajesh Goud; U. B. Rao Khandavilli; Sreenu Bhanoth; Ashwini Nangia","New polymorphs of curcumin","Chem.Commun.","2011","47","","5013","","10.1039/c1cc10204d","","","0.71073","MoKα","","0.0584","0.0524","","","0.1216","0.1249","","","","","","1.07","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106360","25.2744","0.0005","9.2749","0.0002","11.1815","0.0002","90","","90","","90","","2621.14","0.09","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H21 F6 N -","- C32 H21 F6 N -","- C128 H84 F24 N4 -","4","1","","Cui-Hua Zhao; Yi-Hong Zhao; Hong Pan; Guang-Liang Fu","Highly solid-state emissive para-terphenyls laterally substituted with a diphenylamino group","Chem.Commun.","2011","47","","5518","","10.1039/c1cc10502g","","","0.71069","MoKα","","0.0946","0.0646","","","0.1976","0.2393","","","","","","0.851","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106400","12.084","0.0006","9.9231","0.0004","14.3845","0.0006","90","","90","","90","","1724.86","0.13","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H13 N7 O2 Zn2 -","- C15 H13 N7 O2 Zn2 -","- C60 H52 N28 O8 Zn8 -","4","1","","Fei Wang; Yan-Xi Tan; Hui Yang; Haixia Zhang; Yao Kang; Jian Zhang","A new approach towards tetrahedral imidazolate frameworks for high and selective CO2 uptake","Chem.Commun.","2011","47","","5828","","10.1039/c1cc10829h","","","0.71073","MoKα","","0.0526","0.0337","","","0.0744","0.0821","","","","","","1.008","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106460","18.4348","0.001","13.7677","0.0006","28.5655","0.0017","90","","90","","90","","7250.1","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C86 H92 Cu2 N4 O S2 -","- C86 H92 Cu2 N4 O S2 -","- C344 H368 Cu8 N16 O4 S8 -","4","1","","Peter Haack; Christian Limberg; Thomas Tietz; Ramona Metzinger","Unprecedented Binding of CS2 in a Dinuclear Copper(I) Complex","Chem.Commun.","2011","47","","6374","","10.1039/c1cc11518a","","","0.71073","MoKα","","0.0729","0.0528","","","0.1206","0.1295","","","","","","0.886","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106498","17.898","0.0009","8.229","0.0004","15.4709","0.0006","90","","90","","90","","2278.6","0.18","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Xufeng Lin; Zhenjun Mao; Xixiang Dai; Ping Lu; Yanguang Wang","A straightforward one-pot multicomponent synthesis of polysubstituted pyrroles","Chem.Commun.","2011","47","","6620","","10.1039/c1cc11363a","","","0.71073","MoKα","","0.069","0.0544","","","0.1461","0.1597","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106720","26.055","0.004","15.571","0.002","14.686","0.002","90","","90","","90","","5958.1","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2+3cage","","","- C144 H156 N12 O6 -","- C138 H132 N12 -","- C276 H264 N24 -","2","0.5","","Shan Jiang; John Bacsa; Xiaofeng Wu; James T. A. Jones; Robert Dawson; Abbie Trewin; Dave J. Adams; Andrew I. Cooper","Selective gas sorption in a [2+3] 'propeller' cage crystal","Chem.Commun.","2011","47","","8919","","10.1039/c1cc12460a","","","0.71073","MoKα","","0.088","0.0556","","","0.116","0.1262","","","","","","0.949","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106842","21.7497","0.0006","22.539","0.0004","17.9477","0.0006","90","","90","","90","","8798.3","0.4","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H36 B Cl F15 P -","- C48 H36 B Cl F15 P -","- C384 H288 B8 Cl8 F120 P8 -","8","2","","Olga Ekkert; Gerald Kehr; Roland Frohlich; Gerhard Erker","Phosphirenium-borate zwitterion: formation in the 1,1-carboboration reaction of phosphinylalkynes","Chem.Commun.","2011","47","","10482","","10.1039/c1cc13008k","","","1.54178","CuKα","","0.0736","0.0586","","","0.1419","0.1567","","","","","","1.033","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106969","27.0027","0.0016","3.8705","0.0002","11.6121","0.0007","90","","90","","90","","1213.63","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","","Guo-Ping Yong.; Wen-Long She; Yi-Man Zhang; Ying-Zhou Li","From zwitterionic radical to neutral radical with unusual magnetic properties: First K-promoted air oxidative ring opening reaction of aromatic N-heterocycle","Chem.Commun.","2011","47","","11766","","10.1039/c1cc14420k","","","1.54184","CuKα","","0.0478","0.0448","","","0.1049","0.1061","","","","","","1.024","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7107137","9.3448","0.0002","12.5431","0.0004","10.2747","0.0003","90","","90","","90","","1204.33","0.06","123.1","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","","0.0443","","","","0.0467","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107150","23.209","0.001","25.099","0.001","20.61","0.001","90","","90","","90","","12005.8","0.9","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H84 Fe2 O4 P4 Si2 -","- C60 H84 Fe2 O4 P4 Si2 -","- C480 H672 Fe16 O32 P32 Si16 -","8","2","","Duncan Carmichael; Aurelie Escalle-Lewis; Xavier Le Goff; Gilles Frison; Eric Muller","Stepwise syntheses of tri- and tetraphosphaporphyrinogens","Chem.Commun.","2012","48","","302","304","10.1039/c1cc15421d","","","0.71069","MoKα","","0.097","0.0566","","","0.147","0.173","","","","","","1.036","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107410","23.8786","0.0015","20.3401","0.0012","17.4648","0.0011","90","","90","","90","","8482.5","0.9","143","2","143","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C86 H125 B Mn2 N12 O3 -","- C86 H125 B Mn2 N12 O3 -","- C344 H500 B4 Mn8 N48 O12 -","4","1","","Gary K.-Y. Ng; Joseph W. Ziller; Andrew Borovik","Preparation and structures of dinuclear complexes containing M<sup>II</sup>-OH centers","Chem. Commun.","2012","48","","2546","","10.1039/c2cc16277f","","","0.71073","MoKα","","0.097","0.0786","","","0.221","0.2426","","","","","","1.042","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107811","26.6672","0.0006","8.5931","0.0002","10.7151","0.0002","90","","90","","90","","2455.41","0.09","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H28 B2 N4 S2 -","- C26 H28 B2 N4 S2 -","- C104 H112 B8 N16 S8 -","4","1","","Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias","An inorganic propellane with central B‒B bond","Chemical Communications (Cambridge, United Kingdom)","2012","48","47","5886","5888","10.1039/c2cc32256k","","","0.71073","MoKα","","0.0424","0.041","","","0.109","0.1099","","","","","","1.106","","","","has coordinates","211021","2020-10-21","18:00:00",""
"7107848","19.0797","0.0002","14.5742","0.0001","39.3043","0.0004","90","","90","","90","","10929.4","0.18","223","2","223","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C56 H39 B Cl2 F20 P2 Zr -","- C56 H39 B Cl2 F20 P2 Zr -","- C448 H312 B8 Cl16 F160 P16 Zr8 -","8","2","","Xin Xu; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reactions of a methylzirconocene cation with phosphinoalkynes: an alternative pathway for generating Cp2Zr(II) systems","Chem.Commun.","2012","48","","6109","","10.1039/c2cc31883k","","","0.71073","MoKα","","0.0639","0.05","","","0.0964","0.1046","","","","","","1.081","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107861","8.6625","0.0002","13.8534","0.0003","11.4816","0.0002","90","","90","","90","","1377.85","0.05","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H19 I O3 -","- C16 H19 I O3 -","- C64 H76 I4 O12 -","4","1","","Stephen J. Murray; Helge Muller-Bunz; Hasim Ibrahim","Congested C2-symmetric aryliodanes based on an anti-dimethanoanthracene backbone","Chem.Commun.","2012","48","","6268","","10.1039/c2cc32280c","","","1.54184","CuKα","","0.0264","0.0251","","","0.0663","0.0673","","","","","","1.068","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7108132","19.8063","0.0006","7.1749","0.0003","22.0931","0.0008","90","","90","","90","","3139.6","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H20 B N3 O4 -","- C14 H20 B N3 O4 -","- C112 H160 B8 N24 O32 -","8","2","","Ming-Cheng Kuo; Hsiao-Fan Chen; Jing-Jong Shyue; Dario M. Bassani; Ken-Tsung Wong","In situ reversible conversion of porphyrin aggregate morphology","Chem.Commun.","2012","48","","8051","","10.1039/c2cc33438k","","","1.54178","CuKα","","0.0581","0.0544","","","0.1423","0.1564","","","","","","0.87","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108248","31.177","0.014","9.345","0.004","8.033","0.004","90","","90","","90","","2340.4","1.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H28 N2 O5 S -","- C25 H28 N2 O5 S -","- C100 H112 N8 O20 S4 -","4","1","","Shaoyu Li; Jie Wu","A copper(I)-catalyzed reaction of 2-(2-ethynylphenyl)oxirane, sulfonyl azide, with 2-isocyanoacetate","Chem.Commun.","2012","48","","8973","","10.1039/c2cc34591a","","","0.71073","MoKα","","0.0528","0.0436","","","0.1042","0.1094","","","","","","1.044","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108387","40.4567","0.0012","13.2186","0.0004","26.4512","0.0007","90","","90","","90","","14145.6","0.7","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2TMS4-TBQ.2C60.1.25toluene.0.75benzene","","","- C221.25 H110.5 Si8 -","- C221.25 H110.5 Si8 -","- C885 H442 Si32 -","4","1","","Benjamin T. King; Marilyn M. Olmstead; Kim K. Baldridge; Bharat Kumar; Alan L. Balch; Jafar Attar Gharamaleki","Co-crystals of tetrabenzoquadrannulene and C60: application of the sphere in a cone model","Chem.Commun.","2012","48","","9882","","10.1039/c2cc34472f","","","0.7749","synchrotron","","0.1105","0.0919","","","0.2336","0.2522","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108495","29.0224","0.0005","8.4172","0.0001","27.4938","0.0004","90","","90","","90","","6716.39","0.17","90","2","90","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C57.28 H35 Co N19.31 O13.68 -","- C57.277 H35 Co N19.321 O13.667 -","- C229.108 H140 Co4 N77.284 O54.668 -","4","1","","Yumi Yakiyama; Akira Ueda; Yasushi Morita; Masaki Kawano","Crystal surface mediated structure transformation of a kinetic framework composed of multi-interactive ligand TPHAP and Co(II)","Chem.Commun.","2012","48","","10651","","10.1039/c2cc35078e","","","0.6889","synchrotron","","0.0995","0.0697","","","0.1793","0.1905","","","","","","0.998","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108670","20.4479","0.0017","3.9674","0.0003","13.2324","0.0012","90","","90","","90","","1073.48","0.16","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Qi Gao; Xian-chun Tan; Ying-ming Pan; Heng-shan Wang; Ying Liang","Palladium-catalyzed formation of phenolic compounds by reaction of carbonyl compounds with carbon dioxide","Chem.Commun.","2012","48","","12080","","10.1039/c2cc37194d","","","0.7107","MoKα","","0.0686","0.0526","","","0.1371","0.1491","","","","","","1.147","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108797","36.823","0.008","8.3144","0.0017","9.787","0.0017","90","","90","","90","","2996.4","1","296","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C35 H36 B2 F2 N2 -","- C35 H36 B2 F2 N2 -","- C140 H144 B8 F8 N8 -","4","1","","Chinna Ayya Swamy P; Sanjoy Mukherjee; Pakkirisamy Thilagar","Dual emissive borane-BODIPY dyads: molecular conformation control over electronic properties and fluorescence response towards fluoride ions","Chemical communications (Cambridge, England)","2013","49","10","993","995","10.1039/c2cc38352g","","","0.71073","MoKα","","0.2095","0.0695","","","0.1138","0.1538","","","","","","0.96","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108976","18.7202","0.0005","7.6215","0.0002","15.8566","0.0005","90","","90","","90","","2262.36","0.11","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H26 N O3 P -","- C26 H26 N O3 P -","- C104 H104 N4 O12 P4 -","4","1","","Florian Dulong; Jacky Pouessel; Pierre Thuery; Jean-Claude Berthet; Michel Ephritikhine; Thibault Cantat","Nitrite complexes of uranium and thorium","Chem.Commun.","2013","49","","2412","","10.1039/c3cc39163a","","","0.71073","MoKα","","0.0554","0.0469","","","0.1297","0.1351","","","","","","1.047","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108997","29.761","0.002","10.3371","0.0007","20.9993","0.0017","90","","90","","90","","6460.3","0.8","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H50 Hf N2 P2 S -","- C30 H50 Hf N2 P2 S -","- C240 H400 Hf8 N16 P16 S8 -","8","2","","Michael J. Sgro; Douglas W. Stephan","Activation of CO2 by phosphinoamide hafnium complexes","Chem.Commun.","2013","49","","2610","","10.1039/c3cc38286a","","","0.71073","MoKα","","0.0419","0.0308","","","0.0443","0.0469","","","","","","0.96","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7109074","17.1797","0.0015","6.1625","0.0005","14.895","0.0012","90","","90","","90","","1576.9","0.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Feijun Wang; Feng Chen; Mingliang Qu; Teng Li; Yunlong Liu; Min Shi","A Pd(II)-catalyzed asymmetric approach toward chiral [3.3.1]-bicyclic ketals using 2-hydroxyphenylboronic acid as a pro-bis(nucleophile)","Chem.Commun.","2013","49","","3360","","10.1039/c3cc00295k","","","0.71073","MoKα","","0.0471","0.0364","","","0.1011","0.1082","","","","","","0.98","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109204","15.433","0.0004","11.7351","0.0003","12.8692","0.0003","90","","90","","90","","2330.71","0.1","100","","100","","","","","","","","dichlormethane,ether","6","P c a 21","P 2c -2ac","29","","","","- C21 H33 B F4 N2 Se -","- C21 H33 B F4 N2 Se -","- C84 H132 B4 F16 N8 Se4 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","1.54184","Cu-Kα","","0.0293","0.0275","","","0.0638","0.0649","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109207","15.5383","0.0011","11.8089","0.0006","12.917","0.0002","90","","90","","90","","2370.1","0.2","100","","100","","","","","","","","dichlormethane","6","P c a 21","P 2c -2ac","29","","","","- C21 H33 B F4 N2 Te -","- C21 H33 B F4 N2 Te -","- C84 H132 B4 F16 N8 Te4 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0289","0.0243","","","0.0621","0.0688","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109386","23.5957","0.0018","9.4893","0.0006","7.7521","0.0005","90","","90","","90","","1735.7","0.2","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Ji Hee Kim; Devalina Ray; Chang Seop Hong; Jin Wook Hana; Chang Ho Oh","1,3-Dipolar cycloaddition of 4-platinumisochromenyliums with an olefin and tandem insertion into benzylic C-H bonds","Chem.Commun.","2013","49","","5690","","10.1039/c3cc42525h","","","0.71073","mokα","","0.1273","0.0542","","","0.1157","0.1511","","","","","","0.906","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109397","27.2309","0.0004","11.3692","0.0002","13.2763","0.0002","90","","90","","90","","4110.26","0.11","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H25 Co F6 N P -","- C18 H25 Co F6 N P -","- C144 H200 Co8 F48 N8 P8 -","8","2","","Yanlan Wang; Amalia Rapakousiou; Camille Latouche; Jean-Claude Daran; Anu Singh; Isabelle Ledoux-Rak; Jaime Ruiz; Jean-Yves Saillard; Didier Astruc","Mild uncatalyzed hydroamination of an electrophilic alkyne, ethynylcobalticinium","Chem.Commun.","2013","49","","5862","","10.1039/c3cc42211a","","","0.71073","MoKα","","0.0376","0.0316","","","0.0681","0.0712","","","","","","1.058","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109639","8.6092","0.001","13.784","0.0015","13.9589","0.0015","90","","90","","90","","1656.5","0.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Awais Ahmed; Steven D. R. Christie; Mark R. J. Elsegood; Gareth J. Pritchard","A mild Lewis acid mediated epoxy-ester to bicyclic ortho ester rearrangement","Chem.Commun.","2013","49","","7489","","10.1039/c3cc44364g","","","0.71073","MoKα","","0.0334","0.0278","","","0.0698","0.0738","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109731","22.395","0.004","14.688","0.003","11.2482","0.0019","90","","90","","90","","3700","1.2","93","","93","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36.37 H58.48 Mn N2 O6.37 -","- C36.373 H58.492 Mn N2 O6.373 -","- C145.492 H233.968 Mn4 N8 O25.492 -","4","1","","Takahiro Kikunaga; Takahiro Matsumoto; Takehiro Ohta; Hidetaka Nakai; Yoshinori Naruta; Kwang-Hyun Ahn; Yoshihito Watanabe; Seiji Ogo","Isolation of a MnIV acylperoxo complex and its monooxidation ability","Chem.Commun.","2013","49","","8356","","10.1039/c3cc43447h","","","0.71075","MoKα","","","0.0408","","","","0.0902","","","","","","0.989","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109732","22.357","0.007","14.738","0.005","11.448","0.004","90","","90","","90","","3772","2","123","","123","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H64 Mn N2 O7 -","- C37 H64 Mn N2 O7 -","- C148 H256 Mn4 N8 O28 -","4","1","","Takahiro Kikunaga; Takahiro Matsumoto; Takehiro Ohta; Hidetaka Nakai; Yoshinori Naruta; Kwang-Hyun Ahn; Yoshihito Watanabe; Seiji Ogo","Isolation of a MnIV acylperoxo complex and its monooxidation ability","Chem.Commun.","2013","49","","8356","","10.1039/c3cc43447h","","","0.71075","MoKα","","","0.0416","","","","0.1124","","","","","","1.04","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109792","18.456","0.003","14.233","0.002","12.5508","0.0019","90","","90","","90","","3296.9","0.9","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H47 O2 P3 Pd -","- C32 H47 O2 P3 Pd -","- C128 H188 O8 P12 Pd4 -","4","1","","Chen, Tieqiao; Guo, Cancheng; Goto, Midori; Han, Li-Biao","A Brønsted acid-catalyzed generation of palladium complexes: efficient head-to-tail dimerization of alkynes","Chemical Communications (Cambridge, United Kingdom)","2013","49","68","7498","7500","10.1039/c3cc43131b","","","0.71073","MoKα","","0.0279","0.0241","","","0.0591","0.061","","","","","","1.022","","","","has coordinates","210990","2020-10-21","18:00:00",""
"7109949","14.249","0.003","15.131","0.003","14.177","0.003","90","","90","","90","","3056.6","1.1","140","2","140","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H39 N O5 S2 -","- C32 H39 N O5 S2 -","- C128 H156 N4 O20 S8 -","4","1","","Jiaqi Zhang; Jiayu Jin; Lei Zou; He Tian","Reversible photo-controllable gels based on bisthienylethene-doped lecithin micelles","Chem.Commun.","2013","49","","9926","","10.1039/c3cc45805a","","","0.71073","MoKα","","0.1675","0.0711","","","0.1147","0.1402","","","","","","1.056","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109989","14.746","0.004","19.91","0.004","19.522","0.004","90","","90","","90","","5732","2","93","","93","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H39 Cl2 Cu N2 -","- C27 H39 Cl2 Cu N2 -","- C216 H312 Cl16 Cu8 N16 -","8","2","","Orlando Santoro; Alba Collado; Alexandra M. Z. Slawin; Steven P. Nolan; Catherine S. J. Cazin","A general synthetic route to [Cu(X)(NHC)] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes","Chem.Commun.","2013","49","","10483","","10.1039/c3cc45488f","","","0.71075","MoKα","","","0.0421","","","","0.14","","","","","","0.726","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7110130","26.4628","0.0017","11.6059","0.0006","19.5905","0.0012","90","","90","","90","","6016.7","0.6","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H42 Cl O4 Ti -","- C32 H42 Cl O4 Ti -","- C256 H336 Cl8 O32 Ti8 -","8","2","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.1137","0.0612","","","0.1158","0.1415","","","","","","1.048","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110188","8.8679","0.0018","15.764","0.003","13.088","0.003","90","","90","","90","","1829.6","0.7","296","2","296","2","","","","","","","synthesis","4","P c a 21","P 2c -2ac","29","","rac-(7aS,12R)-12-(3-Nitro-phenyl)-8,9,10,11-tetrahydro-7aH,12H-7-oxa-11a-aza-benzo[a]anthracene","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.0825","0.0456","","","0.0855","0.1078","","","","","","1.011","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110300","21.52","0.02","9.645","0.007","6.643","0.006","90","","90","","90","","1379","2","276","1","276","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C40 H64 N16 O24 -","4","1","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song","Cyclic water pentamer in a tape-like structure","Chemical Communications","2004","","19","2220","2221","10.1039/b404364b","","","0.71073","MoKα","","0.1117","0.0766","","","0.1925","0.2296","","","","","","0.964","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110301","21.519","0.003","9.5841","0.0009","6.5759","0.0005","90","","90","","90","","1356.2","0.3","90","1","90","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C40 H64 N16 O24 -","4","1","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song","Cyclic water pentamer in a tape-like structure","Chemical Communications","2004","","19","2220","2221","10.1039/b404364b","","","0.71073","MoKα","","0.0771","0.055","","","0.123","0.1353","","","","","","0.96","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110302","21.483","0.003","9.5933","0.0014","6.5701","0.001","90","","90","","90","","1354.1","0.3","90","1","90","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H8 D8 N4 O6 -","- C10 H8 D8 N4 O6 -","- C40 H32 D32 N16 O24 -","4","1","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song","Cyclic water pentamer in a tape-like structure","Chemical Communications","2004","","19","2220","2221","10.1039/b404364b","","","0.71073","MoKα","","0.0728","0.0589","","","0.1442","0.1554","","","","","","1.01","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110498","19.9139","0.0002","9.9449","0.0001","22.2254","0.0002","90","","90","","90","","4401.56","0.07","203","2","203","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C46 H48 N2 O4 Os P2 S2 Si -","- C46 H48 N2 O4 Os P2 S2 Si -","- C184 H192 N8 O16 Os4 P8 S8 Si4 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Woodman, Timothy J.; James Wright, L.","The synthesis and crystal structure of the first metal-bound stannatrane complex Os(Sn[OCH2CH2]3N)(η2-S2CNMe2)(CO)(PPh3)2: structural comparisons with the analogous silatrane complex Os(Si[OCH2CH2]3N)(η2-S2CNMe2)(CO)(PPh3)2","Chemical Communications","1999","","9","837","","10.1039/a901408j","","","0.71073","MoKα","","0.0395","0.0346","","","0.0737","0.0762","","","","","","1.173","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110513","16.896","0.009","9.848","0.005","12.815","0.01","90","","90","","90","","2132","2","293.2","","293.2","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H10 Fe2 O8 S W -","- C18 Fe2 O8 S W -","- C72 Fe8 O32 S4 W4 -","4","1","","Kuge, Katsuaki; Tobita, Hiromi; Ogino, Hiroshi","Synthesis and structures of heterometallic trinuclear clusters [CpFe(CO)2]2(μ3-S2)W(CO)5 and Cp2Fe2(CO)3(μ-CO)(μ3-S)W(CO)5 and kinetic study of migration of the W(CO)5 moiety in the disulfido complex","Chemical Communications","1999","","12","1061","","10.1039/a901660k","","","0.7107","MoKα","","","0.0387","","","0.0513","","","","","0.852","0.852","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110595","29.4854","0.0003","20.3867","0.0003","28.4247","0.0001","90","","90","","90","","17086.4","0.3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C100 H228 N6 Nb6 O78 Si2 W18 -","- C99 H216 N6 Nb6 O78 Si2 W18 -","- C396 H864 N24 Nb24 O312 Si8 W72 -","4","1","","Kim, Gyu-Shik; Zeng, Huadong; Rhule, Jeffrey T.; Weinstock, Ira A.; Hill, Craig L.","Synthesis, X-ray structure, and hydrolytic chemistry of the highly potent antiviral polyniobotungstate A-α-[Si2Nb6W18O77]8‒","Chemical Communications","1999","","17","1651","","10.1039/a903983j","","","0.71073","MoKα","","0.0919","0.0506","","","0.0941","0.1107","","","","","","0.988","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110648","38.53","0.002","19.1969","0.0009","20.3787","0.001","90","","90","","90","","15073.2","1.3","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C102.5 H213 Cl21 O16 P8 Pd4 -","- C102.5 H213 Cl21 O16 P8 Pd4 -","- C410 H852 Cl84 O64 P32 Pd16 -","4","1","","Clegg, William; Elsegood, Mark R. J.; Eastham, Graham R.; Tooze, Robert P.; Wang, Xiao Lan; Whiston, Keith","Highly active and selective catalysts for the production of methyl propanoate via the methoxycarbonylation of ethene","Chemical Communications","1999","","18","1877","","10.1039/a905521e","","","0.71073","MoKα","","0.1329","0.0723","","","0.1407","0.168","","","","","","1.05","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110920","17.4941","0.0001","32.393","0.0004","10.0749","0.0002","90","","90","","90","","5709.31","0.14","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","MIL-31","","","- C20 H60 F3 Ga9 N4 O41 P9 -","- C20 F4 Ga9 N4 O40 P9 -","- C80 F16 Ga36 N16 O160 P36 -","4","1","","Sassoye, Capucine; Loiseau, Thierry; Férey, Gérard; Taulelle, Francis","A new open-framework fluorinated gallium phosphate with large 18-ring channels (MIL-31)","Chemical Communications","2000","","11","943","","10.1039/b001948h","","","0.71073","MoKα","","0.1292","0.0625","","0.1307","0.1068","","","","1.039","1.09","1.09","","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7111207","7.426","0.001","14.258","0.001","13.747","0.001","90","","90","","90","","1455.5","0.2","566.2","","566.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H17 N5 O6 -","- C11 H15 N5 O6 -","- C44 H60 N20 O24 -","4","1","","Routaboul, Christel; Dumas, Lionel; Gautier-Luneau, Isabelle; Vergne, Jacques; Maurel, Marie-Christine; Décout, Jean-Luc","New stereoselective reaction of methylglyoxal with 2-aminopyridine and adenine derivatives: Formation of imino acid-nucleic base derivatives in water under mild conditions","Chemical Communications","2002","","10","1114","","10.1039/b201901a","","","0.7107","MoKα","","0.039","0.039","","0.0362","","0.0362","","","1.557","","","1.557","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7111217","17.9597","0.0005","19.2091","0.0006","28.7358","0.001","90","","90","","90","","9913.6","0.5","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","02sw033","","","- C54 H58 Cl4 N5 P Ru -","- C54 H58 Cl4 N5 P Ru -","- C432 H464 Cl32 N40 P8 Ru8 -","8","2","","Danopoulos, Andreas A.; Winston, Scott; Motherwell, William B.","Stable N-functionalised ‘pincer’ bis carbene ligands and their ruthenium complexes; synthesis and catalytic studies","Chemical Communications","2002","","13","1376","","10.1039/b202814j","","","0.71073","MoKα","","0.0709","0.0455","","","0.0878","0.0986","","","","","","1.034","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111301","26.8513","0.0019","19.7761","0.0019","22.619","0.002","90","","90","","90","","12011","1.8","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","mixed aggregate of 10 molecules sodium tert.butanolate with 1 molecule sodium hydroxide","","","- C40 H91 Na11 O11 -","- C40 H91 Na11 O11 -","- C320 H728 Na88 O88 -","8","2","","Geier, Jens; Gr�tzmacher, Hansj�rg","Synthesis and structure of [Na11(OtBu)10(OH)]: 1H NMR shift of a hydroxide ion encapsulated in a 21-vertex alcoholate cageElectronic supplementary information (ESI) available:1H-MAS solid state spectrum of 1, plot of tBu proton intensities versus the square of the field gradient, and powder diffractograms of 1. See http://www.rsc.org/suppdata/cc/b3/b308105b/","Chemical Communications","2003","","23","2942","","10.1039/b308105b","","","0.71073","MoKα","","0.0662","0.0482","","","0.1159","0.1245","","","","","","1.027","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111598","18.2549","0.001","10.8473","0.0006","18.5964","0.001","90","","90","","90","","3682.4","0.3","90","2","90","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H55 Co N Si2 -","- C36 H55 Co N Si2 -","- C144 H220 Co4 N4 Si8 -","4","1","","Ni, Chengbao; Stich, Troy A.; Long, Gary J.; Power, Philip P.","Unusual magnetic properties of a two-coordinate heteroleptic linear cobalt(ii) complex","Chemical Communications","2010","46","25","4466","4468","10.1039/c001483d","","","0.71073","MoKα","","0.0444","0.0308","","","0.0747","0.083","","","","","","1.079","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111761","11.4277","0.0003","11.7915","0.0003","22.841","0.0005","90","","90","","90","","3077.82","0.13","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H37 F2 N O3 S2 -","- C32 H37 F2 N O3 S2 -","- C128 H148 F8 N4 O12 S8 -","4","1","","Craig, Donald; Gore, Sophie J.; Lansdell, Mark I.; Lewis, Simon E.; Mayweg, Alexander V. W.; White, Andrew J. P.","Transannular, decarboxylative Claisen rearrangement reactions for the synthesis of sulfur-substituted vinylcyclopropanes","Chemical Communications","2010","46","27","4991","4993","10.1039/c0cc00976h","","","0.71073","MoKα","","0.079","0.0472","","","0.0826","0.0918","","","","","","0.928","","","","has coordinates,has disorder","180231","2020-10-21","18:00:00",""
"7111881","7.4355","0.0004","20.5015","0.0012","16.7167","0.0009","90","","90","","90","","2548.3","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H11 Br N2 O -","- C16 H9.5 Br N2 O -","- C128 H76 Br8 N16 O8 -","8","2","","Zhoulong Fan; Kui Wu; Li Xing; Qizheng Yao; Ao Zhang","Palladium-catalyzed double C-H activation: one-pot synthesis of benzo[c]pyrazolo[1,2-a]cinnolin-1-ones from 5-pyrazolones and aryl iodides","Chem.Commun.","2014","50","","1682","","10.1039/c3cc47989g","","","0.71073","MoKα","","0.1442","0.0548","","","0.114","0.1417","","","","","","1.009","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7112072","16.768","0.005","8.477","0.002","14.704","0.004","90","","90","","90","","2090.1","1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H34 Cl N3 O5 Pd -","- C19 H34 Cl N3 O5 Pd -","- C76 H136 Cl4 N12 O20 Pd4 -","4","1","","Fengrui Qu; Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity","Chem.Commun.","2014","50","","3036","","10.1039/c3cc49387c","","","0.71073","MoKα","","0.0247","0.0215","","","0.0482","0.0498","","","","","","1.036","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112073","16.11","0.002","8.7912","0.0014","15.537","0.002","90","","90","","90","","2200.4","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H33 I2 N3 Pd -","- C19 H33 I2 N3 Pd -","- C76 H132 I8 N12 Pd4 -","4","1","","Fengrui Qu; Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity","Chem.Commun.","2014","50","","3036","","10.1039/c3cc49387c","","","0.71073","MoKα","","0.0218","0.0196","","","0.0385","0.0391","","","","","","1.062","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112074","16.5967","0.0007","8.378","0.0004","15.033","0.0006","90","","90","","90","","2090.3","0.16","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl2 N3 O4 Pd -","- C19 H33 Cl2 N3 O4 Pd -","- C76 H132 Cl8 N12 O16 Pd4 -","4","1","","Fengrui Qu; Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity","Chem.Commun.","2014","50","","3036","","10.1039/c3cc49387c","","","0.71073","MoKα","","0.0307","0.0264","","","0.0597","0.0613","","","","","","1.043","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112183","9.917","0.006","7.45","0.004","28.101","0.016","90","","90","","90","","2076","2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H14 Cu4 O12 P2 -","- C16 H14 Cu4 O12 P2 -","- C64 H56 Cu16 O48 P8 -","4","1","","Xiao-Jing Yang; Song-Song Bao; Min Ren; Norihisa Hoshino; Tomoyuki Akutagawa; Li-Min Zheng","Polar metal phosphonate containing unusual mu/4-OH bridged double chains showing canted antiferromagnetism with large coercivity","Chem.Commun.","2014","50","","3979","","10.1039/C3CC45976d","","","0.71073","MoKα","","0.0552","0.0437","","","0.0993","0.1038","","","","","","0.952","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112535","17.419","0.007","10.587","0.005","9.567","0.004","90","","90","","90","","1764.3","1.3","183","","183","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","","Miyake, Yoshihiro; Ashida, Yuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Visible-light-mediated addition of α-aminoalkyl radicals generated from α-silylamines to α,β-unsaturated carbonyl compounds.","Chemical communications (Cambridge, England)","2012","48","55","6966","6968","10.1039/c2cc32745g","","","0.71075","MoKα","","","0.1192","","","","0.106","","","","","","1","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112564","10.139","0.002","8.597","0.002","20.157","0.005","90","","90","","90","","1757","0.7","90","0.5","90","0.5","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H","Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines.","MedChemComm","2012","3","2","179","194","10.1039/C1MD00232E","","","1.54178","CuKα","","0.034","0.032","","","0.083","0.084","","","","","","1.054","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112907","7.0324","0.0011","10.53","0.003","8.7909","0.0011","90","","90","","90","","651","0.2","293","2","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C12 H24 N24 O24 -","4","1","","Millar, David I. A.; Oswald, Iain D. H.; Barry, Christopher; Francis, Duncan J.; Marshall, William G.; Pulham, Colin R.; Cumming, Adam S.","Pressure-cooking of explosives‒the crystal structure of epsilon-RDX as determined by X-ray and neutron diffraction.","Chemical communications (Cambridge, England)","2010","46","31","5662","5664","10.1039/c0cc00368a","","","0.71073","MoKα","","0.0866","0.0573","","0.141","0.1168","0.141","","","","","","0.9482","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112947","26.938","0.003","18.8282","0.0018","10.2745","0.001","90","","90","","90","","5211.2","0.9","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C59 H60 N2 O P2 -","- C59 H60 N2 O P2 -","- C236 H240 N8 O4 P8 -","4","1","","Wheaton, Craig A.; Hayes, Paul G.","Cationic zinc complexes: a new class of catalyst for living lactide polymerization at ambient temperature.","Chemical communications (Cambridge, England)","2010","46","44","8404","8406","10.1039/c0cc03463k","","","0.71073","MoKα","","0.0602","0.0517","","","0.1195","0.1238","","","","","","1.106","","","","has coordinates,has disorder","180243","2020-10-21","18:00:00",""
"7113330","22.516","0.0006","5.6843","0.0002","21.2628","0.0006","90","","90","","90","","2721.38","0.14","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","6-hydroxy-6,7a-dimethyl-5-phenylhexahydrocyclopenta[b]pyran-7(2H)-one","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","2","","Yonghoon Kwon; Owen Scadeng; Robert McDonald; F. G. West","?-Hydroxycyclopentanones via one-pot oxidation of the trimethylaluminum-mediated Nazarov reaction with triplet oxygen","Chem.Commun.","2014","50","","5558","","10.1039/C4CC02330G","","","1.54178","CuKα","","0.048","0.0459","","","0.1139","0.1159","","","","","","1.033","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7114046","17.3944","0.0017","14.6134","0.0014","11.9982","0.0012","90","","90","","90","","3049.8","0.5","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","02080","","","- C25 H48 Cl2 N4 O3 Zn2 -","- C25 H48 Cl2 N4 O3 Zn2 -","- C100 H192 Cl8 N16 O12 Zn8 -","4","1","","Williams, Charlotte K.; Brooks, Neil R.; Hillmyer, Marc A.; Tolman, William B.","Metalloenzyme inspired dizinc catalyst for the polymerization of lactide","Chemical Communications","2002","","18","2132","","10.1039/b206437e","","","0.71073","MoKα","","0.0552","0.0437","","","0.1212","0.1269","","","","","","1.049","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114131","12.317","0.003","24.171","0.005","11.808","0.002","90","","90","","90","","3515.4","1.3","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C12 H24 B F4 O2 Rh S2 -","- C12 H24 B F4 O2 Rh S2 -","- C96 H192 B8 F32 O16 Rh8 S16 -","8","2","","Dorta, Reto; Rozenberg, Haim; Milstein, David","The first fully characterized neutral and cationic rhodium(i)-complexes containing DMSO as the only dative ligand; S-, O- and bridging S,O-bidentate binding modes","Chemical Communications","2002","","7","710","","10.1039/b200321j","","","0.71073","MoKα","","0.0371","0.0322","","","0.0763","0.0791","","","","","","1.035","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7114162","23.748","0.003","12.198","0.002","14.594","0.001","90","","90","","90","","4227.6","0.9","200.2","","","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C17 H12 Cu F6 N4 P S3 -","- C17 H12 Cu F6 N4 P S3 -","- C136 H96 Cu8 F48 N32 P8 S24 -","8","2","","Tanaka, Rika; Yano, Toshihiro; Nishioka, Takanori; Nakajo, Kunio; Breedlove, Brian K.; Kimura, Kentaro; Kinoshita, Isamu; Isobe, Kiyoshi","Thia-calix[n]pyridines, synthesis and coordination to Cu(i,ii) ions with both N and S donor atomsElectronic supplementary information (ESI) available: emission spectra of compound 1. See http://www.rsc.org/suppdata/cc/b2/b203540e/","Chemical Communications","2002","","16","1686","","10.1039/b203540e","","","0.7107","MoKα","","","0.058","","","","0.0632","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114262","14.16","0.0002","14.5302","0.0002","16.3056","0.0002","90","","90","","90","","3354.84","0.08","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","[(bis(trimethylsilyl)amido)(tetrahydrofuran) (eta6,eta1-tetraphenylborato)ytterbium(II)]","","- C34 H46 B N O Si2 Yb -","- C34 H46 B N O Si2 Yb -","- C136 H184 B4 N4 O4 Si8 Yb4 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.","Linkage isomerism and C???H activation in an ytterbium(ii) tetraphenylborate","Chemical Communications","2002","","21","2522","","10.1039/b208149k","","","0.71073","MoKα","","0.0546","0.0295","","","0.0577","0.0634","","","","","","0.959","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114978","11.7854","0.0009","6.23","0.0004","10.0333","0.0004","90","","90","","90","","736.68","0.08","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-chloro-2,3,5,6-fluorobenzonitrile","","","- C7 Cl F4 N -","- C7 Cl F4 N -","- C28 Cl4 F16 N4 -","4","1","","Bond, Andrew D.; Griffiths, Joanna; Rawson, Jeremy M.; Hulliger, Jürg","Inducing structural polarity using fluorinated organics: X-ray crystal structures of p-XC6F4CN (X = Cl, Br, I)Electronic supplementary data (ESI) available: the crystal structure of p-BrC6F4CN in .pdb format. See http://www.rsc.org/suppdata/cc/b1/b107665p/","Chemical Communications","2001","","23","2488","","10.1039/b107665p","","","0.71073","MoKα","","0.041","0.0349","","0.098","0.0936","","","","1.059","1.066","1.066","","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7115138","19.1672","0.0008","14.8037","0.0006","27.0061","0.0008","90","","90","","90","","7662.9","0.5","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C31 H24 O20 Ru6 -","- C31 H24 O20 Ru6 -","- C248 H192 O160 Ru48 -","8","2","","Johnson, Brian F. G.; Judkins, Catherine M. G.; Matters, Justin M.; Shephard, Douglas S.; Parsons, Simon","New linked and threaded cluster compounds","Chemical Communications","2000","","16","1549","","10.1039/b003291n","","","0.71069","MoKα","","0.0928","0.0682","","0.1796","0.1537","","","","1.019","1.065","1.065","","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115175","15.975","0.002","9.298","0.001","12.726","0.002","90","","90","","90","","1890.3","0.4","291","2","291","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C6 H20 Cl2 Cu La N O17 -","- C6 H12 Cl2 Cu La N O17 -","- C24 H48 Cl8 Cu4 La4 N4 O68 -","4","1","","Liu, Qin-De; Li, Jun-Ran; Gao, Song; Ma, Bao-Qing; Zhou, Qing-Zhong; Liu, Hui; Yu, Kai-Bei","Anion controlled 2D assembly of a La‒Cu cation array and its unusual magnetic properties","Chemical Communications","2000","","17","1685","","10.1039/b003293j","","","0.71073","MoKα","","0.031","0.0273","","","0.0698","0.0711","","","","","","1.04","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115446","20.732","0.003","19.775","0.003","13.7739","0.0019","90","","90","","90","","5647","1.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H26 B F4 P -","- C34 H26 B F4 P -","- C272 H208 B8 F32 P8 -","8","2","","Kyle D. Reichl; Alexander T. Radosevich","A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts","Chem.Commun.","2014","50","","9302","","10.1039/C4cc03415E","","","0.71073","MoKα","","0.076","0.054","","","0.1252","0.1366","","","","","","1.019","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115466","14.4397","0.0011","10.6268","0.0009","7.2172","0.0005","90","","90","","90","","1107.46","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","","Amit Kumar; Abhimanyu Yadav; Ajay Verma; Sadhan Jana; Moh. Sattar; Shailesh Kumar; Ch. Durga Prasad; Sangit Kumar","Chemoselective arylation of phenols with bromo-nitroarenes: synthesis of nitro-biaryl-ols and their conversion into benzofurans and carbazoles","Chem.Commun.","2014","50","","9481","","10.1039/C4cc03090G","","","0.71073","MoKα","","0.0554","0.0414","","","0.0904","0.1087","","","","","","1.15","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115649","27.6897","0.0002","11.5655","0.0005","42.052","0.003","90","","90","","90","","13467","1.1","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C145 H183 Fe4 N17 O3 -","- C145 H183 Fe4 N17 O3 -","- C580 H732 Fe16 N68 O12 -","4","1","","Richard A. Lewis; K. Cory MacLeod; Brandon Q. Mercado; Patrick L. Holland","Geometric and redox flexibility of pyridine as a redox-active ligand that can reversibly accept one or two electrons","Chem.Commun.","2014","50","","11114","","10.1039/C4cc05495D","","","1.54187","CuKα","","0.125","0.0756","","","0.1701","0.2021","","","","","","0.947","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115730","13.1081","0.0009","9.6334","0.0003","8.0059","0.0003","90","","90","","90","","1010.95","0.09","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao","Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature","Chem.Commun.","2014","50","","12135","","10.1039/C4cc05485G","","","1.54187","CuKα","","0.0386","0.0303","","","0.0708","0.0788","","","","","","1.035","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115784","23.5959","0.0003","11.5341","0.0003","12.3552","0.0005","90","","90","","90","","3362.56","0.17","163","2","163","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H19 B F2 N2 Si -","- C16 H19 B F2 N2 Si -","- C128 H152 B8 F16 N16 Si8 -","8","2","","Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung","Two-color emissive probes for click reactions","Chem.Commun.","2014","50","","12694","","10.1039/C4cc05288A","","","0.71073","MoKα","","0.0474","0.037","","","0.0887","0.0945","","","","","","1.04","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7116045","17.495","0.004","10.321","0.002","13.577","0.003","90","","90","","90","","2451.5","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- Al6 H10 Na2 O30 P6 -","- Al6 Na2 O30 P6 -","- Al24 Na8 O120 P24 -","4","1","","Yanyan Wang; Yanjun Sun; Ying Mu; Chuanqi Zhang; Jiyang Li; Jihong Yu","Organotemplate-free hydrothermal synthesis of an aluminophosphate molecular sieve with AEN zeotype topology and properties of its derivatives","Chem.Commun.","2014","50","","15400","","10.1039/C4cc06319H","","","0.71073","MoKα","","0.0343","0.0295","","","0.0798","0.082","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116257","15.7155","0.0008","20.8328","0.001","21.8429","0.0011","90","","90","","90","","7151.3","0.6","185","2","185","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H50 N2 Ni O4 -","- C37 H50 N2 Ni O4 -","- C296 H400 N16 Ni8 O32 -","8","2","","Shi, Xincui; Sui, Aiguo; Wang, Yongxia; Li, Yuesheng; Geng, Yanhou; Wang, Fosong","Controlled synthesis of high molecular weight poly(3-hexylthiophene)s via Kumada catalyst transfer polycondensation with Ni(IPr)(acac)2 as the catalyst.","Chemical communications (Cambridge, England)","2015","51","11","2138","2140","10.1039/c4cc08012b","","","0.71073","MoKα","","0.0858","0.0671","","","0.1741","0.1924","","","","","","1.061","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116333","15.024","0.003","21.464","0.004","13.309","0.003","90","","90","","90","","4291.8","1.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C208 H176 N16 O48 -","16","4","","Raymond C. F. Jones; Alexander Chatterley; Romain Marty; W. Martin Owton; Mark R. J. Elsegood","Isoxazole to oxazole: a mild and unexpected transformation","Chem.Commun.","2015","51","","1112","","10.1039/C4cc07999J","","","0.71073","MoKα","","0.1218","0.0564","","","0.1288","0.1684","","","","","","1.008","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7116562","15.0354","0.0013","6.2653","0.0005","36.895","0.003","90","","90","","90","","3475.6","0.5","90","","90","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H26 O5 Si -","- C15 H26 O5 Si -","- C120 H208 O40 Si8 -","8","2","","Abe, Hideki; Itaya, Satoko; Sasaki, Kei; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of the proposed structure of a polyketide from Phialomyces macrosporus","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3586","3589","10.1039/c5cc00129c","","","0.71073","MoKα","","0.0327","0.031","","","0.0855","0.0866","","","","","","1.058","","","","has coordinates","210895","2020-10-21","18:00:00",""
"7116910","13.273","0.003","18.584","0.005","7.3811","0.0018","90","","90","","90","","1820.7","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Liangwei Zhang; Xiangdong Li; Yuanhong Liu; Dayong Zhang","Palladium-catalyzed highly efficient synthesis of functionalized indolizines via cross-coupling/cycloisomerization cascade","Chem.Commun.","2015","51","","6633","","10.1039/C5cc01151E","","","0.71073","MoKα","","0.0789","0.0649","","","0.1447","0.1532","","","","","","1.092","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116980","13.7485","0.0007","5.436","0.0003","25.063","0.0012","90","","90","","90","","1873.13","0.17","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","phenyl(2-thioxooxazolidin-3-yl)methanone","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","","Perez, Christian; Monserrat, Jean-Philippe; Chen, Yao; Cohen, Seth M.","Exploring hydrogen peroxide responsive thiazolidinone-based prodrugs","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7116","7119","10.1039/c4cc09921d","","","0.71073","MoKα","","0.0498","0.0463","","","0.1121","0.1152","","","","","","1.073","","","","has coordinates","210983","2020-10-21","18:00:00",""
"7117126","14.7778","0.0003","14.8566","0.0003","31.0576","0.0007","90","","90","","90","","6818.6","0.2","10","5","10","5","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H72 Mo2 N32 O11 Zn4 -","- C40 H72 Mo2 N32 O11 Zn4 -","- C160 H288 Mo8 N128 O44 Zn16 -","4","1","","N. Bridonneau; J. Long; J.-L. Cantin; J. von Bardeleben; S. Pillet; E.-E. Bendeif; D. Aravena; E. Ruiz; V. Marvaud","First evidence of light-induced spin transition in molybdenum(IV)","Chem.Commun.","2015","51","","8229","","10.1039/C5cc01714A","","","0.71073","MoKα","","0.0415","0.0381","","","0.0917","0.0947","","","","","","1.045","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117375","15.9351","0.0015","14.7211","0.0014","21.273","0.002","90","","90","","90","","4990.3","0.8","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2 in manuscript","","","- C21 H44 O2 P2 Pd -","- C21 H44 O2 P2 Pd -","- C168 H352 O16 P16 Pd8 -","8","2","","S. Chantal E. Stieber; Nuria Huguet; Takeharu Kageyama; Ivana Jevtovikj; Piyal Ariyananda; Alvaro Gordillo; Stephan A. Schunk; Frank Rominger; Peter Hofmann; Michael Limbach","Acrylate formation from CO2 and ethylene: catalysis with palladium and mechanistic insight","Chem.Commun.","2015","51","","10907","","10.1039/C5cc01932J","","","0.71073","MoKα","","0.0874","0.0502","","","0.0788","0.0904","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117510","21.214","0.003","8.2654","0.0011","27.017","0.004","90","","90","","90","","4737.2","1.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H27 N3 O3 -","- C30 H27 N3 O3 -","- C240 H216 N24 O24 -","8","2","","R. N. Prasad Tulichala; K. C. Kumara Swamy","Palladium-catalysed decarboxylative nitrile insertion via C-H activation or self-coupling of indole-2-carboxylic acids: a new route to indolocarbolines and triindoles","Chem.Commun.","2015","51","","12008","","10.1039/C5cc03160e","","","0.71073","MoKα","","0.0646","0.0534","","","0.1193","0.1249","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117716","11.5083","0.0008","13.3657","0.0009","9.5834","0.0006","90","","90","","90","","1474.08","0.17","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Isai Ramakrishna; Gowri Sankar Grandhi; Harekrishna Sahoo; Mahiuddin Baidya","The Mukaiyama aldol reaction of in situ generated nitrosocarbonyl compounds: selective C-N bond formation and N-O bond cleavage in one-pot for alpha-amination of ketones","Chem.Commun.","2015","51","","13976","","10.1039/C5cc05459A","","","0.71073","MoKα","","0.0747","0.0448","","","0.0976","0.1135","","","","","","1.013","","","","has coordinates","153828","2020-10-21","18:00:00",""
"7117904","16.934","","5.514","","9.46","","90","","90","","90","","883.319","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- F4 S W -","- F4 S W -","- F32 S8 W8 -","8","2","","Holloway, J.H.; Kaucic, V.; Russell, D.R.","Synthesis, Chemistry, and Crystal Structures of High-valent Transition-metal Chalcogenide Fluorides and Their Derivatives","Journal of the Chemical Society. Chemical Communications (1972-)","1983","1983","","1079","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7117905","10.893","","8.278","","27.663","","90","","90","","90","","2494.44","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","F4 S Re","","- F4 Re S -","- F4 Re S -","- F96 Re24 S24 -","24","6","","Holloway, J.H.; Kaucic, V.; Russell, D.R.","Synthesis, Chemistry, and Crystal Structures of High-valent Transition-metal Chalcogenide Fluorides and Their Derivatives","Journal of the Chemical Society. Chemical Communications (1972-)","1983","1983","","1079","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118096","25.926","0.009","10.268","0.004","9.738","0.003","90","","90","","90","","2592.3","1.6","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","5","","","- C15.5 H9 Cl S2 -","- C15.5 H9 Cl S2 -","- C124 H72 Cl8 S16 -","8","2","","Shohei Kato; Yuma Serizawa; Daisuke Sakamaki; Shu Seki; Yoshihiro Miyake; Hiroshi Shinokubo","Diversity-oriented synthesis of tetrathia[8]circulenes by sequential C-H borylation and annulation","Chem.Commun.","2015","51","","16944","","10.1039/C5cc06921A","","","0.71075","MoKα","","0.0715","0.0669","","","0.1793","0.1861","","","","","","1.049","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118369","34.732","0.004","13.1317","0.0014","8.2791","0.0009","90","","90","","90","","3776","0.7","90","","90","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ethyl 2-((2S*,3'R*,4'S*)-2',4-dioxo-[2,3'-bichroman]-4'-yl)acetate","","- C22 H20 O6 -","- C22 H20 O6 -","- C176 H160 O48 -","8","2","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0394","0.033","","","0.0722","0.0754","","","","","","1.003","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118371","25.583","0.003","6.8787","0.0008","17.4038","0.0019","90","","90","","90","","3062.7","0.6","90","","90","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ethyl 2-((3S*,4S*)-2-oxo-3-((R*)-3-oxocyclopentyl)chroman-4-yl)acetate","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","2","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0371","0.0329","","","0.0773","0.08","","","","","","1.043","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118659","13.4817","0.0009","41.726","0.002","31.034","0.003","90","","90","","90","","17458","2","90","2","90","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-mesityl-N,N-bis(alpha-bromodipyrrinyl)amine Cu(II)","","- C49 H51 Br2 Cu N5 -","- C49 H51 Br2 Cu N5 -","- C784 H816 Br32 Cu16 N80 -","16","4","","Omori, Hiroto; Hiroto, Satoru; Shinokubo, Hiroshi","The synthesis of Ni(II) and Al(III) 10-azacorroles through coordination-induced cyclisation involving 1,2-migration.","Chemical communications (Cambridge, England)","2016","52","17","3540","3543","10.1039/c5cc10247b","","","0.71073","","","0.1351","0.0798","","","0.1796","0.208","","","","","","1.023","","","","has coordinates","177708","2020-10-21","18:00:00",""
"7119143","21.401","0.002","4.7059","0.0005","10.6453","0.001","90","","90","","90","","1072.1","0.18","179.99","0.1","179.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","4i","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Erchang Shang; Junzhi Zhang; Jinyi Bai; Zhan Wang; Xiang Li; Bing Zhu; Xiaoguang Lei","Syntheses of [1,2,4]triazolo[1,5-a]benzazoles enabled by the transition-metal-free oxidative N-N bond formation","Chem.Commun.","2016","52","","7028","","","","","0.71073","MoKα","","0.0505","0.0424","","","0.1037","0.1112","","","","","","1.126","","","","has coordinates","185779","2020-10-21","18:00:00",""
"7119242","24.8643","0.0005","10.74","0.0002","19.29","0.0004","90","","90","","90","","5151.25","0.18","200","","200","","","","","","","","Research School of Chemistry","7","P c a 21","P 2c -2ac","29","","","","- C48 H55 B2 N12 O4 P W2 -","- C48 H55 B2 N12 O4 P W2 -","- C192 H220 B8 N48 O16 P4 W8 -","4","1","","Colebatch, Annie L.; Han, Yong-Shen; Hill, Anthony F.; Sharma, Manab; Shang, Rong; Ward, Jas S.","Rearrangement of bis(alkylidynyl)phosphines to phospha-acyls.","Chemical communications (Cambridge, England)","2017","53","11","1832","1835","10.1039/c6cc09764b","","","0.71073","MoKα","","0.0678","0.0427","","0.0894","0.0735","0.0894","","","","","","0.956","","","","has coordinates","191491","2020-10-21","18:00:00",""
"7119287","12.406","0.009","5.786","0.004","34.77","0.03","90","","90","","90","","2496","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H15 N5 O -","- C12 H15 N5 O -","- C96 H120 N40 O8 -","8","2","","Wu, Zhongkai; Xu, Pan; Zhou, Nengneng; Duan, Yingqian; Zhang, Muliang; Zhu, Chengjian","[3+2] Cycloaddition of azide with aldehyde hydrazone through an aminyl radical-polar crossover strategy.","Chemical communications (Cambridge, England)","2017","53","6","1045","1047","10.1039/c6cc08779e","","","0.71073","MoKα","","0.1124","0.0676","","","0.1544","0.1766","","","","","","1.026","","","","has coordinates","191476","2020-10-21","18:00:00",""
"7119322","15.601","0.002","13.4615","0.0018","7.0024","0.001","90","","90","","90","","1470.6","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","BS-3-93B","BS-3-93B","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","1","","Song, Bo; Yu, Chang-Bin; Ji, Yue; Chen, Mu-Wang; Zhou, Yong-Gui","Synthesis of chiral sultams via palladium-catalyzed intramolecular asymmetric reductive amination.","Chemical communications (Cambridge, England)","2017","53","10","1704","1707","10.1039/c6cc09493g","","","0.71073","MoKα","","0.0576","0.045","","","0.0973","0.1032","","","","","","1.044","","","","has coordinates","191462","2020-10-21","18:00:00",""
"7119328","9.5444","0.0005","10.0871","0.0006","15.2076","0.0011","90","","90","","90","","1464.12","0.16","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H13 Br F N O -","- C17 H13 Br F N O -","- C68 H52 Br4 F4 N4 O4 -","4","1","","Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien","Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.","Chemical communications (Cambridge, England)","2017","53","4","736","739","10.1039/c6cc08397h","","","0.71073","MoKα","","0.0636","0.0351","","","0.0657","0.075","","","","","","1.021","","","","has coordinates","189924","2020-10-21","18:00:00",""
"7119986","18.6161","0.001","11.3161","0.0007","21.2379","0.0014","90","","90","","90","","4474","0.5","85","","85","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C43 H56 F6 N5 O4 Rh Sb -","- C43 H56 F6 N5 O4 Rh Sb -","- C172 H224 F24 N20 O16 Rh4 Sb4 -","4","1","","Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu","Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.","Chemical communications (Cambridge, England)","2017","53","35","4849","4852","10.1039/c7cc01840a","","","0.71075","MoKα","","","0.0269","","","","0.0759","","","","","","0.866","","","","has coordinates","196300","2020-10-21","18:00:00",""
"7120081","28.1056","0.001","11.9971","0.0005","13.0595","0.0005","90","","90","","90","","4403.5","0.3","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H22 Ca F8 O8 P2 -","- C12 H22 Ca F8 O8 P2 -","- C96 H176 Ca8 F64 O64 P16 -","8","2","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0684","0.0593","","","0.1521","0.1589","","","","","","1.043","","","","has coordinates","196214","2020-10-21","18:00:00",""
"7120122","16.9669","0.0005","10.4622","0.0003","22.0079","0.0007","90","","90","","90","","3906.6","0.2","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","[(Carbonyl)(ethinyldiphenylphosphine)(iodido){hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]","","- C38 H51 B I N6 O P W -","- C38 H51 B I N6 O P W -","- C152 H204 B4 I4 N24 O4 P4 W4 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0524","0.037","","","0.065","0.0677","","","","","","0.976","","","","has coordinates","196707","2020-10-21","18:00:00",""
"7120127","16.4962","0.001","10.3883","0.0007","22.0051","0.0016","90","","90","","90","","3771","0.4","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","[(Carbonyl)(cyanido)(ethinyldiphenylphosphine){hydridotris(3,4,5-trimethylpyrazolyl)borate}tungsten(II)]","","- C50.5 H78.6 B N7 O P W -","- C34 H39 B N7 O P W -","- C136 H156 B4 N28 O4 P4 W4 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0787","0.0491","","","0.0979","0.1067","","","","","","0.941","","","","has coordinates","196707","2020-10-21","18:00:00",""
"7120180","16.2998","0.001","10.3533","0.0006","7.8903","0.0005","90","","90","","90","","1331.54","0.14","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 F3 O3 -","- C14 H13 F3 O3 -","- C56 H52 F12 O12 -","4","1","","Liu, Zhicheng; Bai, Yihui; Zhang, Jian; Yu, Yongqi; Tan, Ze; Zhu, Gangguo","Copper-catalyzed acyltrifluoromethylation of alkenes: rapid access to trifluoroethyl indanones and related compounds","Chem. Commun.","2017","","","","","10.1039/C7CC02537H","","","0.71073","MoKα","","0.0781","0.0475","","","0.1244","0.1512","","","","","","0.922","","","","has coordinates","196916","2020-10-21","18:00:00",""
"7120331","18.2533","0.0011","6.3201","0.0003","20.6576","0.0011","90","","90","","90","","2383.1","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(5-phenyl-1H-pyrazol-3-yl)phenol","","- C2.5 H2 N0.33 O0.17 -","- C2.5 H2 N0.333333 O0.166667 -","- C120 H96 N16 O8 -","48","12","","Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro","ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)","Chem. Commun.","2017","","","","","10.1039/C7CC03758A","","","0.71073","MoKα","","0.0653","0.0453","","","0.0997","0.1141","","","","","","1.023","","","","has coordinates","198101","2020-10-21","18:00:00",""
"7120515","19.592","0.008","9.749","0.003","11.697","0.004","90","","90","","90","","2234.2","1.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H8 B F15 -","- C23 H8 B F15 -","- C92 H32 B4 F60 -","4","1","","Tsao, Fu An; Sathaseevan, Anson; Zhu, Hui; Grimme, Stefan; Erker, Gerhard; Stephan, Douglas W.","Stoichiometric and catalytic isomerization of alkenylboranes using bulky Lewis bases","Chem. Commun.","2017","","","","","10.1039/C7CC04904H","","","0.71073","MoKα","","0.0869","0.0506","","","0.1134","0.1365","","","","","","1.03","","","","has coordinates","199503","2020-10-21","18:00:00",""
"7121231","18.903","0.004","5.5733","0.0011","36.08","0.007","90","","90","","90","","3801.1","1.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H17 F6 N O2 -","- C21 H17 F6 N O2 -","- C168 H136 F48 N8 O16 -","8","2","","Borisova, Kseniya K.; Nikitina, Eugeniya V.; Novikov, Roman A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kuznetsov, Maxim L.; Zaytsev, Vladimir P.; Varlamov, Alexey V.; Zubkov, Fedor I.","Diels-Alder reactions between hexafluoro-2-butyne and bis-furyl dienes: kinetic versus thermodynamic control.","Chemical communications (Cambridge, England)","2018","54","23","2850","2853","10.1039/c7cc09466c","","","0.9699","synchrotron","","0.1426","0.1099","","","0.2352","0.2601","","","","","","0.915","","","","has coordinates,has disorder","228451","2020-10-21","18:00:00",""
"7121285","17.5019","0.0005","8.4032","0.0003","12.4676","0.0004","90","","90","","90","","1833.63","0.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Cao, Bo; Wei, Yin; Shi, Min","An atmosphere and light tuned highly diastereoselective synthesis of cyclobuta/penta[b]indoles from aniline-tethered alkylidenecyclopropanes with alkynes.","Chemical communications (Cambridge, England)","2018","54","23","2870","2873","10.1039/c8cc00180d","","","1.54178","CuKα","","0.0485","0.0439","","","0.1117","0.1172","","","","","","1.052","","","","has coordinates,has disorder","228449","2020-10-21","18:00:00",""
"7121367","21.6603","0.0006","9.797","0.0003","13.9906","0.0003","90","","90","","90","","2968.89","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H36 N6 O2 P2 Se2 -","- C24 H36 N6 O2 P2 Se2 -","- C96 H144 N24 O8 P8 Se8 -","4","1","","Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe","Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.","Chemical communications (Cambridge, England)","2018","54","50","6800","6803","10.1039/c8cc01043a","","","0.71073","MoKα","","0.0599","0.0367","","","0.0619","0.0693","","","","","","1.015","","","","has coordinates","228314","2020-10-21","18:00:00",""
"7121516","15.77","0.002","12.1249","0.0019","13.749","0.002","90","","90","","90","","2628.9","0.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H48 Eu I2 N8 -","- C18 H42 Eu I2 N8 -","- C72 H168 Eu4 I8 N32 -","4","1","","Jenks, Tyler C.; Bailey, Matthew D.; Corbin, Brooke A.; Kuda-Wedagedara, Akhila N W; Martin, Philip D.; Schlegel, H. Bernhard; Rabuffetti, Federico A.; Allen, Matthew J.","Photophysical characterization of a highly luminescent divalent-europium-containing azacryptate.","Chemical communications (Cambridge, England)","2018","54","36","4545","4548","10.1039/c8cc01737a","","","0.71073","MoKα","","0.0162","0.0159","","","0.0414","0.0416","","","","","","0.928","","","","has coordinates","228486","2020-10-21","18:00:00",""
"7121637","48.377","0.002","7.5624","0.0003","21.0775","0.001","90","","90","","90","","7711.1","0.6","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C360 H400 O80 -","20","5","","Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.","Chemical communications (Cambridge, England)","2018","54","46","5851","5854","10.1039/c8cc02595a","","","1.54178","CuKα","","0.0604","0.0573","","","0.1393","0.1411","","","","","","1.019","","","","has coordinates","228292","2020-10-21","18:00:00",""
"7121866","14.558","0.005","11.247","0.004","14.392","0.005","90","","90","","90","","2356.5","1.4","203","","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H30 Cl F2 N O10 -","- C18 H30 Cl F2 N O10 -","- C72 H120 Cl4 F8 N4 O40 -","4","1","","Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi","Unusual high-temperature reversible phase transition containing dielectric and nonlinear optical switches in host-guest supramolecular crown ether clathrates.","Chemical communications (Cambridge, England)","2018","54","58","8076","8079","10.1039/c8cc03885f","","","0.71073","MoKα","","0.1599","0.1402","","","0.3273","0.3392","","","","","","1.081","","","","has coordinates,has disorder","228114","2020-10-21","18:00:00",""
"7121867","14.5486","0.0009","11.2914","0.0007","14.5674","0.0008","90","","90","","90","","2393","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H30 Cl F2 N O10 -","- C18 H29 Cl F2 N O10 -","- C72 H116 Cl4 F8 N4 O40 -","4","1","","Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi","Unusual high-temperature reversible phase transition containing dielectric and nonlinear optical switches in host-guest supramolecular crown ether clathrates.","Chemical communications (Cambridge, England)","2018","54","58","8076","8079","10.1039/c8cc03885f","","","0.71073","MoKα","","0.0738","0.0413","","","0.1015","0.1156","","","","","","1.015","","","","has coordinates,has disorder","228114","2020-10-21","18:00:00",""
"7121917","37.512","0.005","7.28","0.005","12.978","0.005","90","","90","","90","","3544","3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-chloro-N-(3-(piperidin-1-yl)propyl)quinoline-2-carboxamide","","- C18 H22 Cl N3 O -","- C18 H22 Cl N3 O -","- C144 H176 Cl8 N24 O8 -","8","2","","Castriconi, Federica; Paolino, Marco; Grisci, Giorgio; Francini, Cinzia Maria; Reale, Annalisa; Giuliani, Germano; Anzini, Maurizio; Giorgi, Gianluca; Mennuni, Laura; Sabatini, Chiara; Lanza, Marco; Caselli, Gianfranco; Cappelli, Andrea","Development of subnanomolar-affinity serotonin 5-HT<sub>4</sub> receptor ligands based on quinoline structures.","MedChemComm","2018","9","9","1466","1471","10.1039/c8md00233a","","","0.71073","MoKα","","0.263","0.0385","","","0.0396","0.056","","","","","","0.586","","","","has coordinates","230138","2020-10-21","18:00:00",""
"7121952","21.421","0.006","8.828","0.002","11.037","0.003","90","","90","","90","","2087.1","0.9","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","2","","Thomson, Connor J.; Zhang, Qingzhi; Al-Maharik, Nawaf; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,β-trifluorocyclopropane motif.","Chemical communications (Cambridge, England)","2018","54","60","8415","8418","10.1039/c8cc04964e","","","0.71075","MoKα","","0.0704","0.0398","","","0.0681","0.0774","","","","","","1.077","","","","has coordinates","228543","2020-10-21","18:00:00",""
"7121980","10.3768","0.0004","20.2598","0.0006","8.3401","0.0003","90","","90","","90","","1753.36","0.11","100","2","100.02","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H2 F10 O2 -","- C6 H2 F10 O2 -","- C48 H16 F80 O16 -","8","2","","Schaab, Jonas; Schwab, Miriam; Kratzert, Daniel; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Krossing, Ingo","The perfluorinated alcohols c-C<sub>6</sub>F<sub>11</sub>OH, c-C<sub>6</sub>F<sub>10</sub>-1,1-(OH)<sub>2</sub> and c-C<sub>6</sub>F<sub>10</sub>-1-(CF<sub>3</sub>)OH.","Chemical communications (Cambridge, England)","2018","54","67","9294","9297","10.1039/c8cc05148h","","x-ray","0.71073","MoKα","","0.0283","0.0258","","","0.0669","0.0685","","","","","","1.086","","","","has coordinates","228569","2020-10-21","18:00:00",""
"7122146","35.551","0.003","9.273","0.0006","29.6345","0.0018","90","","90","","90","","9769.4","1.2","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C75 H87 B6 Fe3 N21 O18 -","- C75 H87 B6 Fe3 N21 O18 -","- C300 H348 B24 Fe12 N84 O72 -","4","1","","Jansze, Suzanne M.; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Menin, Laure; Severin, Kay","Inflating face-capped Pd<sub>6</sub>L<sub>8</sub> coordination cages.","Chemical communications (Cambridge, England)","2018","54","68","9529","9532","10.1039/c8cc04870c","","x-ray","1.54184","CuKα","","0.1673","0.1235","","","0.317","0.3566","","","","","","1.053","","","","has coordinates","228511","2020-10-21","18:00:00",""
"7122442","23.9951","0.0005","14.2011","0.0003","6.8998","0.0001","90","","90","","90","","2351.15","0.08","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","2","","Panchal, Heena; Clarke, Christopher; Bell, Charles; Karad, Somnath Narayan; Lewis, William; Lam, Hon Wai","Nickel-catalyzed, ligand-free, diastereoselective synthesis of 3-methyleneindan-1-ols.","Chemical communications (Cambridge, England)","2018","54","87","12389","12392","10.1039/c8cc06388e","","x-ray","1.54184","CuKα","","0.0413","0.0361","","","0.0923","0.0957","","","","","","1.039","","","","has coordinates","228609","2020-10-21","18:00:00",""
"7122597","18.7088","0.0007","11.7664","0.0004","33.3168","0.0012","90","","90","","90","","7334.2","0.5","100","","100.02","","","","","","","","","6","P c a 21","P 2c -2ac","29","","IB-370","","- C30 H42 N3 P3 S4 Si2 -","- C30 H42 N3 P3 S4 Si2 -","- C240 H336 N24 P24 S32 Si16 -","8","2","","Begum, Imtiaz; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Expanding the chemistry of ring-fused 1,4-diphosphinines by stable mono anion formation.","Chemical communications (Cambridge, England)","2018","54","96","13555","13558","10.1039/c8cc08158a","","x-ray","1.54178","CuKα","","0.1247","0.1158","","","0.275","0.2804","","","","","","1.131","","","","has coordinates","228576","2020-10-21","18:00:00",""
"7122688","22.064","0.003","8.4746","0.0009","21.388","0.003","90","","90","","90","","3999.2","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C44.46 H55.93 Cl0.93 N5 -","- C44.463 H55.926 Cl0.926 N5 -","- C177.852 H223.704 Cl3.704 N20 -","4","1","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","0.7007","Synchrotron","","0.189","0.0607","","","0.114","0.1431","","","","","","0.812","","","","has coordinates","212357","2020-10-21","18:00:00",""
"7122885","22.656","0.003","5.7765","0.0007","17.163","0.002","90","","90","","90","","2246.2","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H9 N3 S -","- C14 H9 N3 S -","- C112 H72 N24 S8 -","8","2","","Kuang, Jinqiang; Xia, Yuanzhi; Yang, An; Zhang, Heng; Su, Chenliang; Lee, Daesung","Copper-catalyzed aminothiolation of terminal alkynes with tunable regioselectivity","Chemical Communications","2019","","","","","10.1039/C8CC09122F","","","0.71073","MoKα","","0.038","0.0366","","","0.0976","0.0988","","","","","","1.09","","","","has coordinates","213261","2020-10-21","18:00:00",""
"7122981","44.4974","0.0006","16.3918","0.0002","22.3586","0.0002","90","","90","","90","","16308.2","0.3","100","0.13","100","0.13","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C126 H66 Cl4 -","- C124 H64 -","- C992 H512 -","8","2","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","1.54184","CuKα","","0.1572","0.1493","","","0.3413","0.3472","","","","","","1.022","","","","has coordinates,has disorder","213627","2020-10-21","18:00:00",""
"7123650","15.6034","0.0001","6.9414","0.0001","19.1717","0.0002","90","","90","","90","","2076.48","0.04","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H21 N O4 S2 -","- C23 H21 N O4 S2 -","- C92 H84 N4 O16 S8 -","4","1","","Shi, Jingkai; Liang, Fei; He, Yixin; Zhang, Xinyuan; Lin, Zheshuai; Xu, De Gang; Hu, Zhanggui; Yao, Jianquan; Wu, Yicheng","Rational structural design of benzothiazolium-based crystal HDB-T with high nonlinearity and efficient terahertz-wave generation","Chemical Communications","2019","","","","","10.1039/C9CC03188J","","","1.54178","CuKα","","0.0366","0.0351","","","0.0964","0.097","","","","","","1.075","","","","has coordinates","215984","2020-10-21","18:00:00",""
"7123826","20.5131","0.0016","21.0277","0.0017","25.367","0.002","90","","90","","90","","10941.9","1.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C57 H56 Ag Au B11 P3 -","- C57 H56 Ag Au B11 P3 -","- C456 H448 Ag8 Au8 B88 P24 -","8","2","","Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik","Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes","Chemical Communications","2019","","","","","10.1039/C9CC05060D","","","0.71073","MoKα","","0.0388","0.0271","","","0.0525","0.0566","","","","","","1.023","","","","has coordinates","216938","2020-10-21","18:00:00",""
"7124202","15.6909","0.0002","8.2225","0.0001","30.5829","0.0003","90","","90","","90","","3945.76","0.08","99.98","0.13","99.98","0.13","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H20 I N O5 -","- C21 H20 I N O5 -","- C168 H160 I8 N8 O40 -","8","2","","Liu, Gengxin; Yu, Sifan; Hu, Wenhao; Qiu, Huang","A gold(I)-catalysed three-component reaction via trapping oxonium ylides with allenamides","Chemical Communications","2019","","","","","10.1039/C9CC06599G","","x-ray","1.54184","CuKα","","0.0455","0.0419","","","0.1049","0.1139","","","","","","1.089","","","","has coordinates","218506","2020-10-21","18:00:00",""
"7124518","20.03506","0.00017","13.30252","0.00012","15.03486","0.00014","90","","90","","90","","4007.04","0.06","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H50 Cu F6 N6 P -","- C43 H50 Cu F6 N6 P -","- C172 H200 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Khaskin, Eugene; Lapointe, Sébastien; Fayzullin, Robert R.; Stampoulis, Pavlos; Khusnutdinova, Julia R.","Highly sensitive mechano-controlled luminescence in polymer films modified by dynamic Cu<sup>I</sup>-based cross-linkers.","Chemical communications (Cambridge, England)","2020","56","1","50","53","10.1039/c9cc08354e","","x-ray","0.71073","MoKα","","0.0406","0.0392","","","0.1009","0.1018","","","","","","1.094","","","","has coordinates","247568","2020-10-21","18:00:00",""
"7124707","26.853","0.002","10.1988","0.001","27.005","0.003","90","","90","","90","","7395.8","1.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C47 H34 N6 O3 -","- C47 H34 N6 O3 -","- C376 H272 N48 O24 -","8","2","","Luciano, M.; Tardie, W.; Zeller, M.; Brückner, C","Supersizing pyrrole-modified porphyrins by reversal of the 'breaking and mending' strategy.","Chemical communications (Cambridge, England)","2016","52","66","10133","10136","10.1039/c6cc04028d","","","1.54178","CuKα","","0.2411","0.157","","","0.3456","0.4136","","","","","","1.046","","","","has coordinates","234148","2020-10-21","18:00:00",""
"7124711","12.3202","0.0014","4.6501","0.0005","32.022","0.004","90","","90","","90","","1834.5","0.4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Chlorphenesin","3-(p-Chlorophenoxy)propane-1,2-diol","","- C18 H22 Cl2 O6 -","- C18 H22 Cl2 O6 -","- C72 H88 Cl8 O24 -","4","1","","Kaufmann, Lena; Kennedy, Stuart R.; Jones, Christopher D.; Steed, Jonathan W.","Cavity-containing supramolecular gels as a crystallization tool for hydrophobic pharmaceuticals.","Chemical communications (Cambridge, England)","2016","52","66","10113","10116","10.1039/c6cc04037c","","","0.71073","MoKα","","0.1131","0.0591","","","0.0948","0.108","","","","","","1.03","","","","has coordinates","234152","2020-10-21","18:00:00",""
"7124765","21.335","0.012","15.168","0.008","37.948","0.019","90","","90","","90","","12280","11","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cis-DNP-Calix[4]pyrrole-TBAI","Cis-dinitrophenyl-cali[4]pyrrole, terabutylammonium iodide","","- C54 H72 I N9 O8 -","- C54 H72 I N9 O8 -","- C432 H576 I8 N72 O64 -","8","2","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71075","MoKα","","0.0916","0.0688","","","0.1835","0.209","","","","","","1.016","","","","has coordinates","234208","2020-10-21","18:00:00",""
"7124828","9.2775","0.0006","26.8593","0.0015","7.3125","0.0004","90","","90","","90","","1822.18","0.18","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","acenaphtho[3',2',1',8':9,10,11,12]chryseno[2,1-b]benzo[d]thiophene","","- C30 H14 S -","- C30 H14 S -","- C120 H56 S4 -","4","1","","Rajeshkumar, Venkatachalam; Stuparu, Mihaiela C.","A photochemical approach to aromatic extension of the corannulene nucleus.","Chemical communications (Cambridge, England)","2016","52","64","9957","9960","10.1039/c6cc04910a","","","0.71073","MoKα","","0.0952","0.0562","","","0.1024","0.1161","","","","","","1.024","","","","has coordinates","234263","2020-10-21","18:00:00",""
"7124931","20.325","0.004","11.622","0.002","8.52","0.0017","90","","90","","90","","2012.6","0.7","173","2","173","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C28 H26 -","- C28 H26 -","- C112 H104 -","4","1","","Wang, Guohua; Chen, Chao; Peng, Jing","Copper-catalyzed intramolecular aryl-bicyclization of diynes with diaryliodonium salts via vinyl cations.","Chemical communications (Cambridge, England)","2016","52","67","10277","10280","10.1039/c6cc05735g","","","0.71073","MoKα","","","0.0547","","","0.1565","0.1625","","","","","","1.03","","","","has coordinates","234360","2020-10-21","18:00:00",""
"7125230","18.03","0.0008","11.0785","0.0005","16.251","0.0007","90","","90","","90","","3246.1","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H28 N4 Ni -","- C46 H28 N4 Ni -","- C184 H112 N16 Ni4 -","4","1","","Baudron, Stéphane A; Hosseini, Mir Wais","Pre-organization of clefts for Ag-π interactions in Zn(ii) bisdipyrrin helicates for the construction of heterometallic networks.","Chemical communications (Cambridge, England)","2016","52","88","13000","13003","10.1039/c6cc07754d","","","0.71073","MoKα","","0.0689","0.0491","","","0.1174","0.1244","","","","","","1.001","","","","has coordinates","234617","2020-10-21","18:00:00",""
"7125264","10.2","0.003","12.903","0.003","14.787","0.003","90","","90","","90","","1946.1","0.8","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C76 H84 N4 O24 -","4","1","","Mallo, Neil; Brown, Patrick T.; Iranmanesh, Hasti; MacDonald, Thomas S. C.; Teusner, Matthew J.; Harper, Jason B.; Ball, Graham E.; Beves, Jonathon E.","Photochromic switching behaviour of donor-acceptor Stenhouse adducts in organic solvents.","Chemical communications (Cambridge, England)","2016","52","93","13576","13579","10.1039/c6cc08079k","","","0.71073","MoKα","","0.2424","0.0843","","","0.1451","0.2131","","","","","","0.921","","","","has coordinates","234643","2020-10-21","18:00:00",""
"7125324","17.601","0.003","17.365","0.002","17.358","0.002","90","","90","","90","","5305.3","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","5-azoniaspiro[4.4]nonane 10-phenyl-9-phosphatriptycene-10-borate selenide","","- C32 H33 B N P Se -","- C32 H33 B N P Se -","- C256 H264 B8 N8 P8 Se8 -","8","2","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","0.71073","MoKα","","0.0588","0.0453","","","0.1086","0.1133","","","","","","1.024","","","","has coordinates","236762","2020-10-21","18:00:00",""
"7125623","8.2688","0.001","6.1121","0.0007","13.2779","0.0017","90","","90","","90","","671.06","0.14","173","","173","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C3 H3 N5 O5 -","- C3 H3 N5 O5 -","- C12 H12 N20 O20 -","4","1","","Liu, Tianlin; Liao, Sicheng; Song, Siwei; Wang, Kangcai; Jin, Yunhe; Zhang, Qinghua","Combination of gem-dinitromethyl functionality and a 5-amino-1,3,4-oxadiazole framework for zwitterionic energetic materials.","Chemical communications (Cambridge, England)","2019","56","2","209","212","10.1039/c9cc08182h","","","0.71073","MoKα","","0.0309","0.0292","","","0.0765","0.0779","","","","","","1.105","","","","has coordinates","247595","2020-10-21","18:00:00",""
"7125731","15.6909","0.0002","8.2225","0.0001","30.5829","0.0003","90","","90","","90","","3945.76","0.08","99.98","0.13","99.98","0.13","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H20 I N O5 -","- C21 H20 I N O5 -","- C168 H160 I8 N8 O40 -","8","2","","Yu, Sifan; Chen, Jinzhou; Liu, Gengxin; Lei, Jinping; Hu, Wenhao; Qiu, Huang","A gold(i)-catalysed chemoselective three-component reaction between phenols, α-diazocarbonyl compounds and allenamides.","Chemical communications (Cambridge, England)","2020","56","11","1649","1652","10.1039/c9cc09470a","","x-ray","1.54184","CuKα","","0.0455","0.0419","","","0.1049","0.1139","","","","","","1.089","","","","has coordinates","248855","2020-10-21","18:00:00",""
"7126000","11.5591","0.0003","7.965","0.0002","17.2106","0.0005","90","","90","","90","","1584.55","0.07","170","","170","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C72 H72 Br4 N4 O8 -","4","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.0382","0.0314","","","0.0688","0.0722","","","","","","1.047","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7126145","8.28779","0.00011","5.59996","0.0001","24.2843","0.0004","90","","90","","90","","1127.07","0.03","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 Br N O -","- C14 H8 Br N O -","- C56 H32 Br4 N4 O4 -","4","1","","Shan, Xiang-Huan; Yang, Bo; Qu, Jian-Ping; Kang, Yan-Biao","CuSO<sub>4</sub>-Catalyzed dual annulation to synthesize O, S or N-containing tetracyclic heteroacenes.","Chemical communications (Cambridge, England)","2020","56","29","4063","4066","10.1039/d0cc01172j","","","1.54184","CuKα","","0.0307","0.0305","","","0.0831","0.0833","","","","","","1.044","","","","has coordinates","251540","2020-10-21","18:00:00",""
"7126464","20.25","0.003","12.5817","0.0017","18.94","0.003","90","","90","","90","","4825.5","1.2","153","2","153","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C53 H75 Al N4 -","- C53 H75 Al N4 -","- C212 H300 Al4 N16 -","4","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0362","0.0321","","","0.0669","0.0688","","","","","","1.035","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7126496","12.504","0.003","12.83","0.003","13.185","0.003","90","","90","","90","","2115.2","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 Fe N4 O4 -","- C14 H30 Cl4 Fe N4 O4 -","- C56 H120 Cl16 Fe4 N16 O16 -","4","1","","Hay, Moya A.; Sarkar, Arup; Craig, Gavin A.; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","A large axial magnetic anisotropy in trigonal bipyramidal Fe(ii).","Chemical communications (Cambridge, England)","2020","56","50","6826","6829","10.1039/d0cc02382e","","","0.71073","MoKα","","0.0895","0.0448","","","0.084","0.0996","","","","","","1.028","","","","has coordinates","253803","2020-10-21","18:00:00",""
"7127012","19.5107","0.0009","10.8907","0.0006","21.8866","0.001","90","","90","","90","","4650.6","0.4","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","19031; 2, K[LSnFeN2]","","","- C43 H68 Fe K N6 O P3 Sn -","- C43 H68 Fe K N6 O P3 Sn -","- C172 H272 Fe4 K4 N24 O4 P12 Sn4 -","4","1","","Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.","Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate.","Chemical communications (Cambridge, England)","2020","56","75","11030","11033","10.1039/d0cc04563b","","","0.71073","MoKα","","0.0638","0.0469","","","0.0705","0.0746","","","","","","1.045","","","","has coordinates","257260","2020-10-21","18:00:00",""
"7127214","10.5308","0.001","18.5025","0.0016","8.737","0.0007","90","","90","","90","","1702.4","0.3","293.9","0.5","293.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H20 O4 -","- C21 H19.432 O4 -","- C84 H77.728 O16 -","4","1","","Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long","Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.","Chemical communications (Cambridge, England)","2020","56","82","12439","12442","10.1039/d0cc05341d","","x-ray","1.54184","CuKα","","0.084","0.0706","","","0.1977","0.224","","","","","","1.041","","","","has coordinates,has disorder","260724","2021-01-07","05:01:31",""
"7127268","26.9151","0.0004","13.9396","0.0002","7.31714","0.00013","90","","90","","90","","2745.29","0.07","293.01","0.11","293.01","0.11","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H28 F2 N2 O4 -","- C33 H28 F2 N2 O4 -","- C132 H112 F8 N8 O16 -","4","1","","Shi, Wei-Yu; Ding, Ya-Nan; Liu, Ce; Zheng, Nian; Gou, Xue-Ya; Li, Ming; Zhang, Zhe; Liu, Hong-Chao; Niu, Zhi-Jie; Liang, Yong-Min","Three-component ruthenium-catalyzed remote C-H functionalization of 8-aminoquinoline amides.","Chemical communications (Cambridge, England)","2020","56","84","12729","12732","10.1039/d0cc05491g","","x-ray","1.54184","CuKα","","0.0365","0.0337","","","0.0839","0.0864","","","","","","1.066","","","","has coordinates","260700","2021-01-07","04:56:04",""
"7127419","8.2772","0.0005","8.0905","0.0004","35.589","0.002","90","","90","","90","","2383.3","0.2","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H18 Br7 Cs N2 Pb2 -","- C6 H18 Br7 Cs N2 Pb2 -","- C24 H72 Br28 Cs4 N8 Pb8 -","4","1","","Fu, Dongying; Wu, Shichao; Xin, Jianli; Zhang, Xinyuan; Han, Gaoyi; Zhang, Xian-Ming","Polar CsPbBr<sub>3</sub>-based Dion-Jacobson hybrid for promising UV photodetection.","Chemical communications (Cambridge, England)","2020","56","92","14381","14384","10.1039/d0cc05679k","","","0.71073","MoKα","","0.0847","0.0401","","","0.0794","0.0965","","","","","","0.996","","","","has coordinates","260679","2021-01-07","04:51:30",""
"7127466","16.21","0.0008","5.463","0.0003","30.5412","0.0019","90","","90","","90","","2704.6","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C120 H88 N8 O24 S8 -","8","2","","Wang, Ali; Xie, Xin; Zhang, Chunli; Liu, Yuanhong","Gold/Lewis acid catalyzed oxidative cyclization involving activation of nitriles.","Chemical communications (Cambridge, England)","2020","56","99","15581","15584","10.1039/d0cc06875f","","","0.71073","MoKα","","0.0658","0.0549","","","0.1571","0.1718","","","","","","1.051","","","","has coordinates","260629","2021-01-07","04:38:12",""
"7127753","10.8825","0.001","21.5798","0.0016","8.2395","0.0007","90","","90","","90","","1935","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H19 Cl -","- C24 H19 Cl -","- C96 H76 Cl4 -","4","1","","Xue, Ze-Jian; Li, Meng-Yao; Zhu, Bin-Bin; He, Zhi-Tao; Feng, Chen-Guo; Lin, Guo-Qiang","Stereoselective synthesis of conjugated trienes <i>via</i> 1,4-palladium migration/Heck sequence.","Chemical communications (Cambridge, England)","2020","56","92","14420","14422","10.1039/d0cc06452a","","","0.71073","MoKα","","0.0781","0.0449","","","0.0894","0.1086","","","","","","1.06","","","","has coordinates","260470","2021-01-04","18:16:24",""
"7127955","15.5254","0.0002","5.7261","0.0001","34.5954","0.0005","90","","90","","90","","3075.53","0.08","93","","93","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H32 F2 N2 O6 S4 -","- C30 H32 F2 N2 O6 S4 -","- C120 H128 F8 N8 O24 S16 -","4","1","","Taniguchi, Ryo; Noto, Naoki; Tanaka, Seiya; Takahashi, Keigo; Sarkar, Sujan K.; Oyama, Ryoko; Abe, Manabu; Koike, Takashi; Akita, Munetaka","Simple generation of various α-monofluoroalkyl radicals by organic photoredox catalysis: modular synthesis of β-monofluoroketones.","Chemical communications (Cambridge, England)","2021","57","21","2609","2612","10.1039/d0cc08060h","","x-ray","1.54184","CuKα","","0.0307","0.0303","","","0.0842","0.0845","","","","","","1.082","","","","has coordinates","263659","2021-04-05","14:04:55",""
"7128465","26.0464","0.0011","18.2137","0.0008","7.6051","0.0004","90","","90","","90","","3607.9","0.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C200 H144 O16 -","8","2","","Stefkova, Katarina; Heard, Matthew J.; Dasgupta, Ayan; Melen, Rebecca L.","Borane catalysed cyclopropenation of arylacetylenes.","Chemical communications (Cambridge, England)","2021","57","55","6736","6739","10.1039/d1cc01856f","","","1.54184","CuKα","","0.0804","0.0517","","","0.1171","0.1409","","","","","","1.049","","","","has coordinates","268510","2021-09-06","09:03:26",""
"7128498","24.572","0.002","6.9489","0.0007","7.4796","0.0007","90","","90","","90","","1277.1","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H10 Cl N O -","- C16 H10 Cl N O -","- C64 H40 Cl4 N4 O4 -","4","1","","Aher, Yogesh N.; Pawar, Amit B.","Cp*Co(III)-Catalyzed C−H Amination/Annulation Cascade of Sulfoxonium Ylides with Anthranils for the Synthesis of Indoloindolones","Chemical Communications","2021","","","","","10.1039/D1CC02817K","","x-ray","1.54184","CuKα","","0.1279","0.0845","","","0.2223","0.2889","","","","","","1.067","","","","has coordinates","266503","2021-06-17","01:03:42",""
"7128524","18.566","0.002","5.4612","0.0007","14.391","0.002","90","","90","","90","","1459.1","0.3","296","2","296.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","1","","Chen, Xinyu; Yang, Na; Zeng, Wen; Wang, Lei; Li, Pinhua; Li, Hongji","Metal-free dearomative [5+2]/[2+2] cycloaddition of 1<i>H</i>-indoles with <i>ortho</i>-(trimethylsilyl)aryl triflates.","Chemical communications (Cambridge, England)","2021","57","57","7047","7050","10.1039/d1cc02550c","","","0.71073","MoKα","","0.0866","0.0503","","","0.0844","0.0915","","","","","","1.025","","","","has coordinates","268546","2021-09-06","09:12:55",""
"7128780","26.359","0.0007","20.0663","0.0006","26.8991","0.0007","90","","90","","90","","14227.7","0.7","193","2","193","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C121 H145 Ag4 Au2 Cl2 F24 P2 Sb4 -","- C121 H143 Ag4 Au2 Cl4 F24 P2 Sb4 -","- C484 H572 Ag16 Au8 Cl16 F96 P8 Sb16 -","4","1","","Navarro, Miquel; Miranda-Pizarro, Juan; Moreno, Juan J.; Navarro-Gilabert, Carlos; Fernández, Israel; Campos, Jesús","A dicoordinate gold(I)-ethylene complex.","Chemical communications (Cambridge, England)","2021","57","73","9280","9283","10.1039/d1cc02769g","","","0.71073","MoKα","","0.074","0.0459","","","0.1094","0.1257","","","","","","1.033","","","","has coordinates,has disorder","269613","2021-10-06","13:46:36",""
"7129140","28.5959","0.0019","7.4128","0.0005","11.4628","0.0008","90","","90","","90","","2429.8","0.3","104.6","","104.6","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-N-Styrylphthalimide","","- C32 H22 N2 O4 -","- C32 H22 N2 O4 -","- C128 H88 N8 O16 -","4","1","","Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.","Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides","Chemical Communications","2021","","","","","10.1039/D1CC04356K","","x-ray","0.71073","MoKα","","0.0348","0.032","","","0.0937","0.0969","","","","","","0.867","","","","has coordinates","270026","2021-10-19","22:03:01",""
"7129202","14.834","0.003","8.096","0.0016","14.131","0.003","90","","90","","90","","1697.1","0.6","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H24 Ir N -","- C19 H24 Ir N -","- C76 H96 Ir4 N4 -","4","1","","Kim, Youyoung; Kim, Dongwook; Chang, Sukbok","Ir(iii)-Catalysed electrooxidative intramolecular dehydrogenative C–H/N–H coupling for the synthesis of N–H indoles","Chemical Communications","2021","","","","","10.1039/D1CC05882G","","","0.65","synchrotron","","0.0209","0.0193","","","0.0492","0.0497","","","","","","1.048","","","","has coordinates","270307","2021-11-04","22:58:56",""
"7129276","25.9451","0.0007","4.2425","0.0001","11.7127","0.0003","90","","90","","90","","1289.24","0.06","160","1","160","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H15 Cl O2 -","- C15 H15 Cl O2 -","- C60 H60 Cl4 O8 -","4","1","","Alberto, Roger; Lengacher, Raphael; Wang, Youchao; Braband, Henrik; Blacque, Olivier; Gasser, Gilles","Organometallic Small Molecule Kinase Inhibitors – Direct Incorporation of Re and 99mTc into Opaganib®","Chemical Communications","2021","","","","","10.1039/D1CC03678E","","x-ray","1.54184","CuKα","","0.0565","0.0545","","","0.1522","0.1533","","","","","","1.16","","","","has coordinates","270789","2021-11-20","22:56:06",""
"7129331","22.1929","0.0004","12.0792","0.0003","7.0699","0.0002","90","","90","","90","","1895.25","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C100 H88 N8 O4 -","4","1","","Xia, Dong; Duan, Xin-Fang","Tandem vinyl radical Minisci-type annulation on pyridines: one-pot expeditious access to azaindenones","Chemical Communications","2021","","","","","10.1039/D1CC06204B","","","1.54184","CuKα","","0.0377","0.0363","","","0.0935","0.0949","","","","","","1.051","","","","has coordinates","270945","2021-11-30","22:56:06",""
"7129509","13.9132","0.0006","10.6234","0.0005","12.9987","0.0007","90","","90","","90","","1921.28","0.16","200","0.1","200","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","2D MOF","","- C11 H21 Ag4 F3 O2 S3 -","- C11 H21 Ag4 F3 O2 S3 -","- C44 H84 Ag16 F12 O8 S12 -","4","1","","Gong, Chun-Hua; Hu, Xiaozong; Han, Zhen; Liu, Xiao-Fei; Yang, Min-Zi; Zang, Shuang-Quan","Epitaxial Coordination Assembly of Semi-conductive Silver-chalcogenide Layer-based MOF","Chemical Communications","2022","","","","","10.1039/D1CC07160B","","x-ray","0.71073","MoKα","","0.0427","0.0317","","","0.085","0.1192","","","","","","1.198","","","","has coordinates","271889","2022-01-06","22:53:20",""
"7129531","10.2718","0.0002","9.7571","0.0003","10.9209","0.0003","90","","90","","90","","1094.53","0.05","293","2","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H N O -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.0363","0.0356","","","0.0975","0.0984","","","","","","1.093","","","","has coordinates","271974","2022-01-10","22:51:08",""
"7129532","10.0228","0.0005","9.8396","0.0005","11.04","0.0005","90","","90","","90","","1088.77","0.09","293","2","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.058","0.054","","","0.1557","0.1625","","","","","","1.127","","","","has coordinates","271974","2022-01-10","22:51:09",""
"7129541","12.4644","0.0007","11.8934","0.0006","15.4819","0.0007","90","","90","","90","","2295.1","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H20 Cl2 N2 O2 -","- C28 H20 Cl2 N2 O2 -","- C112 H80 Cl8 N8 O8 -","4","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Choutipalli, Venkata Surya Kumar; Subramanian, Venkatesan; Baidya, Mahiuddin","Diastereoselective access to [4,4]-carbospirocycles: governance of thermodynamic enolates with organocatalyst in vinylogous cascade annulation","Chemical Communications","2022","","","","","10.1039/D1CC06544K","","","0.71073","MoKα","","0.0524","0.0378","","","0.0835","0.092","","","","","","1.004","","","","has coordinates","271987","2022-01-11","22:52:02",""
"7129908","16.8069","0.0004","17.5647","0.0004","20.378","0.0005","90","","90","","90","","6015.8","0.2","120","2","120.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H68 Cl4 Cu4 N16 O24 -","- C48 H68 Cl4 Cu4 N16 O24 -","- C192 H272 Cl16 Cu16 N64 O96 -","4","1","","Martínez-Camarena, Álvaro; Merino, Marián; Sánchez Sánchez, Ana Virginia; Blasco, Salvador; Llinares, Jose Miguel; Mullor, José Luis; García-España, Enrique","An antioxidant boehmite amino-nanozyme able to disaggregate Huntington’s inclusion bodies","Chemical Communications","2022","","","","","10.1039/D2CC01257J","","","0.71073","MoKα","","0.1244","0.0556","","","0.1181","0.1547","","","","","","1.015","","","","has coordinates","274132","2022-03-30","21:56:54",""
"7130146","17.0936","0.0009","9.1661","0.0005","9.2363","0.0005","90","","90","","90","","1447.16","0.13","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Chen, Zhuowen; He, Qiuqin; Guo, Hao; Fan, Renhua","Anodic dearomatization of 2-alkynylanilines for the synthesis of multi-functionalized indoles","Chemical Communications","2022","","","","","10.1039/D2CC01766K","","","1.34138","GaKα","","0.0325","0.0308","","","0.0776","0.0794","","","","","","1.05","","","","has coordinates","275641","2022-05-25","21:54:17",""
"7130165","18.614","0.01","11.422","0.006","11.422","","90","","90","","90","","2428.4","1.8","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H27 Mo2 N3 O2 Se6 -","- C10 H27 Mo2 N3 O2 Se6 -","- C40 H108 Mo8 N12 O8 Se24 -","4","1","","Elliott, Alexander; McAllister, James; Masaityte, Liudvika; Segado-Centellas, Mireia; Long, De-Liang; Ganin, Alexey Y.; Song, Yu-Fei; Bo, Carles; Miras, Haralampos N.","Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation","Chemical Communications","2022","","","","","10.1039/D2CC01226J","","","0.71073","MoKα","","0.0373","0.0344","","","0.0837","0.0847","","","","","","1.059","","","","has coordinates","275718","2022-06-01","21:55:22",""
"7130176","19.243","0.0014","4.7234","0.0003","15.8545","0.0012","90","","90","","90","","1441.05","0.18","140","2","140","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H12 O6 Te -","- C16 H12 O6 Te -","- C64 H48 O24 Te4 -","4","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.0821","0.0515","","","0.1028","0.1149","","","","","","1.023","","","","has coordinates,has disorder","275722","2022-06-01","22:00:12",""
"7130197","9.8114","0.0008","21.6884","0.0017","9.7138","0.0007","90","","90","","90","","2067","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H23 B N2 O2 -","- C26 H23 B N2 O2 -","- C104 H92 B4 N8 O8 -","4","1","","Işık, Murat; Dündar, Esra; Şahin, Ertan; Tanyeli, Cihangir","A boron dipyrromethene chiral at boron and carbon with a bent geometry: synthesis, resolution and chiroptical properties","Chemical Communications","2022","","","","","10.1039/D2CC02179J","","","0.71073","MoKα","","0.0987","0.043","","","0.083","0.1032","","","","","","1.06","","","","has coordinates","275881","2022-06-07","21:53:38",""
"7130507","17.28","0.003","5.9478","0.0009","10.4426","0.0017","90","","90","","90","","1073.3","0.3","121.15","","121.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(tert-butyl)-N-methylpivalamide","","- C10 H21 N O -","- C10 H21 N O -","- C40 H84 N4 O4 -","4","1","","Tomasini, Michele; Zhang, Jin; Zhao, Hui; Besalu, Emili; Falivene, Laura; Caporaso, Lucia; Szostak, Michal; Poater, Albert","A Predictive Journey Towards trans-Thioamides/Amides","Chemical Communications","2022","","","","","10.1039/D2CC04228B","","","1.34138","GaKα","","0.0529","0.05","","","0.1418","0.1464","","","","","","1.159","","","","has coordinates","277190","2022-08-10","21:51:30",""
"7130622","11.73919","","6.86049","","11.46433","","90","","90","","90","","923.298","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Cesium-0.31 Potassium-0.69 Hexaselenophosphate","","- Cs0.31 K0.69 P Se6 -","- Cs K P Se6 -","- Cs4 K4 P4 Se24 -","4","1","","Sharma, Alpa; Kour, Harpreet; Kour, Jaspreet; Kamal, Kamal; Sawant, Sanghapal D.","Visible-light-promoted iron catalyzed C–H functionalization of 1,4-naphthoquinones via oxidative coupling with sulfoximines","Chemical Communications","2022","","","","","10.1039/D2CC03319D","","","","","","","","","","","","","","","","","","","","","has coordinates","277505","2022-08-31","21:53:52",""
"7131006","11.6867","0.001","19.3211","0.0017","7.1481","0.0006","90","","90","","90","","1614","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","SG-46","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Park, Min Seo; Chung, Eunjae; Mishra, Neeraj Kumar; Han, Sang Hoon; Han, Sangil; Kim, Saegun; Kim, In Su","C–H amidation of 2-aryl azlactones under iridium(iii) catalysis: access to chiral amino acids","Chemical Communications","2022","","","","","10.1039/D2CC05245H","","","0.71073","MoKα","","0.1231","0.069","","","0.1191","0.1372","","","","","","1.029","","","","has coordinates","279299","2022-11-15","22:55:11",""
"7131016","26.5674","0.0011","3.90265","0.00014","12.4158","0.0005","90","","90","","90","","1287.31","0.09","103","2","103.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C72 H40 S8 -","4","1","","Matsuo, Kyohei; Okumura, Rina; Hayashi, Hironobu; Aratani, Naoki; Jinnai, Seihou; Ie, Yutaka; Saeki, Akinori; Yamada, Hiroko","Phosphaacene as a structural analogue of thienoacenes for organic semiconductors","Chemical Communications","2022","","","","","10.1039/D2CC05122B","","x-ray","0.71075","MoKα","","0.0524","0.0473","","","0.1048","0.1081","","","","","","1.1","","","","has coordinates","279443","2022-11-21","22:58:16",""
"7131029","12.7442","0.0006","10.7342","0.0005","9.7366","0.0004","90","","90","","90","","1331.96","0.1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.0776","0.069","","","0.1529","0.1581","","","","2.36","2.36","2.25","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131030","12.8959","0.0008","10.7975","0.0006","9.8301","0.0006","90","","90","","90","","1368.78","0.14","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.1173","0.099","","","0.2051","0.2199","","","","2.8","2.8","2.58","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131031","12.9023","0.0008","10.7957","0.0006","9.8304","0.0006","90","","90","","90","","1369.27","0.14","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.1046","0.0897","","","0.1898","0.2032","","","","2.9","2.9","2.76","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131032","12.8539","0.0007","10.7924","0.0005","9.8369","0.0006","90","","90","","90","","1364.62","0.13","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.1037","0.0923","","","0.1956","0.2002","","","","2.82","2.82","2.61","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131033","12.8611","0.0007","10.7902","0.0006","9.8361","0.0006","90","","90","","90","","1364.99","0.13","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.0978","0.0842","","","0.1833","0.1931","","","","2.89","2.89","2.7","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131034","12.8116","0.0011","10.7825","0.0009","9.8623","0.001","90","","90","","90","","1362.4","0.2","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.0842","0.0742","","","0.176","0.1805","","","","3.33","3.33","3.1","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131169","18.5743","0.0004","11.9001","0.0003","16.6826","0.0004","90","","90","","90","","3687.46","0.15","150.01","0.1","150.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H55 Be N2 Na Si2 -","- C36 H55 Be N2 Na Si2 -","- C144 H220 Be4 N8 Na4 Si8 -","4","1","","Pearce, Kyle G.; Hill, Michael S.; Mahon, Mary F.","Beryllium-centred C-H activation of benzene.","Chemical communications (Cambridge, England)","2023","59","11","1453","1456","10.1039/d2cc06702a","","","1.54184","CuKα","","0.0448","0.0375","","","0.0867","0.0909","","","","","","1.036","","","","has coordinates","283130","2023-05-05","00:38:58",""
"7131214","20.05","0.004","16.6","0.003","10.28","0.002","90","","90","","90","","3421.5","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","2","","Tang, Nana; Zachmann, Raphael J.; Xie, Hui; Zheng, Jun; Breit, Bernhard","Visible-light induced metal-free intramolecular reductive cyclisations of ketones with alkynes and allenes.","Chemical communications (Cambridge, England)","2023","59","15","2122","2125","10.1039/d2cc06972e","","x-ray","0.71073","MoKα","","0.0378","0.0342","","","0.086","0.0889","","","","","","1.046","","","","has coordinates","283097","2023-05-05","00:27:14",""
"7131362","11.7433","0.0006","5.9456","0.0003","11.6103","0.0006","90","","90","","90","","810.64","0.07","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Eu3 Ge O S4 -","- Eu3 Ge O S4 -","- Eu12 Ge4 O4 S16 -","4","1","","Yang, Mei; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","The first quaternary rare-earth oxythiogermanate with second-harmonic generation and ferromagnetic behavior.","Chemical communications (Cambridge, England)","2023","59","26","3894","3897","10.1039/d2cc06703j","","","0.71073","MoKα","","0.0143","0.014","","","0.0281","0.0282","","","","","","1.071","","","","has coordinates","282272","2023-04-04","09:49:59",""
"7131389","16.6782","0.0006","8.0492","0.0003","14.5029","0.0005","90","","90","","90","","1946.96","0.12","170","","170","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Zhou, Haipin; Pan, Rui; Xu, Menghua; Ma, Jiao; Lin, Aijun; Yao, Hequan","Construction of oxygenated 2-azabicyclo[2.2.1]heptanes <i>via</i> palladium-catalyzed 1,2-aminoacyloxylation of cyclopentenes.","Chemical communications (Cambridge, England)","2023","59","24","3574","3577","10.1039/d2cc06581a","","","0.71073","MoKα","","0.0487","0.0355","","","0.0737","0.0818","","","","","","1.088","","","","has coordinates","282249","2023-04-04","09:34:25",""
"7131422","19.0456","0.0002","17.8906","0.0001","17.0806","0.0001","90","","90","","90","","5820","0.08","100","0.1","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","molybdenum oxo bis(dipivaloylmethanate) triflate","","- C23 H38 F3 Mo O8 S -","- C23 H38 F3 Mo O8 S -","- C184 H304 F24 Mo8 O64 S8 -","8","2","","Masero, Fabio; Mougel, Victor","Molybdenum(IV) β-diketonate complexes as highly active catalysts for allylic substitution reactions.","Chemical communications (Cambridge, England)","2023","59","31","4636","4639","10.1039/d3cc00572k","","x-ray","1.54184","CuKα","","0.0314","0.0304","","","0.078","0.0785","","","","","","1.07","","","","has coordinates,has disorder","283095","2023-05-05","00:26:44",""
"7131795","16.8943","0.0006","9.1586","0.0003","13.1298","0.0004","90","","90","","90","","2031.55","0.12","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Br N3 O2 -","- C21 H24 Br N3 O2 -","- C84 H96 Br4 N12 O8 -","4","1","","Karjee, Pallab; Mandal, Santu; Debnath, Bijoy; Namdev, Nirali; Punniyamurthy, Tharmalingam","Expedient (3+3)-annulation of <i>in situ</i> generated azaoxyallyl cations with diaziridines.","Chemical communications (Cambridge, England)","2023","59","53","8270","8273","10.1039/d3cc02136j","","","0.71073","MoKα","","0.0536","0.0347","","","0.0983","0.1321","","","","","","0.921","","","","has coordinates","284711","2023-06-29","21:55:18",""
"7132021","24.1488","0.0009","9.1691","0.0004","20.0496","0.0006","90","","90","","90","","4439.4","0.3","170","","170","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H46 B F15 Fe N2 P2 -","- C42 H46 B F15 Fe N2 P2 -","- C168 H184 B4 F60 Fe4 N8 P8 -","4","1","","Zurakowski, Joseph A.; Drover, Marcus W.","Cooperative Bond Activations by a Tucked-In Iron Complex","Chemical Communications","2023","","","","","10.1039/D3CC03325B","","","0.71073","MoKα","","0.0434","0.033","","","0.0759","0.0831","","","","","","1.057","","","","has coordinates,has disorder","285789","2023-08-16","21:57:30",""
"7132356","23.1152","0.0005","13.6692","0.0003","18.0823","0.0004","90","","90","","90","","5713.4","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C62 H86 Al2 N4 S -","- C62 H86 Al2 N4 S -","- C248 H344 Al8 N16 S4 -","4","1","","McMullen, Jacob; White, Andrew J. P.; Crimmin, Mark Richard","Ring-Expansion and Desulfurisation of Thiophenes with an Aluminium(I) Reagent","Chemical Communications","2023","","","","","10.1039/D3CC04594C","","","1.54184","CuKα","","0.0818","0.0522","","","0.0963","0.1155","","","","","","1.082","","","","has coordinates","287653","2023-11-16","22:56:22",""
"7132381","18.6607","0.0004","6.0929","0.0002","22.6838","0.0007","90","","90","","90","","2579.1","0.13","220","2","220","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cs N O -","- C14 H12 Cs N O -","- C112 H96 Cs8 N8 O8 -","8","2","","Wacker, Jakoba; Lynch, Jennifer R.; Banerjee, Sumanta; Macdonald, Peter A.; Kennedy, Alan R.; Sarkar, Biprajit; Mulvey, Robert E.","Isolable rubidium and caesium derivatives of common organic carbonyl compounds.","Chemical communications (Cambridge, England)","2023","60","1","91","94","10.1039/d3cc05527b","","","1.54184","CuKα","","0.0469","0.0389","","","0.097","0.1147","","","","","","1.194","","","","has coordinates","289325","2024-02-04","11:02:09",""
"7132429","14.4808","0.0011","12.6637","0.0009","20.244","0.0014","90","","90","","90","","3712.4","0.5","260","","260","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H36 Al F11 N2 -","- C39 H36 Al F11 N2 -","- C156 H144 Al4 F44 N8 -","4","1","","Ju, Shaoying; Zhang, Chi; Tang, Beili; Liu, Liu Leo; Stephan, Douglas W.; Wu, Yile","The Lewis superacidic aluminium cation: [(NHC)Al(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2024","60","6","698","701","10.1039/d3cc05440c","","","1.54178","CuKα","","0.068","0.0564","","","0.1304","0.1391","","","","","","1.092","","","","has coordinates","289358","2024-02-04","11:14:21",""
"7132534","42.402","0.004","11.4012","0.0012","16.4543","0.0016","90","","90","","90","","7954.6","1.4","150.02","","150.02","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H31 Cl8 Ga N2 P2 -","- C37 H31 Cl8 Ga N2 P2 -","- C296 H248 Cl64 Ga8 N16 P16 -","8","2","","Kim, Hyehwang; Lough, Alan; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Addition and NN bond cleavage of diazo-compounds by phosphino-phosphenium cations.","Chemical communications (Cambridge, England)","2024","60","8","1031","1034","10.1039/d3cc05728c","","","0.71073","MoKα","","0.1013","0.0521","","","0.1007","0.1155","","","","","","0.9821","","","","has coordinates","289330","2024-02-04","11:04:16",""
"7132564","27.071","0.009","13.5223","0.0006","7.5005","0.0004","90","","90","","90","","2745.6","0.9","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H21 F6 N O -","- C34 H21 F6 N O -","- C136 H84 F24 N4 O4 -","4","1","","Barhate, Komal Vasant; Wadawale, Amey P.; Chandrakumar, K. R. S.; Agarwal, Neeraj","Modulation of Δ<i>E</i><sub>ST</sub> and room temperature phosphorescence in carbazole derivatives.","Chemical communications (Cambridge, England)","2024","60","11","1408","1411","10.1039/d3cc05119f","","x-ray","1.54184","CuKα","","0.0874","0.0651","","","0.2021","0.2847","","","","","","1.301","","","","has coordinates,has disorder","289386","2024-02-04","11:23:31",""
"7132588","17.469","0.005","7.599","0.002","11.007","0.003","90","","90","","90","","1461.1","0.7","298","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Zheng, Peng Xuan; Ou, Song Lin; Qu, Lei Yu; Zhang, Ying; Jiang, Shi Qing; Li, Xiang; Wan, Jun Xiong; Zhang, Min; Bao, Xin","Enriched switching in a donor-acceptor Stenhouse adduct <i>via</i> reversible covalent bonding.","Chemical communications (Cambridge, England)","2024","60","10","1333","1336","10.1039/d3cc03160h","","","0.71073","MoKα","","0.0573","0.0368","","","0.0716","0.0781","","","","","","1.028","","","","has coordinates","289320","2024-02-04","11:00:36",""
"7132596","24.6915","0.0005","14.7339","0.0003","15.6091","0.0003","90","","90","","90","","5678.6","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C73 H55 Cl3 N6 O3 -","- C73 H55 Cl3 N6 O3 -","- C292 H220 Cl12 N24 O12 -","4","1","","Chen, Lihua; Li, Chenfei; Liu, Zheng-Fei; Kuboi, Yoshiaki; Fu, Enguang; Vargas, Lydia Sosa; Adachi, Chihaya; Mathevet, Fabrice; Zhang, Shaodong","A donor-acceptor cage for circularly polarized TADF emission.","Chemical communications (Cambridge, England)","2024","60","13","1758","1761","10.1039/d3cc05136f","","","1.54178","CuKα","","0.0605","0.0519","","","0.1404","0.149","","","","","","1.038","","","","has coordinates","290089","2024-03-04","19:49:58",""
"7132675","7.534","0.002","12.716","0.003","15.945","0.004","90","","90","","90","","1527.6","0.7","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H16 F2 O2 -","- C19 H16 F2 O2 -","- C76 H64 F8 O8 -","4","1","","Yu, Jiulong; Wu, Jinyu; Zhu, Yu; Xiong, Dong; Yang, Lin; Li, Jun; Zheng, Jianfeng","Chiral phosphoric acid-catalyzed enantioselective [5+1] cycloaddition reaction of <i>C</i>,<i>N</i>-cyclic azomethine imines with isocyanides.","Chemical communications (Cambridge, England)","2024","60","19","2637","2640","10.1039/d3cc05890e","","","1.54178","CuKα","","0.043","0.0318","","","0.0762","0.0946","","","","","","1.168","","","","has coordinates","290081","2024-03-04","19:47:50",""
"7133005","10.0123","0.0006","18.3467","0.0008","10.107","0.0004","90","","90","","90","","1856.58","0.16","295","0.1","295","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Kumar, Dharmendra; Unnikrishnan, Urmila; Kuram, Malleswara Rao","Facile access to C-substituted piperazin-2-ones and mianserin derivative enabled by chemoselective carbene insertion and cyclization cascade","Chemical Communications","2024","","","","","10.1039/D4CC00959B","","x-ray","1.54184","CuKα","","0.0402","0.0359","","","0.0923","0.0956","","","","","","1.05","","","","has coordinates","291737","2024-05-06","22:03:32",""
"7133041","10.399","0.002","13.561","0.003","9.888","0.0018","90","","90","","90","","1394.4","0.5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","1","","Suryawanshi, Sharad Madhukar; Sahoo, Suman; Shaligram, Parth S.; Manna, Narugopal; Samanta, Ramesh C.","Electrochemically enabled (3+2) cycloaddition of unbiased alkenes and β-dicarbonyls","Chemical Communications","2024","","","","","10.1039/D4CC01263A","","","0.71073","MoKα","","0.1378","0.0637","","","0.11","0.1352","","","","","","1.033","","","","has coordinates","291804","2024-05-10","21:57:57",""
"7150055","22.845","0.004","11.858","0.002","7.188","0.001","90","","90","","90","","1947.2","0.5","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1-Methyl-3-phenyl-5-(thienyl-2)-7,8- dimethoxypyrazolo(3,4)isoquinoline","1-Methyl-3-phenyl-5-(thienyl-2)-7,8-dimethoxypyrazolo[3,4]isoquinoline","","- C23 H19 N3 O2 S -","- C23 H19 N3 O2 S -","- C92 H76 N12 O8 S4 -","4","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.0528","0.0392","","","0.0797","0.0847","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150155","15.717","0.003","6.1884","0.0012","39.42","0.008","90","","90","","90","","3834.1","1.3","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H25 N O2 S2 -","- C20 H25 N O2 S2 -","- C160 H200 N8 O16 S16 -","8","2","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0583","0.0418","","","0.0976","0.1047","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150445","15.45","0.01","10.49","0.007","10.828","0.007","90","","90","","90","","1755","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","jrc0831n","","","- C18 H15 Cl F2 O3 S -","- C18 H15 Cl F2 O3 S -","- C72 H60 Cl4 F8 O12 S4 -","4","1","","Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H","The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.","Organic & biomolecular chemistry","2006","4","9","1806","1810","10.1039/b601647b","","","0.71073","MoKα","","0.0622","0.0515","","","0.1173","0.1225","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150876","8.5186","0.0006","14.4133","0.0011","19.634","0.0015","90","","90","","90","","2410.7","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H28 O8 -","- C26 H28 O8 -","- C104 H112 O32 -","4","1","","Guan, Zheng-Hui; Ren, Zhi-Hui; Zhao, Lian-Biao; Liang, Yong-Min","Palladium-catalyzed synthesis of indene derivatives via propargylic carbonates with in situ generated organozinc compounds","Organic & Biomolecular Chemistry","2008","6","6","1040","1045","10.1039/b719957k","","","0.71073","MoKα","","0.0676","0.0449","","","0.1131","0.1276","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150961","16.537","0.003","12.716","0.002","16.984","0.003","90","","90","","90","","3571.5","1.1","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C152 H168 N8 O32 S8 -","8","2","","Chau, Chi-Min; Liu, Kuan-Miao","Diels‒Alder reactions of three fused nitrogen-containing bicyclic enones: an efficient method toward novel nitrogen-containing angular tricyclic skeletons","Organic & Biomolecular Chemistry","2008","6","17","3127","3134","10.1039/b806773m","","","0.71073","MoKα","","0.1826","0.1268","","","0.2733","0.3135","","","","","","1.011","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7151075","19.88","0.003","9.8369","0.0016","15.11","0.002","90","","90","","90","","2954.9","0.8","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H18 F2 N2 O -","- C17 H18 F2 N2 O -","- C136 H144 F16 N16 O8 -","8","2","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.1157","0.0547","","","0.1219","0.1632","","","","","","0.916","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151094","8.1168","0.0011","18.618","0.005","10.168","0.002","90","","90","","90","","1536.6","0.6","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H19 N O S -","- C17 H19 N O S -","- C68 H76 N4 O4 S4 -","4","1","","Murphy, Maureen; Lynch, Denis; Schaeffer, Marcel; Kissane, Marie; Chopra, Jay; O'brien, Elisabeth; Ford, Alan; Ferguson, George; Maguire, Anita R.","Investigation of the synthetic and mechanistic aspects of the highly stereoselective transformation of alpha-thioamides to alpha-thio-beta-chloroacrylamides.","Organic & biomolecular chemistry","2007","5","8","1228","1241","10.1039/b618540a","","","0.71073","MolybdenumKα","","0.1086","0.0827","","","0.2049","0.2278","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151225","13.3627","0.0003","15.6068","0.0003","27.3395","0.0007","90","","90","","90","","5701.6","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H44 B N O8 -","- C25 H44 B N O8 -","- C200 H352 B8 N8 O64 -","8","2","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","x-ray","0.71073","MoKα","","0.0644","0.0437","","","0.093","0.1028","","","","","","1.053","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151320","11.7699","0.0008","9.9771","0.0007","21.9102","0.0015","90","","90","","90","","2572.9","0.3","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","milkb01","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","2","","Bucholtz, Kevin M.; Gareiss, Peter C.; Tajc, Stephen G.; Miller, Benjamin L.","Synthesis and evaluation of the first cis-cyclobutane-containing receptor for lipid A.","Organic & biomolecular chemistry","2006","4","21","3973","3979","10.1039/b610727c","","","0.71073","MoKα","","0.0718","0.0568","","","0.1521","0.1608","","","","","","1.056","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151347","23.051","0.001","7.509","0.001","7.739","0.001","90","","90","","90","","1339.5","0.3","198","2","198","2","","","","","","","","4","P c a 21","P 2c -2ac","29","clausine H","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Kataeva, Olga; Krahl, Micha P.; Knölker, Hans-Joachim","First total synthesis of the biologically active 2,7-dioxygenated tricyclic carbazole alkaloids 7-methoxy-O-methylmukonal, clausine H (clauszoline-C), clausine K (clauszoline-J) and clausine O.","Organic & biomolecular chemistry","2005","3","17","3099","3101","10.1039/b507660a","","","0.71073","MoKα","","0.0458","0.0324","","","0.0693","0.074","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151386","15.1929","0.0006","7.2142","0.0003","7.2588","0.0003","90","","90","","90","","795.6","0.06","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1-(2-hydroxy-5-nitrophenyl)ethanone","1-(2-hydroxy-5-nitrophenyl)ethanone","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","","Hibbs, David E.; Overgaard, Jacob; Piltz, Ross O.","X‒N Charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanoneElectronic supplementary information (ESI) available: multipole population coefficients and pseudoatom parameterization. See http://www.rsc.org/suppdata/ob/b2/b211683a/","Organic & Biomolecular Chemistry","2003","1","7","1191","","10.1039/b211683a","","neutron","1.235","Neutron","","0.0235","0.0226","","","0.0548","0.0554","","","","","","1.18","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151387","15.2399","","7.2338","","7.2773","","90","","90","","90","","802.267","","100","1","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","1-(2-hydroxy-5-nitrophenyl)ethanone","1-(2-hydroxy-5-nitrophenyl)ethanone","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","","Hibbs, David E.; Overgaard, Jacob; Piltz, Ross O.","X‒N Charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanoneElectronic supplementary information (ESI) available: multipole population coefficients and pseudoatom parameterization. See http://www.rsc.org/suppdata/ob/b2/b211683a/","Organic & Biomolecular Chemistry","2003","1","7","1191","","10.1039/b211683a","","","0.71073","MoKα","","0.027","0.026","","","0.022","0.022","","","","","","2","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151416","12.818","0.007","10.012","0.005","29.263","0.014","90","","90","","90","","3755","3","115","2","115","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H24 O2 Si2 -","- C16 H24 O2 Si2 -","- C128 H192 O16 Si16 -","8","2","","Sankararaman, Sethuraman; Srinivasan, Manivannan","Synthesis of differentially protected/functionalised acetylenic building blocks from p-benzoquinone and their use in the synthesis of new enediynesElectronic supplementary information (ESI) available: 400 MHz 1H NMR and 13C NMR spectra. See http://www.rsc.org/suppdata/ob/b3/b302323k/","Organic & Biomolecular Chemistry","2003","1","13","2388","","10.1039/b302323k","","","0.71073","MoKα","","0.159","0.0757","","","0.1745","0.2075","","","","","","0.846","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151612","18.905","0.003","4.7718","0.0007","33.799","0.005","90","","90","","90","","3049","0.8","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(E)-4-(11-azuleno(1,2-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[1,2-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C160 H112 O8 S8 -","8","2","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative","Organic & Biomolecular Chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.1765","0.0827","","","0.1934","0.2379","","","","","","0.917","","","","has coordinates","275176","2022-05-07","00:55:58",""
"7151640","18.2767","0.0008","5.6221","0.0002","14.5289","0.0006","90","","90","","90","","1492.89","0.1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 N S2 -","- C17 H15 N S2 -","- C68 H60 N4 S8 -","4","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.0504","0.0356","","","0.0633","0.0655","","","","","","0.914","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151645","12.175","0.0002","10.9843","0.0002","14.5988","0.0002","90","","90","","90","","1952.35","0.05","150","2","150","2","","","","","","","synthesized by the authors","6","P c a 21","P 2c -2ac","29","","","","- C18 H18 F3 N O3 S2 -","- C18 H18 F3 N O3 S2 -","- C72 H72 F12 N4 O12 S8 -","4","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0362","0.0333","","","0.0864","0.0893","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151699","8.894","0.0003","8.467","0.0003","15.2509","0.0006","90","","90","","90","","1148.48","0.07","260","2","260","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Smith, Catherine J.; Smith, Christopher D.; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","Flow synthesis of organic azides and the multistep synthesis of imines and amines using a new monolithic triphenylphosphine reagent.","Organic & biomolecular chemistry","2011","9","6","1927","1937","10.1039/C0OB00813C","","","0.71073","MoKα","","0.0399","0.0338","","","0.0851","0.0907","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151733","10.5806","0.0005","10.1271","0.0005","40.3707","0.0018","90","","90","","90","","4325.8","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Compound-66","","","- C24 H26 N4 O3 S -","- C24 H26 N4 O3 S -","- C192 H208 N32 O24 S8 -","8","2","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.05","0.0425","","","0.0916","0.095","","","","","","1.085","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7152105","8.7105","0.0006","8.3893","0.0006","41.097","0.003","90","","90","","90","","3003.2","0.4","132","2","132","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H13 Cl N2 O2 S -","- C17 H13 Cl N2 O2 S -","- C136 H104 Cl8 N16 O16 S8 -","8","2","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.0746","0.0562","","","0.1334","0.143","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152175","20.6692","0.0004","7.93121","0.00018","29.3363","0.0008","90","","90","","90","","4809.15","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H14 Cl3 O P S4 -","- C21 H14 Cl3 O P S4 -","- C168 H112 Cl24 O8 P8 S32 -","8","2","","Wan, Jun-Hua; Fang, Wei-Fen; Li, Yi-Bao; Xiao, Xu-Qiong; Zhang, Li-Hong; Xu, Zheng; Peng, Jia-Jian; Lai, Guo-Qiao","Phosphole modified pentathienoacene: Synthesis, electronic properties and self-assembly.","Organic & biomolecular chemistry","2012","10","7","1459","1466","10.1039/c1ob06584j","","","0.71073","MoKα","","0.0737","0.0576","","","0.141","0.1509","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152323","19.7487","0.0016","9.7599","0.0008","18.467","0.0012","90","","90","","90","","3559.4","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C176 H144 N16 O8 -","8","2","","Bhanuchandra, M.; Kuram, Malleswara Rao; Sahoo, Akhila K.","A convenient approach to β-heteroarylated (C-N bond) ketones from Cs(2)CO(3) promoted reaction between propargyl alcohols and nitrogen-heterocycles.","Organic & biomolecular chemistry","2012","10","17","3538","3555","10.1039/c2ob25165e","","","0.71073","MoKα","","0.1286","0.0554","","","0.0918","0.1178","","","","","","1.04","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152661","13.6753","0.0018","8.3473","0.0011","15.493","0.002","90","","90","","90","","1768.6","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0766","0.0541","","","0.1323","0.1484","","","","","","1.027","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152689","9.6609","0.0009","11.5354","0.0011","9.136","0.0005","90","","90","","90","","1018.14","0.15","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0803","0.0401","","","0.0754","0.0878","","","","","","0.982","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152952","10.3528","0.0004","10.3325","0.0003","18.7803","0.0007","90","","90","","90","","2008.93","0.12","123","1","123","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C84 H116 N12 O12 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0259","0.0242","","","0.0609","0.0624","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153019","10.298","0.004","11.735","0.005","22.178","0.009","90","","90","","90","","2680.1","1.9","110","2","110","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H29 O8 -","- C27 H29 O8 -","- C108 H116 O32 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.1305","0.115","","","0.2318","0.2409","","","","","","1.196","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153031","22.603","0.004","11.0296","0.0019","10.1777","0.0017","90","","90","","90","","2537.3","0.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","compound 5d","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.1193","0.0606","","","0.1159","0.1283","","","","","","1.048","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153318","13.141","0.004","8.066","0.002","15.156","0.004","90","","90","","90","","1606.5","0.8","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(E)-2-tert-Butyl-3-methoxy-6-methyl-4-styrylpyridine","(E)-2-tert-Butyl-3-methoxy-6-methyl-4-styrylpyridine","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","1","","Lechel, Tilman; Dash, Jyotirmayee; Eidamshaus, Christian; Brüdgam, Irene; Lentz, Dieter; Reissig, Hans-Ulrich","A three-component synthesis of beta-alkoxy-beta-keto-enamides‒flexible precursors for 4-hydroxypyridine derivatives and their palladium-catalysed reactions.","Organic & biomolecular chemistry","2010","8","13","3007","3014","10.1039/b925468d","","","0.71073","MoKα","","0.0364","0.0324","","","0.0852","0.0882","","","","","","1.034","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153332","15.4263","0.0006","7.5195","0.0003","13.4786","0.0004","90","","90","","90","","1563.49","0.1","296.2","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H16 I N O2 -","- C15 H16 I N O2 -","- C60 H64 I4 N4 O8 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.7107","MoKα","","","0.0512","","","","0.1144","","","","","","1.645","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153345","10.1904","0.0008","17.615","0.0012","9.4373","0.0005","90","","90","","90","","1694","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H25 N3 O5 -","- C13 H25 N3 O5 -","- C52 H100 N12 O20 -","4","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","0.71073","MoKα","","0.087","0.0552","","","0.0931","0.1011","","","","","","0.985","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153402","16.2272","0.0001","9.46594","0.00008","11.59176","0.00007","90","","90","","90","","1780.56","0.02","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H19 Br Si -","- C20 H19 Br Si -","- C80 H76 Br4 Si4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","1.54184","CuKα","","0.0305","0.0305","","","0.0839","0.0839","","","","","","1.088","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153446","16.977","0.003","13.692","0.003","11.959","0.002","90","","90","","90","","2779.9","0.9","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C35 H32 O5 -","- C35 H32 O5 -","- C140 H128 O20 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Babu, Beneesh P.; Varghese, Vimal; Paul, Rony Rajan; Suresh, Eringathodi","NHC-catalysed annulation of enals to tethered dienones: efficient synthesis of bicyclic dienes.","Organic & biomolecular chemistry","2010","8","21","4861","4866","10.1039/c0ob00180e","","","0.71073","MoKα","","0.1054","0.0783","","","0.133","0.143","","","","","","1.071","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153494","17.8305","0.0002","5.3631","0.0001","16.2017","0.0002","90","","90","","90","","1549.32","0.04","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Huo, Yingpeng; Qiu, Xu; Shao, Weiyan; Huang, Jianing; Yu, Yanjun; Zuo, Yinglin; An, Linkun; Du, Jun; Bu, Xianzhang","New fluorescent trans-dihydrofluoren-3-ones from aldol-Robinson annulation-regioselective addition involved one-pot reaction.","Organic & biomolecular chemistry","2010","8","22","5048","5052","10.1039/c0ob00401d","","","1.54178","CuKα","","0.0285","0.0285","","","0.0768","0.0768","","","","","","1.029","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153500","10.9901","0.0007","20.0863","0.0011","14.5576","0.0009","90","","90","","90","","3213.6","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H14 N2 O3 S2 -","- C17 H14 N2 O3 S2 -","- C136 H112 N16 O24 S16 -","8","2","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Rodríguez, Valentín","Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO properties.","Organic & biomolecular chemistry","2010","8","23","5367","5374","10.1039/c0ob00416b","","","0.71073","MoKα","","0.09","0.0788","","","0.2279","0.2382","","","","","","1.067","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153503","11.0794","0.0003","5.2878","0.0001","19.8876","0.0006","90","","90","","90","","1165.13","0.05","293","2","293","2","","","","","","","synthesis as described","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","1","","Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc","Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.","Organic & biomolecular chemistry","2010","8","24","5490","5494","10.1039/c0ob00448k","","x-ray","0.71073","MoKα","","0.051","0.0408","","","0.0865","0.0923","","","","","","1.121","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153546","7.7959","0.0009","20.639","0.003","11.0953","0.0014","90","","90","","90","","1785.2","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Pathak, Rakhi; Vandayar, Kantharuby; van Otterlo, Willem A. L.; Michael, Joseph P.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of angularly fused polyaromatic compounds by using a light-assisted, base-mediated cyclization reaction","Organic & Biomolecular Chemistry","2004","2","23","3504","3509","10.1039/b412932f","","","0.71073","MoKα","","0.0756","0.0464","","","0.1268","0.1415","","","","","","1.031","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153599","13.5728","0.0005","18.3397","0.0007","14.2808","0.0005","90","","90","","90","","3554.8","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0704","0.0523","","","0.1384","0.1551","","","","","","1.009","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153742","16.077","0.002","12.6076","0.0017","37.742","0.005","90","","90","","90","","7650","1.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H47 Cl Fe N4 Pd -","- C41 H47 Cl Fe N4 Pd -","- C328 H376 Cl8 Fe8 N32 Pd8 -","8","2","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0766","0.0525","","","0.1301","0.1462","","","","","","1.049","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153785","11.0128","0.0002","7.8943","0.0002","24.9976","0.0005","90","","90","","90","","2173.25","0.08","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(Diethylphosphino-borane)-1-([2.2]-paracyclophan-4-yl)-1H-1,2,3-triazole","","- C22 H29 B N3 P -","- C22 H29 B N3 P -","- C88 H116 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0509","0.0431","","","0.1136","0.1195","","","","","","1.058","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153946","12.1328","0.0011","13.7151","0.0015","10.0433","0.0007","90","","90","","90","","1671.2","0.3","290","2","290","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H13 Br Cl3 N O2 -","- C13 H13 Br Cl3 N O2 -","- C52 H52 Br4 Cl12 N4 O8 -","4","1","","Zhu, Rui; Yu, Kai; Gu, Zhenhua","N-Bromoacetamide-mediated domino cyclization and elimination of homoallylic trichloroacetimidates: a novel approach toward the synthesis of 1-bromo-2-amino-3-butene derivatives.","Organic & biomolecular chemistry","2014","12","34","6653","6660","10.1039/c4ob01126k","","","1.54184","CuKα","","0.0715","0.0596","","","0.1598","0.1768","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154001","9.5269","0.0006","10.7294","0.0007","17.4823","0.0013","90","","90","","90","","1787","0.2","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.0361","0.0322","","","0.0798","0.0832","","","","","","1.044","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154084","14.234","0.004","4.0143","0.001","22.047","0.005","90","","90","","90","","1259.8","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 Cl O3 -","- C14 H13 Cl O3 -","- C56 H52 Cl4 O12 -","4","1","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.1896","0.0958","","","0.2314","0.3824","","","","","","1.13","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154248","27.834","0.01","8.119","0.003","8.839","0.003","90","","90","","90","","1997.5","1.2","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.0692","","","","0.1792","","","","","","1.124","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154254","9.2888","0.0002","6.043","0.0001","27.8317","0.0006","90","","90","","90","","1562.26","0.05","150","2","150.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0321","0.0309","","","0.082","0.0833","","","","","","1.044","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154255","27.3686","0.0006","6.32664","0.00013","8.74746","0.00017","90","","90","","90","","1514.63","0.05","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0346","0.0343","","","0.0913","0.0915","","","","","","1.035","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154400","7.4859","0.0004","21.3424","0.0016","9.3008","0.0005","90","","90","","90","","1485.96","0.16","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0526","0.0437","","","0.108","0.116","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154416","8.205","0.0005","10.6112","0.0006","10.8283","0.0006","90","","90","","90","","942.76","0.09","293.15","","293.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Wu, Jie; You, Qiulin; Lan, Jingbo; Guo, Qiang; Li, Xiaoyu; Xue, Ying; You, Jingsong","Cu-catalysed direct C-H (hetero)arylation of [1,2,4]triazolo[4,3-a]pyridine to construct deep-blue-emitting luminophores.","Organic & biomolecular chemistry","2015","13","19","5372","5375","10.1039/c5ob00552c","","x-ray","1.54184","CuKα","","0.0475","0.0456","","","0.1161","0.1197","","","","","","1.069","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154491","35.892","0.003","13.475","0.001","34.752","0.003","90","","90","","90","","16808","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","CB7-guest","CB7-guest","","- C60 H98 F6 N30 O36 S2 -","- C60 H66 F6 N30 O35.0695 S2 -","- C480 H528 F48 N240 O280.556 S16 -","8","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.0859","0.0779","","","0.1595","0.1638","","","","","","1.065","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154564","10.919","0.002","21.054","","21.054","0.004","90","","90","","90","","4840.1","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","2","","Huang, Zhimei; Hu, Junhao; Gong, Yuefa","Formation and aromatization of strained bicyclic pyrazolidines via tandem reaction of alkyl 2-aroyl-1-chlorocyclopropanecarboxylates with acylhydrazones.","Organic & biomolecular chemistry","2015","13","31","8561","8566","10.1039/c5ob01199j","","","0.71073","MoKα","","0.0723","0.0392","","","0.0861","0.1016","","","","","","1.011","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154598","13.1515","0.0008","9.4791","0.0004","14.8569","0.0008","90","","90","","90","","1852.13","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3S*,4aR*,8aS*)-8-hydroxy-2-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,4,4a,5-tetrahydroisoquinoline-1,6(2H,8aH)-dione","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Medvedev, J. J.; Meleshina, M. V.; Panikorovskii, T. L.; Schneider, C.; Nikolaev, V. A.","Domino reactions of diazodicarbonyl compounds with α,β-unsaturated δ-amino esters: a convenient way towards 2-oxopiperidines, dihydropyridinones and isoquinolinediones.","Organic & biomolecular chemistry","2015","13","34","9107","9117","10.1039/c5ob01197c","","","0.7107","MoKα","","0.0518","0.0446","","","0.106","0.1129","","","","","","1.064","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154703","16.8761","0.0006","16.8184","0.0006","7.2259","0.0003","90","","90","","90","","2050.92","0.13","304","2","304","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 Cl N O2 S -","- C25 H18 Cl N O2 S -","- C100 H72 Cl4 N4 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0343","0.0291","","","0.0739","0.0774","","","","","","1.05","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154718","10.6388","0.0003","9.0437","0.0003","24.8594","0.0008","90","","90","","90","","2391.83","0.13","99.97","0.1","99.97","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H30 N2 O5 -","- C28 H30 N2 O5 -","- C112 H120 N8 O20 -","4","1","","Marrs, Calum N.; Evans, Nicholas H.","The rapid synthesis and dynamic behaviour of an isophthalamide [2]catenane.","Organic & biomolecular chemistry","2015","13","45","11021","11025","10.1039/c5ob01770j","","x-ray","1.54184","CuKα","","0.0298","0.0288","","","0.0707","0.072","","","","","","1.043","","","","has coordinates","171333","2020-10-21","18:00:00",""
"7154733","11.2256","0.0013","19.596","0.003","7.9601","0.0012","90","","90","","90","","1751","0.4","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H24 O Si -","- C20 H24 O Si -","- C80 H96 O4 Si4 -","4","1","","Rigsbee, E. M.; Zhou, C.; Rasik, C. M.; Spitz, A. Z.; Nichols, A. J.; Brown, M. K.","Lewis acid-promoted [2 + 2] cycloadditions of alkenes with aryl ketenes.","Organic & biomolecular chemistry","2016","14","24","5477","5480","10.1039/c5ob01837d","","","0.71073","MoKα","","0.0418","0.0354","","0.0944","0.0871","0.0944","","","","","","1.0075","","","","has coordinates","183767","2020-10-21","18:00:00",""
"7154824","22.574","0.002","6.3537","0.0008","19.1603","0.0019","90","","90","","90","","2748.1","0.5","125","","125","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H18 F4 O -","- C15 H18 F4 O -","- C120 H144 F32 O8 -","8","2","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1709","0.1577","","","0.3205","0.3507","","","","","","1.547","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154857","21.0057","0.0003","4.0646","0.0001","12.0663","0.0002","90","","90","","90","","1030.22","0.03","200","0.1","200","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N5 S -","- C9 H11 N5 S -","- C36 H44 N20 S4 -","4","1","","Murray, Paul M.; Bellany, Fiona; Benhamou, Laure; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Sheppard, Tom D.","The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.","Organic & biomolecular chemistry","2016","14","8","2373","2384","10.1039/c5ob01892g","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0674","0.0684","","","","","","1.063","","","","has coordinates","177919","2020-10-21","18:00:00",""
"7155040","27.5444","0.0014","4.0773","0.0004","26.9996","0.0014","90","","90","","90","","3032.2","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H16 Br N3 O4 -","- C15 H16 Br N3 O4 -","- C120 H128 Br8 N24 O32 -","8","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.6889","synchrotron","","0.0716","0.0638","","","0.152","0.158","","","","","","1.076","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155052","13.301","0.003","13.892","0.004","6.7933","0.0016","90","","90","","90","","1255.2","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0465","0.0363","","","0.0794","0.0825","","","","","","0.918","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155241","11.2287","0.0003","21.5577","0.0006","7.6682","0.0002","90","","90","","90","","1856.2","0.09","115","2","115","2","","","","","","","","2","P c a 21","P 2c -2ac","29","naphtho[1,2-i]pentahelicene","napthto[1,2-s]picene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","","0.71073","MoKα","","0.0385","0.0344","","","0.0842","0.0867","","","","","","1.052","","","","has coordinates","186482","2020-10-21","18:00:00",""
"7155426","24.4406","0.0008","4.3182","0.0002","11.0826","0.0004","90","","90","","90","","1169.65","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Deng, Zhongfu; Peng, Xiangjun; Huang, Panpan; Jiang, Lili; Ye, Dongnai; Liu, Liangxian","A multifunctionalized strategy of indoles to C2-quaternary indolin-3-ones via a TEMPO/Pd-catalyzed cascade process.","Organic & biomolecular chemistry","2017","15","2","442","448","10.1039/c6ob02285e","","","0.71073","MoKα","","0.1002","0.0397","","","0.0557","0.0649","","","","","","0.831","","","","has coordinates","189873","2020-10-21","18:00:00",""
"7155441","19.17","0.003","5.9569","0.001","7.7612","0.0014","90","","90","","90","","886.3","0.3","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","0.71073","MoKα","","0.0344","0.031","","","0.0796","0.0818","","","","","","1.054","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155758","17.132","0.003","13.827","0.003","5.5861","0.0011","90","","90","","90","","1323.3","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Zubkov, Fedor Ivanovich; Kvyatkovskaya, Elizaveta Alexandrovna; Nikitina, Eugeniya V.; Amoyaw, Prince; Kouznetsov, Vladimir; Lazarenko , Vladimir; Khrustalev, Victor N.","Comment on ""An unexpected formation of the novel 7-oxa-2azabicyclo[2.2.1]hept-5-ene skeleton during the reaction of furfurylamine with maleimides and their bioprospection using a zebrafish embryo model"" by C. E. Puerto Galvis and V. V. Kouznetsov, Org. Biomol. Chem., 2013, 11, 407","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01207A","","","0.9699","synchrotron","","0.127","0.089","","","0.207","0.23","","","","","","1.038","","","","has coordinates,has disorder","198621","2020-10-21","18:00:00",""
"7155759","17.231","0.003","14.729","0.003","5.6114","0.0011","90","","90","","90","","1424.1","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Zubkov, Fedor Ivanovich; Kvyatkovskaya, Elizaveta Alexandrovna; Nikitina, Eugeniya V.; Amoyaw, Prince; Kouznetsov, Vladimir; Lazarenko , Vladimir; Khrustalev, Victor N.","Comment on ""An unexpected formation of the novel 7-oxa-2azabicyclo[2.2.1]hept-5-ene skeleton during the reaction of furfurylamine with maleimides and their bioprospection using a zebrafish embryo model"" by C. E. Puerto Galvis and V. V. Kouznetsov, Org. Biomol. Chem., 2013, 11, 407","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01207A","","","0.9699","synchrotron","","0.1411","0.0792","","","0.1694","0.1934","","","","","","1.008","","","","has coordinates","198621","2020-10-21","18:00:00",""
"7155804","17.208","0.0008","5.9717","0.0002","9.2902","0.0004","90","","90","","90","","954.67","0.07","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","glyzide diazaborine","","- C9 H10 B N3 O2 -","- C9 H10 B N3 O2 -","- C36 H40 B4 N12 O8 -","4","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","1.54178","CuKα","","0.0842","0.0747","","","0.1696","0.1781","","","","","","1.073","","","","has coordinates","199662","2020-10-21","18:00:00",""
"7155939","18.9625","0.001","8.7607","0.0005","19.5836","0.001","90","","90","","90","","3253.3","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C160 H120 N24 O16 -","8","2","","Li, Wenjun; Yuan, Huijun; Gao, Hua; Liu, Kun; Liu, Zhantao; Wang, Jian","Cycloadduct formation of α,β-unsaturated ester with azide catalyzed by NHC systems","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02469J","","","0.71073","MoKα","","0.125","0.1052","","","0.2594","0.2808","","","","","","1.077","","","","has coordinates","202266","2020-10-21","18:00:00",""
"7156265","40.319","0.005","8.136","0.005","8.974","0.005","90","0.005","90","0.005","90","0.005","2944","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H26 Br2 Cl0 N4 O2 Pd -","- C30 H26 Br2 N4 O2 Pd -","- C120 H104 Br8 N16 O8 Pd4 -","4","1","","Panyam, Pradeep Kumar Reddy; Sreedharan, Ramdas; Gandhi, Thirumanavelan","Synthesis of topologically constrained naphthalimide appended palladium(ii)-N-heterocyclic carbene complexes - insights into additive controlled product selectivity.","Organic & biomolecular chemistry","2018","16","23","4357","4364","10.1039/c8ob00616d","","","0.71073","MoKα","","0.0421","0.0342","","","0.0708","0.0738","","","","","","1.075","","","","has coordinates","230831","2020-10-21","18:00:00",""
"7156527","16.0174","0.0011","15.9817","0.001","7.3482","0.0006","90","","90","","90","","1881","0.2","106","2","106","2","","","","","","","","5","P c a 21","P 2c -2ac","29","KH-114","","","- C21 H18 Cl2 O3 S -","- C21 H18 Cl2 O3 S -","- C84 H72 Cl8 O12 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.041","0.0374","","","0.0814","0.0829","","","","","","1.156","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156700","20.301","0.001","8.1121","0.0004","34.9928","0.0017","90","","90","","90","","5762.7","0.5","150","2","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H43 N O6 Si2 -","- C24 H43 N O6 Si2 -","- C192 H344 N8 O48 Si16 -","8","2","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0819","0.0731","","","0.1834","0.1922","","","","","","1.088","","","","has coordinates","225300","2020-10-21","18:00:00",""
"7156765","16.7044","0.0015","4.7039","0.0004","18.5969","0.0017","90","","90","","90","","1461.3","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C76 H56 N8 O12 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0444","0.0391","","","0.0962","0.1007","","","","","","1.012","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156800","20.4023","0.0013","16.0765","0.0013","11.2547","0.0007","90","","90","","90","","3691.5","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 N2 O0.07 -","- C13.1429 H9.71429 N1.71429 O0.571429 -","- C184 H136 N24 O8 -","14","3.5","","Bakthadoss, Manickam; Raman, Selvakumar; Mushaf, Mohammad","A rearrangement involving a solid-state melt reaction for the synthesis of multifunctional tetrasubstituted olefins.","Organic & biomolecular chemistry","2019","17","19","4767","4773","10.1039/c9ob00639g","","x-ray","0.71073","MoKα","","0.0945","0.0495","","","0.0987","0.1219","","","","","","1.025","","","","has coordinates","225153","2020-10-21","18:00:00",""
"7156877","12.8593","0.0008","14.1412","0.001","6.7109","0.0005","90","","90","","90","","1220.35","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Li, Ping-Gui; Zhu, Hao; Fan, Min; Yan, Cheng; Shi, Kai; Chi, Xi-Wen; Zou, Liang-Hua","Copper-catalyzed coupling of anthranils and α-keto acids: direct synthesis of α-ketoamides.","Organic & biomolecular chemistry","2019","17","24","5902","5907","10.1039/c9ob00822e","","","0.71073","MoKα","","0.0343","0.031","","","0.0792","0.0812","","","","","","1.097","","","","has coordinates","225037","2020-10-21","18:00:00",""
"7156878","11.3174","0.0002","13.2547","0.0003","7.8913","0.0002","90","","90","","90","","1183.76","0.05","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H16 B N O4 -","- C12 H16 B N O4 -","- C48 H64 B4 N4 O16 -","4","1","","Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin","Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.","Organic & biomolecular chemistry","2019","17","24","5908","5912","10.1039/c9ob00726a","","","1.54178","CuKα","","0.0287","0.0276","","","0.0729","0.074","","","","","","1.066","","","","has coordinates","225036","2020-10-21","18:00:00",""
"7157194","29.0281","0.001","11.0265","0.0003","12.8199","0.0004","90","","90","","90","","4103.4","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24.5 H18 Br Cl N2 O -","- C24.5 H18 Br Cl N2 O -","- C196 H144 Br8 Cl8 N16 O8 -","8","2","","Song, Bo; Wang, Mengdan; Xu, Murong; Kong, Lingkai; Xie, Huihui; Wang, Cheng-Yu; LI, Yanzhong","Controllable Synthesis of Pyrido[2,3-b]indol-4-ones or Indolo[3,2-b]quinolines via Formal Intramolecular C(sp2)-H Functionalization","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02108F","","","0.71073","MoKα","","0.0431","0.0355","","","0.0744","0.0783","","","","","","1.022","","","","has coordinates","225683","2020-10-21","18:00:00",""
"7157315","18.4757","0.0012","9.7925","0.0005","18.6956","0.0013","90","","90","","90","","3382.5","0.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","4-IODO-1-(4-METHOXYPHENYL)-2-(4-NITROPHENYL)-1H-PYRROLE-3-CARBADEHYDE","","- C17 H10 Cl I N2 O3 S0 -","- C17 H10 Cl I N2 O3 -","- C136 H80 Cl8 I8 N16 O24 -","8","2","","Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh","Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.","Organic & biomolecular chemistry","2020","18","6","1155","1164","10.1039/c9ob02501d","","","0.71073","MoKα","","0.0804","0.0452","","","0.0987","0.1215","","","","","","1.029","","","","has coordinates","249036","2020-10-21","18:00:00",""
"7157338","17.739","0.0004","10.70121","0.00019","33.541","0.0007","90","","90","","90","","6367","0.2","172.99","0.1","172.99","0.1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C272 H296 B8 Co8 F32 N16 P8 S8 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0742","0.0608","","","0.147","0.1681","","","","","","1.145","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157345","20.236","0.012","5.793","0.003","14.906","0.008","90","","90","","90","","1747.4","1.7","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar","I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.","Organic & biomolecular chemistry","2020","18","8","1588","1593","10.1039/c9ob02711d","","","0.71073","MoKα","","0.0556","0.0472","","","0.1115","0.1172","","","","","","1.011","","","","has coordinates","249023","2020-10-21","18:00:00",""
"7157379","27.747","0.003","9.3839","0.0009","7.7982","0.0008","90","","90","","90","","2030.5","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H20 B F6 N3 O -","- C21 H20 B F6 N3 O -","- C84 H80 B4 F24 N12 O4 -","4","1","","Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno","Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.","Organic & biomolecular chemistry","2020","18","13","2416","2431","10.1039/d0ob00188k","","","0.71073","MoKα","","0.0649","0.0498","","","0.0861","0.0895","","","","","","1.028","","","","has coordinates","250366","2020-10-21","18:00:00",""
"7157452","21.9993","0.0004","12.5762","0.0003","13.8028","0.0003","90","","90","","90","","3818.79","0.14","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C200 H144 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0521","0.0422","","","0.1094","0.1193","","","","","","1.022","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157454","21.9897","0.0006","12.2777","0.0003","13.5508","0.0004","90","","90","","90","","3658.48","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H15 F O3 -","- C24 H15 F O3 -","- C192 H120 F8 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0573","0.0421","","","0.1018","0.1161","","","","","","1.021","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157465","11.5618","0.0005","20.0595","0.001","20.7439","0.001","90","","90","","90","","4811","0.4","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 N4 O2 S -","- C26 H22 N4 O2 S -","- C104 H88 N16 O8 S4 -","4","1","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping","KI/TBHP-promoted [3 + 2] cycloaddition of pyrrolo[1,2-a]quinoxalines and N-arylsulfonylhydrazones.","Organic & biomolecular chemistry","2020","18","17","3360","3366","10.1039/d0ob00494d","","","0.71073","MoKα","","0.1026","0.0924","","","0.2486","0.2593","","","","","","1.096","","","","has coordinates","252909","2020-10-21","18:00:00",""
"7157645","9.621","0.002","8.003","0.002","33.196","0.009","90","","90","","90","","2556","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H32 N4 O8 -","- C24 H32 N4 O8 -","- C96 H128 N16 O32 -","4","1","","Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal","Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.","Organic & biomolecular chemistry","2020","18","33","6564","6570","10.1039/d0ob01514h","","","0.71073","MoKα","","0.093","0.0603","","","0.1467","0.1688","","","","","","1.08","","","","has coordinates","256170","2020-10-21","18:00:00",""
"7157975","20.0555","0.001","7.4291","0.0005","23.0509","0.0012","90","","90","","90","","3434.5","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 I N2 O3 -","- C19 H15 I N2 O3 -","- C152 H120 I8 N16 O24 -","8","2","","Qiu, Shaotong; Cao, Tongxiang; Zhu, Shifa","Catalyst-free synthesis of isoxazolidine from nitrosoarene and haloalkyne via a 1,2-halo-migration/[3 + 2] cycloaddition cascade.","Organic & biomolecular chemistry","2021","19","14","3139","3143","10.1039/d1ob00421b","","x-ray","0.71073","MoKα","","0.0404","0.033","","","0.0638","0.0678","","","","","","1.026","","","","has coordinates","264952","2021-05-05","09:04:02",""
"7158003","9.7336","0.0005","9.4426","0.0005","12.9051","0.0008","90","","90","","90","","1186.11","0.11","173","2","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H11 Br Cl N O -","- C11 H11 Br Cl N O -","- C44 H44 Br4 Cl4 N4 O4 -","4","1","","Hu, Yuanyuan; Wang, Zhen; Luo, Honggen; Jin, Hongwei; Liu, Yunkui; Zhou, Bingwei","NHC-catalyzed Truce-Smiles rearrangement of <i>N</i>-aryl methacrylamides for the synthesis of <i>trans</i>-cinnamides.","Organic & biomolecular chemistry","2021","19","17","3834","3837","10.1039/d1ob00443c","","","1.34139","GaKα","","0.0283","0.0278","","","0.0697","0.0702","","","","","","1.044","","","","has coordinates","266153","2021-06-05","19:26:27",""
"7158050","29.7448","0.0012","10.3503","0.0004","31.5033","0.0013","90","","90","","90","","9698.8","0.7","100.15","","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H20 F20 O4 Sb2 -","- C58 H20 F20 O4 Sb2 -","- C464 H160 F160 O32 Sb16 -","8","2","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.036","0.03","","","0.0728","0.0749","","","","","","1.156","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158132","24.406","0.002","5.0265","0.0004","9.4136","0.0008","90","","90","","90","","1154.83","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Shelar, Santosh V.; Argade, Narshinha P.","Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.","Organic & biomolecular chemistry","2021","19","27","6160","6169","10.1039/d1ob00754h","","","0.71073","MoKα","","0.039","0.0358","","","0.096","0.106","","","","","","1.193","","","","has coordinates","268916","2021-09-06","12:23:57",""
"7158499","31.87","0.03","5.876","0.008","8.328","0.008","90","","90","","90","","1560","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(Z)-4-fluoro-2-isobutyl-5-phtalimidopent-3-en-1-oic acid","","- C17 H18 F N O4 -","- C17 H18 F N O4 -","- C68 H72 F4 N4 O16 -","4","1","","Larnaud, Florent; Calata, Charlène; Prunier, Anaïs; Le Guen, Clothilde; Legay, Rémi; Pfund, Emmanuel; Lequeux, Thierry","Convergent access to mono-fluoroalkene-based peptidomimetics.","Organic & biomolecular chemistry","2022","20","6","1205","1218","10.1039/d1ob02441h","","","0.71073","MoKα","","0.0358","0.0323","","","0.0767","0.0781","","","","","","1.037","","","","has coordinates","273417","2022-03-04","22:23:49",""
"7158512","8.25955","0.00008","10.43795","0.00009","22.5124","0.0002","90","","90","","90","","1940.86","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Wan, Qiuling; Xin, Luoting; Zhang, Jian; Huang, Xueliang","Efficient access to 1,3,4-trisubstituted pyrroles <i>via</i> gold-catalysed cycloisomerization of 1,5-diynes.","Organic & biomolecular chemistry","2022","20","8","1647","1651","10.1039/d1ob02393d","","","1.3415","GaKα","","0.0222","0.0221","","","0.0611","0.0611","","","","","","1.048","","","","has coordinates","273410","2022-03-04","22:22:46",""
"7158547","29.9557","0.001","7.3668","0.0002","8.1504","0.0003","90","","90","","90","","1798.61","0.1","199.99","0.1","199.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02432A","","x-ray","1.54184","CuKα","","0.04","0.0355","","","0.0915","0.0943","","","","","","1.072","","","","has coordinates","273316","2022-03-04","01:42:18",""
"7158596","9.4017","0.0003","18.1121","0.0005","18.3977","0.0005","90","","90","","90","","3132.84","0.16","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H24 Br N3 O7 -","- C30 H24 Br N3 O7 -","- C120 H96 Br4 N12 O28 -","4","1","","Gu, Congzheng; Tian, Guangzheng; Yin, Qingyu; Wu, Fan; Li, Zhiming; Wu, Xiaoyu","Amide phosphonium salt catalyzed enantioselective Mannich addition of isoxazole-based nucleophiles to β,γ-alkynyl-α-ketimino esters.","Organic & biomolecular chemistry","2022","20","16","3323","3334","10.1039/d2ob00309k","","","1.54178","CuKα","","0.0606","0.06","","","0.1568","0.1578","","","","","","1.127","","","","has coordinates","275065","2022-05-05","20:55:21",""
"7158831","15.5816","0.0004","9.3605","0.0002","31.6875","0.0008","90","","90","","90","","4621.67","0.19","173","2","173","2","","","","","","","no","4","P c a 21","P 2c -2ac","29","(OMe)2PhTripCl3","PhenylTriptyceneDeriv.","","- C28 H19 Cl3 O2 -","- C28 H19 Cl3 O2 -","- C224 H152 Cl24 O16 -","8","2","","Inami, Hazuki; Inagaki, Yusuke; Setaka, Wataru","Design of Rotational Potential in Phenyltriptycene Molecular Rotor by Exploiting CH/π-Interaction between Tripticil Hydrogen and Phenyl","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01179D","","","1.54178","CuKα","","0.0638","0.06","","","0.1566","0.159","","","","","","1.09","","","","has coordinates,has disorder","277341","2022-08-21","00:16:59",""
"7159180","23.313","0.013","7.937","0.004","21.274","0.012","90","","90","","90","","3936","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H19 Cl O4 S -","- C20 H19 Cl O4 S -","- C160 H152 Cl8 O32 S8 -","8","2","","Chen, Liying; Di, Huiming; Liu, Jian; Zhang, Jinfeng; Wang, Bingfu; Jin, Hui; Zhang, Lixin","Access to functionalized 2-pyrones through cascade reactions of α-halothioesters involving DBU-derived ammonium ylides.","Organic & biomolecular chemistry","2023","21","18","3756","3760","10.1039/d3ob00042g","","","0.71073","MoKα","","0.273","0.1163","","","0.179","0.2261","","","","","","1.047","","","","has coordinates","284326","2023-06-05","04:56:38",""
"7159439","22.3743","0.0007","5.3342","0.0002","13.0665","0.0004","90","","90","","90","","1559.47","0.09","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.","A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.","Organic & biomolecular chemistry","2023","21","27","5542","5546","10.1039/d3ob00804e","","","0.71073","MoKα","","0.052","0.0433","","","0.1005","0.105","","","","","","1.048","","","","has coordinates","285510","2023-08-05","09:31:00",""
"7159915","22.02359","0.00016","9.06591","0.00006","18.14329","0.0001","90","","90","","90","","3622.56","0.04","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H40 B Cu F2 O2 P2 -","- C40 H40 B Cu F2 O2 P2 -","- C160 H160 B4 Cu4 F8 O8 P8 -","4","1","","Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai","New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00291A","","","1.54184","CuKα","","0.0278","0.0275","","","0.0738","0.0741","","","","","","1.032","","","","has coordinates","291331","2024-04-23","01:13:30",""
"7159918","20.5567","0.0002","11.19093","0.00014","9.50595","0.00012","90","","90","","90","","2186.83","0.04","100","0.1","100","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H18 Cl F O3 S -","- C28 H18 Cl F O3 S -","- C112 H72 Cl4 F4 O12 S4 -","4","1","","Roy, Barnali; Kuila, Puspendu; Jha, Sangam; Sarkar, Debayan","BF3·Et2O Assisted Synthesis of Sulfinylated Spiro[5.5]trienones from Biaryl ynones","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D3OB02010J","","x-ray","1.54184","CuKα","","0.0447","0.0435","","","0.1241","0.1261","","","","","","1.0452","","","","has coordinates","291361","2024-04-26","00:32:43",""
"7200885","17.757","0.002","15.0645","0.0019","25.115","0.003","90","","90","","90","","6718.3","1.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","((AgL1)(AgCF3CO2)4(H2O)(CH3CH2CN))2","","","- C40 H26 Ag10 F24 I2 N2 O20 -","- C40 H26 Ag10 F24 I2 N2 O20 -","- C160 H104 Ag40 F96 I8 N8 O80 -","4","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0622","0.0442","","","0.1084","0.115","","","","","","1.02","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200887","17.284","0.003","15.081","0.002","24.44","0.004","90","","90","","90","","6370.5","1.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","((AgL2)(AgCF3CO2)4(H2O)(CH3CN))2","","","- C38 H22 Ag10 Br2 F24 N2 O20 -","- C38 H22 Ag10 Br2 F24 N2 O20 -","- C152 H88 Ag40 Br8 F96 N8 O80 -","4","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0912","0.0433","","","0.0924","0.1164","","","","","","1.014","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200943","24.509","0.006","9.835","0.002","7.5626","0.0019","90","","90","","90","","1822.9","0.7","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H14 Br Cl La N3 O6 -","- C14 H14 Br Cl La N3 O6 -","- C56 H56 Br4 Cl4 La4 N12 O24 -","4","1","","Chen, Wen-Xian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Ionothermal synthesis of 3d‒4f and 4f layered anionic metal‒organic frameworks","CrystEngComm","2009","11","8","1522","","10.1039/b901404g","","","0.71073","MoKα","","0.0627","0.0546","","","0.1328","0.138","","","","","","1.1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201513","13.8232","0.0019","6.1326","0.0008","26.176","0.004","90","","90","","90","","2219","0.5","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Phenylcyclohexanecarboxamide","","- C13 H17 N O -","- C13 H17 N O -","- C104 H136 N8 O8 -","8","2","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0567","0.0434","","","0.1058","0.1126","","","","","","1.038","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201555","24.66","0.005","5.2031","0.0012","8.244","0.0018","90","","90","","90","","1057.8","0.4","290","2","290","2","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.1259","0.0853","","","0.1356","0.1494","","","","","","1.148","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201777","12.6319","0.0015","9.5554","0.0014","11.0036","0.0022","90","","90","","90","","1328.2","0.4","293","","","","4780000","","","","","","","4","P c a 21","P 2c -2ac","29","cyclotrimethylene-trinitramine","cyclotrimethylene-trinitramine","","- C3 D6 N6 O6 -","- C3 D6 N6 O6 -","- C24 D48 N48 O48 -","8","2","","Davidson, Alistair J.; Oswald, Iain D. H.; Francis, Duncan J.; Lennie, Alistair R.; Marshall, William G.; Millar, David I. A.; Pulham, Colin R.; Warren, John E.; Cumming, Adam S.","Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction","CrystEngComm","2008","10","2","162","","10.1039/b715677b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201778","12.565","0.0019","9.4769","0.0006","10.9297","0.0009","90","","90","","90","","1301.5","0.2","293","","293","","","","5200000","","","","","4","P c a 21","P 2c -2ac","29","","cyclotrimethylene-trinitramine","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","2","","Davidson, Alistair J.; Oswald, Iain D. H.; Francis, Duncan J.; Lennie, Alistair R.; Marshall, William G.; Millar, David I. A.; Pulham, Colin R.; Warren, John E.; Cumming, Adam S.","Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction","CrystEngComm","2008","10","2","162","","10.1039/b715677b","","","0.671","Synchrotron","","0.0893","0.0717","","0.1809","0.1723","0.1809","","","","","","0.8652","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201960","7.4412","0.0016","6.3884","0.0013","12.68","0.003","90","","90","","90","","602.8","0.2","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H4 Ag N3 O2 -","- C4 H4 Ag N3 O2 -","- C16 H16 Ag4 N12 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0207","0.018","","","0.0379","0.0389","","","","","","1.113","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7202397","28.635","0.003","11.1436","0.0012","17.0423","0.0018","90","","90","","90","","5438.1","1","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H22.55 N4 O6.255 S Zn -","- C28 H22 N4 O6.255 S Zn -","- C224 H176 N32 O50.04 S8 Zn8 -","8","2","","Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming","Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties","CrystEngComm","2008","10","11","1527","","10.1039/b811498f","","","0.71073","MoKα","","0.0881","0.0504","","","0.0936","0.1044","","","","","","1.007","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202530","5.427","0.0018","16.6584","0.0017","5.4282","0.0017","90","","90","","90","","490.7","0.2","295","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Bi2NbO5F","","- Bi2 Nb O6 -","- Bi2 Nb O6 -","- Bi8 Nb4 O24 -","4","1","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202553","17.93","0.004","3.938","0.001","25.723","0.006","90","","90","","90","","1816.3","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","bis(N-(3-pyridyl)acetamide) fumaric acid","bis[N-(3-pyridyl)acetamide] fumaric acid","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.114","0.0861","","","0.2101","0.2264","","","","","","1.11","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202765","43.6174","0.0015","5.9652","0.0002","7.4612","0.0003","90","","90","","90","","1941.3","0.12","90","1","90","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.1055","0.0508","","","0.0946","0.1136","","","","","","0.955","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202794","7.5615","0.0006","9.542","0.0008","19.8392","0.0016","90","","90","","90","","1431.4","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 Cl4 N2 -","- C12 H12 Cl4 N2 -","- C48 H48 Cl16 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0684","0.0344","","","0.0643","0.0935","","","","","","0.892","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202795","7.5938","0.0002","9.5918","0.0003","20.0837","0.0007","90","","90","","90","","1462.86","0.08","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C56 H72 Cl8 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0243","0.0209","","","0.05","0.0505","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202855","16.5938","0.0007","15.1034","0.0006","18.0112","0.0004","90","","90","","90","","4514","0.3","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H44 Cu N4 O27 U2 -","- C32 H36 Cu N4 O27 U2 -","- C128 H144 Cu4 N16 O108 U8 -","4","1","","Pierre Thuéry","Uranyl citrate dimers as guests in a copper?bipyridine framework: a novel heterometallic inorganic?organic hybrid compound","CrystEngComm","2007","9","5","358","","10.1039/b703227g","","","0.71073","MoKα","","0.0537","0.0472","","","0.1201","0.1232","","","","","","1.086","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7203058","22.1885","0.0013","5.6567","0.0005","14.0833","0.0009","90","","90","","90","","1767.6","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C72 H64 O16 S8 -","8","2","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0554","0.0371","","","0.0888","0.1066","","","","","","1.153","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203134","23.4804","0.0013","11.7367","0.0007","7.365","0.0004","90","","90","","90","","2029.7","0.2","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,4,6-Tris(benzyloxy)-1,3,5-triazine","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Srinivas, K.; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash, K.; Ravikumar, K.","NLO Activity in some non-conjugated 3D triazine derivatives: a non-centrosymmetric crystal through conformational flexibility","Journal of Materials Chemistry","2006","16","5","496","","10.1039/b512362c","","","0.71073","MoKα","","0.0529","0.0483","","","0.115","0.1177","","","","","","1.139","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203226","15.952","0.004","17.98","0.004","6.0391","0.0014","90","","90","","90","","1732.1","0.7","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 F N O -","- C22 H17 F N O -","- C88 H68 F4 N4 O4 -","4","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1171","0.0842","","","0.2209","0.2455","","","","","","0.982","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203566","18.499","0.009","8.626","0.008","19.255","0.009","90","","90","","90","","3073","4","230","","230","0.2","","","","","","","see text","6","P c a 21","P 2c -2ac","29","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","","- C8 H11 F6 N3 O4 S2 -","- C8 H11 F6 N3 O4 S2 -","- C64 H88 F48 N24 O32 S16 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.1465","0.0823","","","0.1936","0.2225","","","","","","0.948","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203662","10.6084","0.0004","11.3449","0.0005","10.0582","0.0004","90","","90","","90","","1210.52","0.09","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0395","0.0381","","","0.0986","0.0995","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203681","10.0229","0.0002","5.958","0.0001","34.9009","0.0006","90","","90","","90","","2084.16","0.07","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H9 Cd O6 P -","- C8 Cd O6 P -","- C64 Cd8 O48 P8 -","8","2","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.0728","0.0476","","","0.1371","0.1519","","","","","","1.116","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203684","9.8261","0.0001","5.8393","0.0001","35.252","0.0004","90","","90","","90","","2022.67","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H9 Mn O6 P -","- C8 Mn O6 P -","- C64 Mn8 O48 P8 -","8","2","","Stock, Norbert; Bein, Thomas","High-throughput investigation of metal carboxyarylphosphonate hybrid compounds","Journal of Materials Chemistry","2005","15","13","1384","","10.1039/b413318h","","","0.71073","MoKα","","0.1063","0.0736","","","0.205","0.2288","","","","","","1.107","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7204013","28.31","0.01","6.612","0.002","7.474","0.002","90","","90","","90","","1399","0.8","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.2874","0.0719","","0.4079","0.1218","","","","1.008","1.247","1.247","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204014","26.099","0.005","6.637","0.002","7.555","0.002","90","","90","","90","","1308.7","0.6","167","2","167","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.1519","0.0592","","0.1637","0.1082","","","","1.021","1.205","1.205","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204015","26.285","0.005","6.647","0.001","7.631","0.002","90","","90","","90","","1333.3","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.1729","0.0736","","0.2592","0.1673","","","","1.068","1.238","1.238","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204016","28.158","0.006","6.584","0.002","7.395","0.001","90","","90","","90","","1371","0.5","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.1084","0.0513","","0.1535","0.1184","","","","1.022","1.073","1.073","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204149","21.812","0.001","9.8235","0.0004","19.7739","0.0008","90","","90","","90","","4237","0.3","123.2","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H26 N4 -","- C26 H26 N4 -","- C208 H208 N32 -","8","2","","Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi","Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1798","","10.1039/b103269k","","","0.7107","MoKα","","","0.0512","","","","0.0623","","","","","","1.499","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204169","16.598","0.002","11.127","0.0012","24.24","0.003","90","","90","","90","","4476.8","0.9","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21.5 H29 B2 N2 O2.5 -","- C21.5 H29 B2 N2 O2.5 -","- C172 H232 B16 N16 O20 -","8","2","","Ashton, Peter R.; Harris, Kenneth D. M.; Kariuki, Benson M.; Philp, Douglas; Robinson, James M. A.; Spencer, Neil","A borazaaromatic analogue of isophthalic acid","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2166","","10.1039/b104794a","","","0.71069","MoKα","","0.0601","0.0562","","0.1337","0.128","","","","1.108","1.11","1.11","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204206","16.8349","0.0003","9.6773","0.0002","32.7691","0.0006","90","","90","","90","","5338.62","0.18","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C16 H38 Al10 F2 N4 O40 P10 -","- C16 H38 Al10 F2 N4 O40 P10 -","- C64 H152 Al40 F8 N16 O160 P40 -","4","1","","Wheatley, Paul S.; Love, Christopher J.; Morrison, John J.; Shannon, Ian J.; Morris, Russell E.","Synthesis of two new aluminophosphate based layered materials using Tet-A as a structure-directing agent","Journal of Materials Chemistry","2002","12","3","477","","10.1039/b106005h","","","0.6887","MonochromatedX-raysynchrotronradiation","","0.1262","0.1035","","","0.2858","0.2959","","","","","","1.029","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204253","20.714","0.001","6.033","0.001","21.606","0.001","90","","90","0.5","90","","2700","0.5","299.2","","299.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C112 H184 N8 O16 -","8","2","","Christine E. Elliott; David O. Miller; D. Jean Burnell","Synthesis of 6-alkyl analogues of the 1-azabicyclo[4.3.0]nonan-2-one system by a strategy of geminal acylation and Beckmann rearrangement","J. Chem. Soc., Perkin Trans. 1","2002","","2","217","226","10.1039/b108164k","","","1.5418","CuKα","","0.1332","0.094","","0.111","","0.108","","","3.464","","","4.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204255","18.996","0.002","8.413","0.003","6.982","0.002","90","","90","","90","","1115.8","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","J. Stephen Clark; Paul B. Hodgson; Michael D. Goldsmith; Alexander J. Blake; Paul A. Cooke; Leslie J. Street","Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines","J. Chem. Soc., Perkin Trans. 1","2001","","24","3325","3337","10.1039/b108182a","","","1.5418","CuKα","","0.0643","0.0541","","","0.1345","0.141","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204279","12.666","0.004","21.383","0.009","7.351","0.001","90","","90","","90","","1990.9","1.1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H20 S2 -","- C25.06 H17 S1.933 -","- C100.24 H68 S7.732 -","4","1","","Destri, Silvia; Pasini, Mariacecilia; Botta, Chiara; Porzio, William; Bertini, Fabio; Marchiò, Luciano","Synthesis and crystal structure and optical properties of fluorenic-core oligomers","Journal of Materials Chemistry","2002","12","4","924","","10.1039/b109089p","","","0.71073","MoKα","","0.1655","0.0609","","0.1924","","0.1607","","","1.146","1.376","1.376","","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204555","17.17","0.006","14.26","0.004","24.02","0.008","90","","90","","90","","5881","3","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H40 N2 O3 -","- C32 H40 N2 O3 -","- C256 H320 N16 O24 -","8","2","","Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Monohelical self-assembly of 5-alkoxyisophthalamides","CrystEngComm","2003","5","6","38","","10.1039/b210303f","","","0.71073","MoKα","","0.1395","0.0597","","","0.1208","0.1378","","","","","","1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204852","10.4381","0.0004","9.0183","0.0003","48.0553","0.0016","90","","90","","90","","4523.6","0.3","140","2","140","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C216 H120 Cl24 O24 -","8","2","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.1046","0.0816","","","0.1647","0.174","","","","","","1.089","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7205251","24.82","0.002","13.4888","0.0009","7.3141","0.0005","90","","90","","90","","2448.7","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H18 Mn N5 O9.5 -","- C24 H15 Mn N5 O9.5 -","- C96 H60 Mn4 N20 O38 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.0627","0.0489","","","0.1071","0.1147","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205558","20.112","0.0007","8.292","0.0003","17.3925","0.0006","90","","90","","90","","2900.52","0.18","300","","300","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C36 H24 N4 O4 Zr -","- C36 H24 N4 O4 Zr -","- C144 H96 N16 O16 Zr4 -","4","1","","Kathirgamanathan, Poopathy; Surendrakumar, Sivagnanasundram; Antipan-Lara, Juan; Ravichandran, Seenivasagam; Reddy, Vanga R.; Ganeshamurugan, Subramaniam; Kumaraverl, Muttulingam; Arkley, Vincent; Blake, Alexander J.; Bailey, Daniel","Discovery of two new phases of zirconium tetrakis(8-hydroxyquinolinolate): synthesis, crystal structure and their electron transporting characteristics in organic light emitting diodes (OLEDs)","Journal of Materials Chemistry","2011","21","6","1762","","10.1039/c0jm02644a","","x-ray","0.71073","MoKα","","0.0307","0.0253","","","0.0596","0.0616","","","","","","0.99","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7206380","7.36124","0.00011","14.41068","0.00019","11.21075","0.00016","90","","90","","90","","1189.24","0.03","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Cl_NopM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0297","0.026","","","0.0639","0.0652","","","","","","0.983","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206817","26.6496","0.0005","11.4204","0.0002","17.5511","0.0003","90","","90","","90","","5341.66","0.16","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H24 Co2 N4 O8 -","- C37 H24 Co2 N4 O8 -","- C148 H96 Co8 N16 O32 -","4","1","","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","","","1.54184","CuKα","","0.0508","0.0355","","","0.0713","0.0756","","","","","","1.002","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206854","13.5463","0.0015","6.6022","0.0007","8.3418","0.0009","90","","90","","90","","746.05","0.14","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H3 N2 O5 U -","- C5 H3 N2 O5 U -","- C20 H12 N8 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0176","0.0142","","","0.028","0.0289","","","","","","1.042","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206946","12.3381","0.001","4.7318","0.0003","32.877","0.003","90","","90","","90","","1919.4","0.3","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.0753","0.0568","","","0.1447","0.1581","","","","","","1.038","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207354","13.86","0.004","15.78","0.003","13.325","0.003","90","","90","","90","","2914.3","1.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H18 Cd2 N8 O8 -","- C30 H18 Cd2 N8 O8 -","- C120 H72 Cd8 N32 O32 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0682","0.0406","","","0.0545","0.0616","","","","","","0.964","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207767","9.7596","0.0003","15.686","0.0005","16.853","0.0005","90","","90","","90","","2580.01","0.14","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C128 H120 B4 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0425","0.0343","","","0.0862","0.1102","","","","","","1.153","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207984","25.361","0.005","7.8374","0.0016","12.844","0.003","90","","90","","90","","2552.9","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H8 N16 O6 Pb4 -","- C16 H8 N16 O6 Pb4 -","- C64 H32 N64 O24 Pb16 -","4","1","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0341","0.0306","","","0.0643","0.0659","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208533","15.8517","0.0005","11.2658","0.0004","34.8339","0.0009","90","","90","","90","","6220.7","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C64 H44 N8 O16 Zn2 -","- C64 H44 N8 O16 Zn2 -","- C256 H176 N32 O64 Zn8 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0925","0.0671","","","0.1621","0.1824","","","","","","0.983","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208603","21.2213","0.001","8.0908","0.0004","28.6471","0.0015","90","","90","","90","","4918.6","0.4","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","N-(4-nitrophenyl)-N'-(morpholino)thiourea","N-(4-nitrophenyl)-N'-(morpholino)thiourea","","- C11 H13 N3 O3 S -","- C11 H13 N3 O3 S -","- C176 H208 N48 O48 S16 -","16","4","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.1498","0.0471","","","0.0911","0.1249","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208614","27.108","0.005","17.406","0.004","17.248","0.003","90","","90","","90","","8138","3","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H56 Ba2 N4 O24 -","- C24 H56 Ba2 N4 O24 -","- C192 H448 Ba16 N32 O192 -","8","2","","Fu, Da-Wei; Zhang, Yi; Cai, Hong-Ling; Zhu, Hao-miao; Chen, Xue-yuan; Xiong, Ren-Gen","The first example of a molecule-based ferroelectric with barium cation: catena-(μ2-nitrito-O,O)-bi-aqua-(18-crown-6)-barium nitrite","Journal of Materials Chemistry","2012","22","34","17525","","10.1039/c2jm32662k","","","0.71073","MoKα","","0.0278","0.025","","","0.0607","0.0671","","","","","","1.143","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208656","12.129","0.0004","12.7912","0.0004","11.0668","0.0004","90","","90","","90","","1716.95","0.1","478","","478","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,4-diazabicyclo(2.2.2)octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C48 H104 Br8 N16 -","8","2","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","powder diffraction","","0.5385","synchrotron","","","","","","","","","5.9364","","","","","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208851","8.5482","0.001","10.7471","0.0012","9.6662","0.0011","90","","90","","90","","888.02","0.18","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","","Zhang, Chun; Zhang, Liangren; Jiao, Ning","Catalyst free approach to benzimidazoles using air as the oxidant at room temperature","Green Chemistry","2012","14","12","3273","","10.1039/c2gc36416f","","","0.71073","MoKα","","0.0583","0.0475","","","0.1148","0.1237","","","","","","1.073","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7209510","11.814","0.003","18.304","0.005","7.957","0.002","90","","90","","90","","1720.6","0.8","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(E)-3-(4-(benzyloxy)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour","CrystEngComm","2013","15","13","2438","","10.1039/c2ce26185e","","","0.71073","MoKα","","0.0784","0.0515","","","0.1336","0.1591","","","","","","1.059","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209798","14.0264","0.0006","4.6351","0.0002","10.5403","0.0005","90","","90","","90","","685.26","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C16 H20 Br4 N8 S4 -","4","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0346","0.0341","","","0.0969","0.0975","","","","","","1.115","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209893","10.0145","0.0004","8.8239","0.0003","13.7249","0.0008","90","","90","","90","","1212.83","0.1","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0471","0.0383","","","0.079","0.0837","","","","","","1.031","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7210060","18.0293","0.0007","20.8575","0.0008","26.7597","0.0011","90","","90","","90","","10062.9","0.7","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C79 H153 Mn Mo6 N8 O29 -","- C69.3 H128.5 Mn Mo6 N7.1 O28.4 -","- C277.2 H514 Mn4 Mo24 N28.4 O113.6 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1592","0.0823","","","0.1817","0.2247","","","","","","1.056","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210107","22.1366","0.0006","10.4274","0.0003","10.7186","0.0003","90","","90","","90","","2474.14","0.12","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C96 H112 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.054","0.039","","","0.085","0.092","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210111","11.033","0.002","10.411","0.002","24.957","0.005","90","","90","","90","","2866.7","1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H13 I N4 O2 -","- C12 H13 I N4 O2 -","- C96 H104 I8 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6893","synchrotron","","0.05","0.036","","","0.074","0.079","","","","","","1.01","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7211212","21.8064","0.0019","4.6133","0.0003","12.5773","0.0011","90","","90","","90","","1265.27","0.18","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,3-bis(2-nitrophenyl)urea","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.0621","0.0541","","","0.1238","0.1303","","","","","","1.098","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211793","20.258","0.003","4.7728","0.0006","21.145","0.003","90","","90","","90","","2044.5","0.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H21 Cu N3 O9 -","- C18 H21 Cu N3 O9 -","- C72 H84 Cu4 N12 O36 -","4","1","","Farnum, Gregory A.; Nettleman, Joseph H.; LaDuca, Robert L.","Structure and physical properties of substituted malonate divalent metal coordination polymers with dipyridylamine co-ligands: acentric chain, herringbone layer, and novel binodal network topologies","CrystEngComm","2010","12","3","888","","10.1039/b914746b","","","0.71073","MoKα","","0.043","0.0339","","","0.083","0.087","","","","","","1.058","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211797","18.21","0.004","7.692","0.002","4.6608","0.0007","90","","90","","90","","652.8","0.2","185","2","185","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Methanol chloroform clathrate (1:1)","Methanol chloroform clathrate (1:1)","","- C2 H5 Cl3 O -","- C2 H5 Cl3 O -","- C8 H20 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.066","0.0461","","","0.1173","0.1309","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212148","15.366","0.002","14.861","0.002","17.361","0.003","90","","90","","90","","3964.5","1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H30 Cl4 Fe N -","- C13 H30 Cl4 Fe N -","- C104 H240 Cl32 Fe8 N8 -","8","2","","Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W","Ionic liquids and solids with paramagnetic anions.","Physical chemistry chemical physics : PCCP","2010","12","31","8919","8925","10.1039/b920652n","","","0.71073","MoKα","","0.0488","0.0393","","","0.0854","0.0896","","","","","","1.002","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212435","8.749","0.0009","5.333","0.0005","24.881","0.003","90","","90","","90","","1160.9","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O2 S -","- C13 H10 F2 O2 S -","- C52 H40 F8 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0345","0.0296","","","0.0691","0.0718","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212445","8.1909","0.0009","5.4433","0.0005","24.948","0.002","90","","90","","90","","1112.32","0.18","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O S -","- C13 H10 F2 O S -","- C52 H40 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0324","0.0312","","","0.0818","0.0827","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212446","8.2638","0.0002","5.4277","0.0001","27.4202","0.0009","90","","90","","90","","1229.89","0.06","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H11 Br O S -","- C13 H11 Br O S -","- C52 H44 Br4 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0674","0.0539","","","0.1221","0.1312","","","","","","1.19","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212452","12.4822","0.0015","8.0394","0.0009","14.9907","0.0009","90","","90","","90","","1504.3","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.7107","MoKα","","0.1368","0.0522","","","0.1099","0.132","","","","","","1.032","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212662","11.517","0.0002","10.48","0.0003","9.196","0.0003","90","","90","","90","","1109.94","0.05","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Mom","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0574","0.0405","","","0.0862","0.0964","","","","","","1.106","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212686","7.778","0.0001","24.2111","0.0005","7.792","0.0001","90","","90","","90","","1467.34","0.04","123","0.1","123","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H8 Br2 F5 N -","- C13 H8 Br2 F5 N -","- C52 H32 Br8 F20 N4 -","4","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0419","0.0352","","","0.0669","0.0691","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212756","12.3903","0.0008","5.6871","0.0003","18.029","0.0011","90","","90","","90","","1270.41","0.13","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","AR-cc-1a-1 2-amino-5-bromopyridine, 4-NC-PhCOOH","","- C13 H10 Br N3 O2 -","- C13 H10 Br N3 O2 -","- C52 H40 Br4 N12 O8 -","4","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0409","0.0331","","","0.0735","0.0756","","","","","","0.991","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212847","25.025","0.0015","5.5727","0.0003","14.7787","0.0009","90","","90","","90","","2061","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H24 Ag N O5 S2 -","- C20 H24 Ag N O5 S2 -","- C80 H96 Ag4 N4 O20 S8 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0543","0.0441","","","0.1009","0.1075","","","","","","1.035","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7213061","10.29","0.004","5.972","0.003","22.928","0.007","90","","90","","90","","1409","1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H14 N2 O8 -","- C11 H14 N2 O8 -","- C44 H56 N8 O32 -","4","1","","Senthil Kumar, V. S.; Kuduva, Srinivasan S.; Desiraju, Gautam R.","Pseudopolymorphs of 3,5-dinitrosalicylic acid","Journal of the Chemical Society, Perkin Transactions 2","1999","","6","1069","","10.1039/a902134e","","","0.71073","MoKα","","0.0923","0.0499","","","0.1191","0.136","","","","","","0.984","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213071","10.4032","0.0012","14.172","0.002","18.893","0.002","90","","90","","90","","2785.5","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H13 N O -","- C19 H13 N O -","- C152 H104 N8 O8 -","8","2","","Noh, Taehee; Jeon, Kyungmoon; Jeong, Youngmee; Jang, Shinho; Min, Kil Sik","Synthesis of 9-cyanophenanthrene‒furan and ‒benzene cyclodimers and their reversion","Journal of the Chemical Society, Perkin Transactions 2","1999","","7","1299","","10.1039/a902714i","","","0.71069","MoKα","","0.1153","0.0529","","0.1757","0.1161","","","","0.887","1.119","1.119","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213193","21.094","0.002","5.6478","0.0006","21.496","0.002","90","","90","","90","","2560.9","0.4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,3,5,6-tetrakis(benzoyl)thiopyran-4-thione","","- C33 H20 O4 S2 -","- C33 H20 O4 S2 -","- C132 H80 O16 S8 -","4","1","","Jeppesen, Jan Oskar; Thorup, Niels; Becher, Jan","A novel thiopyran-4-thione synthesis and crystal structure of a thiopyran-4-thione","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1467","","10.1039/a908068f","","","0.71073","MoKα","","0.0394","0.0362","","","0.0865","0.0878","","","","","","1.089","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213476","21.431","0.004","6.1956","0.0012","20.414","0.004","90","","90","","90","","2710.5","0.9","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H18 B Fe N O2 -","- C13 H18 B Fe N O2 -","- C104 H144 B8 Fe8 N8 O16 -","8","2","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.1632","0.0788","","0.1533","0.1223","","","","1.052","1.133","1.133","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213492","12.0943","0.0002","16.0992","0.0001","16.4556","0.0001","90","","90","","90","","3204.05","0.06","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H22 F6 N3 P -","- C12 H22 F6 N3 P -","- C96 H176 F48 N24 P8 -","8","2","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0486","0.0398","","0.1088","","0.1009","","","1.094","","","1.09","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213869","19.6653","0.0018","11.3358","0.0011","14.1097","0.0012","90","","90","","90","","3145.4","0.5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H24 Cl2 N10 Zn -","- C32 H24 Cl2 N10 Zn -","- C128 H96 Cl8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1508","0.0639","","","0.1382","0.1952","","","","","","1.051","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7214034","46.552","0.013","15.749","0.004","22.925","0.006","90","","90","","90","","16807","8","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Cl K La Mo12 N20 O78 P -","- C30 H30 Cl K La Mo12 N20 O68 P -","- C240 H240 Cl8 K8 La8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0602","0.049","","","0.114","0.1203","","","","","","1.037","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214035","46.525","0.007","15.707","0.002","22.889","0.003","90","","90","","90","","16727","4","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Ce Cl K Mo12 N20 O78 P -","- C30 H30 Ce Cl K Mo12 N20 O68 P -","- C240 H240 Ce8 Cl8 K8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0582","0.0476","","","0.107","0.113","","","","","","1.036","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214036","46.551","0.005","15.6964","0.0017","22.913","0.003","90","","90","","90","","16742","3","223","2","223","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C30 H69 Cl Mo12 N20 O79 P Pr -","- C30 H30 Cl Mo12 N20 O65 P Pr -","- C240 H240 Cl8 Mo96 N160 O520 P8 Pr8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0835","0.0564","","","0.1245","0.1357","","","","","","1.015","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214292","13.445","0.006","6.382","0.003","9.727","0.005","90","","90","","90","","834.6","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0348","0.0287","","","0.068","0.0713","","","","","","1.012","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214309","22.439","0.005","5.3555","0.0011","13.393","0.003","90","","90","","90","","1609.5","0.6","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Rao, Yin; Li, Zhexian; Yin, Guodong","Clean and efficient assembly of functionalized benzofuro[2,3-c]pyridines via metal-free one-pot domino reactions","Green Chemistry","2014","16","4","2213","","10.1039/c3gc42234h","","","0.71073","MoKα","","0.076","0.0469","","","0.114","0.1293","","","","","","1.037","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214423","6.9725","0.0003","17.7977","0.0006","5.6105","0.0002","90","","90","","90","","696.23","0.05","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","hexylamine","","- C6 H15 N -","- C6 H15 N -","- C24 H60 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0504","0.0418","","0.1078","0.0969","0.1078","","","","","","1.0087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214425","7.0309","0.0005","22.3077","0.0015","5.5826","0.0004","90","","90","","90","","875.59","0.11","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","octylamine","","- C8 H19 N -","- C8 H19 N -","- C32 H76 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.055","0.0536","","0.1084","0.1062","0.1084","","","","","","1.0043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214427","7.066","0.0004","26.8352","0.0015","5.573","0.0003","90","","90","","90","","1056.74","0.1","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","decylamine","","- C10 H23 N -","- C10 H23 N -","- C40 H92 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0592","0.0536","","0.1229","0.1187","0.1229","","","","","","0.9762","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214655","29.95","0.012","4.995","0.002","22.828","0.01","90","","90","","90","","3415","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C144 H120 Cl8 N16 O16 S8 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0847","0.0658","","","0.1599","0.2089","","","","","","1.12","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214832","17.1666","0.0005","3.8501","0.0001","19.561","0.0004","90","","90","","90","","1292.85","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4-aminopyridium_5-bromosalicylate_monohydrate","4-aminopyridium_5-bromosalicylate_monohydrate","","- C12 H13 Br N2 O4 -","- C12 H13 Br N2 O4 -","- C48 H52 Br4 N8 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0384","0.0282","","","0.0584","0.0629","","","","","","1.089","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7215033","18.683","0.011","7.826","0.005","37.85","0.02","90","","90","","90","","5534","6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C56 H44 Cd2 N12 O20 -","- C56 H44 Cd2 N12 O20 -","- C224 H176 Cd8 N48 O80 -","4","1","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.1097","0.0779","","","0.1874","0.2439","","","","","","1.048","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215299","19.0367","0.0016","8.23","0.0007","18.2963","0.0015","90","","90","","90","","2866.5","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22.85 H20.65 Cd N4.95 O6.7 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","1","","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","","0.0359","0.0282","","","0.0686","0.072","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215364","10.781","0.0005","15.8837","0.0007","25.1737","0.0011","90","","90","","90","","4310.8","0.3","185","2","185","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H40 Mg3 N3 O21 -","- C39 H30 Mg3 N2 O20.65 -","- C156 H120 Mg12 N8 O82.6 -","4","1","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.098","0.073","","","0.1979","0.2232","","","","","","1.064","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215454","13.687","0.002","14.88","0.003","13.809","0.004","90","","90","","90","","2812.4","1.1","273","2","273.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H24 Ag4 N4 O8 -","- C28 H24 Ag4 N4 O8 -","- C112 H96 Ag16 N16 O32 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0824","0.06","","","0.1318","0.1496","","","","","","1","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215479","16.681","0.002","10.1817","0.0014","28.164","0.004","90","","90","","90","","4783.4","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H32 N O6 -","- C24 H32 N O6 -","- C192 H256 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0405","0.0368","","","0.0998","0.1031","","","","","","0.993","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215657","14.7043","0.0003","9.0099","0.0002","21.454","0.0005","90","","90","","90","","2842.32","0.11","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C48 H164 Co4 Ge8 N36 S24 -","4","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0205","0.0199","","","0.0479","0.0482","","","","","","1.042","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215964","11.0697","0.0006","22.2083","0.0011","19.5333","0.0011","90","","90","","90","","4802.1","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H45 N11 O13 Zn2 -","- C41 H45 N11 O13 Zn2 -","- C164 H180 N44 O52 Zn8 -","4","1","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.0956","0.0661","","","0.1738","0.1906","","","","","","1.063","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216124","14.593","0.0013","9.6778","0.0007","17.2357","0.0015","90","","90","","90","","2434.2","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[Ni(bpta)(succinate)(H2O)2].3H2O","","","- C20 H35 N3 Ni O9 -","- C20 H35 N3 Ni O9 -","- C80 H140 N12 Ni4 O36 -","4","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKa","","0.0467","0.0354","","","0.0684","0.0734","","","","","","0.968","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216503","11.888","0.002","12.313","0.003","16.815","0.003","90","","90","","90","","2461.3","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","none","benzoic acid + 2-amino-6-methylpyridine","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1051","0.0525","","","0.1079","0.1297","","","","","","1.019","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216509","22.826","0.005","10.082","0.002","10.677","0.002","90","","90","","90","","2457.1","0.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline.phenol cocrystal","","- C31 H26 N2 O2 -","- C31 H26 N2 O2 -","- C124 H104 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.1722","0.0731","","","0.1024","0.1278","","","","","","1","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216645","14.3564","0.0012","13.8963","0.0012","18.4197","0.0015","90","","90","","90","","3674.7","0.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H44 Mo6 N6 O29.5 P -","- C6 H13 Mo6 N6 O29.5 P -","- C24 H52 Mo24 N24 O118 P4 -","4","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0325","0.0307","","","0.0825","0.0837","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216723","15.269","0.003","8.82","0.002","21.635","0.005","90","","90","","90","","2913.6","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H41 N8 O6 P -","- C25 H41 N8 O6 P -","- C100 H164 N32 O24 P4 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0858","0.0541","","","0.1342","0.1532","","","","","","0.933","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216724","26.1677","0.001","16.0917","0.0008","8.6296","0.0004","90","","90","","90","","3633.8","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H46 N8 O6 P2 -","- C34 H46 N8 O6 P2 -","- C136 H184 N32 O24 P8 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1077","0.0494","","","0.1125","0.1441","","","","","","1","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216741","16.155","0.0007","9.501","0.0005","19.157","0.0009","90","","90","","90","","2940.4","0.2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl5 Cu2 N8 O4 P -","- C20 H20 Cl5 Cu2 N8 O4 P -","- C80 H80 Cl20 Cu8 N32 O16 P4 -","4","1","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.0947","0.0603","","","0.1213","0.1357","","","","","","1.016","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216759","11.7941","0.0017","10.9501","0.0016","22.359","0.003","90","","90","","90","","2887.6","0.7","298","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","1","0.25","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0286","0.0284","","","0.0647","0.0648","","","","","","1.19","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216860","12.0792","0.0005","9.1171","0.0004","15.1341","0.0007","90","","90","","90","","1666.68","0.13","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N4 O2 -","- C20 H14 N4 O2 -","- C80 H56 N16 O8 -","4","1","","Mukherjee, Manjira; Pal, Siddhartha; Sen, Buddhadeb; Lohar, Somenath; Banerjee, Samya; Banerjee, Snehasis; Chattopadhyay, Pabitra","Substituent effect on fluorescence signaling of the cell permeable HSO4− receptors through single point to ratiometric response in green solvent","RSC Advances","2014","4","53","27665","","10.1039/c4ra03551h","","","0.71073","MoKα","","0.0356","0.0302","","","0.0797","0.0847","","","","","","1.033","","","","has coordinates","194043","2020-10-21","18:00:00",""
"7216910","11.7867","0.0003","15.9615","0.0004","33.1308","0.0009","90","","90","","90","","6233","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H84 N8 O6 Si4 -","- C54 H84 N8 O6 Si4 -","- C216 H336 N32 O24 Si16 -","4","1","","Andresen, Geir; Eriksen, Aud Berglen; Dalhus, Bjørn; Gundersen, Lise-Lotte; Rise, Frode","Synthesis of 6-substituted purin-2-ones with potential cytokinin activity","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1662","","10.1039/b101327k","","","0.71073","MoKα","","0.0764","0.0581","","","0.1477","0.1619","","","","","","1.038","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7217174","25.926","0.005","13.837","0.003","15.243","0.003","90","","90","","90","","5468.2","1.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","{[Mn3L2(pbbm)]CH3CN}n","","","- C63 H45 Mn3 N5 O12 -","- C63 H45 Mn3 N5 O12 -","- C252 H180 Mn12 N20 O48 -","4","1","","Liu, Lu; Lv, Xiaofeng; Zhang, Lin; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Mn(ii) coordination polymers assembled from 8 or 9-connected trinuclear secondary building units: topology analysis and research of magnetic properties","CrystEngComm","2014","16","37","8736","","10.1039/C4CE01184H","","","0.71073","MoKα","","0.1189","0.0885","","","0.1574","0.1754","","","","","","1.001","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217285","24.5162","0.0013","14.2702","0.0007","27.0151","0.0013","90","","90","","90","","9451.3","0.8","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","IPrAuSMe2-Aletbat","","","- C94 H142 Al Au N2 O4 S -","- C94 H142 Al Au N2 O4 S -","- C376 H568 Al4 Au4 N8 O16 S4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.0908","0.0586","","","0.1074","0.1213","","","","","","1.023","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217648","9.8602","0.0012","16.961","0.002","24.948","0.003","90","","90","","90","","4172.3","0.9","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C46 H22 Cu F20 O4 -","- C46 H22 Cu F20 O4 -","- C184 H88 Cu4 F80 O16 -","4","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0284","0.025","","","0.0623","0.0642","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217779","11.2447","0.0002","8.0932","0.0001","30.0999","0.0005","90","","90","","90","","2739.26","0.07","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","BariumMOF","","","- C28 H16 Ba2 O13 -","- C28 H16 Ba2 O13 -","- C112 H64 Ba8 O52 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0219","0.0174","","","0.0555","0.0811","","","","","","1.37","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217882","15.307","0.002","9.451","0.0014","6.9446","0.001","90","","90","","90","","1004.7","0.2","296","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","methyl trichloromethylpyrazolo pyrimidine","2-methyl-7-trichloromethylpyrazolo [1,5-a] pyrimidine","","- C8 H6 Cl3 N3 -","- C8 H6 Cl3 N3 -","- C32 H24 Cl12 N12 -","4","1","","Frizzo, Clarissa Piccinin; Martins, Marcos A. P.; Tier, Aniele; Gindri, Izabelle M.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Anna C. L.","Energetic and Topological Approach for Characterization of Supramolecular Clusters in Organic Crystals","RSC Adv.","2014","","","","","10.1039/C4RA06040G","","","0.71073","MoKα","","0.0682","0.0459","","","0.1202","0.135","","","","","","1.05","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218038","17.6923","0.0007","15.6746","0.0007","42.594","0.0011","90","","90","","90","","11812.2","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C96 H96 O36 Zn4 -","- C96 H88 O36 Zn4 -","- C384 H352 O144 Zn16 -","4","1","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","1.54184","CuKα","","0.1247","0.0998","","","0.2696","0.2953","","","","","","1.011","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218081","12.3765","0.0007","14.9478","0.0009","21.9246","0.0013","90","","90","","90","","4056.1","0.4","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H18 B F N2 O -","- C26 H18 B F N2 O -","- C208 H144 B8 F8 N16 O8 -","8","2","","Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate.","Physical chemistry chemical physics : PCCP","2014","16","41","22762","22774","10.1039/c4cp02606c","","","0.71073","MoKα","","0.0476","0.0445","","0.1047","0.1031","0.1047","","","","","","0.9997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218134","10.3838","0.0005","5.7184","0.0003","11.4118","0.0007","90","","90","","90","","677.62","0.06","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N,N-dimethylglycine","2-(Dimethylamino)acetate perhydrate","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0671","0.0415","","","0.0806","0.0915","","","","","","1.058","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218178","18.5081","0.0005","4.823","0.0001","10.9635","0.0004","90","","90","","90","","978.65","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0536","0.0347","","","0.058","0.0677","","","","","","1.049","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218324","64.445","0.006","4.9349","0.0004","9.1473","0.0008","90","","90","","90","","2909.1","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","DW-8-9 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)6-I","","- C24 H22 F12 I2 N4 O2 -","- C24 H22 F12 I2 N4 O2 -","- C96 H88 F48 I8 N16 O8 -","4","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0496","0.0367","","","0.106","0.1164","","","","","","1.048","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218480","12.809","0.002","13.372","0.002","7.3552","0.0011","90","","90","","90","","1259.8","0.3","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H17 N5 O6 -","- C8 H17 N5 O6 -","- C32 H68 N20 O24 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0643","0.0459","","","0.0806","0.0856","","","","","","0.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218505","18.08801","0.00059","12.04679","0.00049","7.2298","0.00019","90","","90","","90","","1575.39","0.09","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","9-tert-butylacridizinium bromide monohydrate","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C68 H80 Br4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.021","2.552","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218596","23.9173","0.0015","6.733","0.0003","7.7378","0.0005","90","","90","","90","","1246.06","0.13","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Bandyopadhyay, Subhajit; Roy, Biswajit; Hatai, Joydev; Mondal, Debashis","A highly efficient tandem [3+2] “click” cycloaddition /6-exo-cyclization strategy for the construction of triazole fused pyrazines","RSC Adv.","2014","","","","","10.1039/C4RA12489H","","","0.7107","MoKα","","0.0589","0.0555","","","0.1443","0.1482","","","","","","1.044","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218811","11.977","0.001","10.516","0.001","11.29","0.001","90","","90","","90","","1422","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-Adamantan-1-yl-benzenesulfonamide","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0328","0.0298","","","0.0721","0.0734","","","","","","1.068","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218819","33.52","0.005","7.2362","0.001","15.699","0.002","90","","90","","90","","3807.9","0.9","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C184 H184 N8 O16 -","8","2","","Rao, Yin; Liu, Meilin; Wu, Lu; Yin, Guo-Dong","Catalyst-free one-pot domino reactions for selective synthesis of functionalized 2,8-oxazabicyclo[3.3.1]nonanes and 5H-indeno[1,2-b]pyridin-5-ones","RSC Adv.","2014","","","","","10.1039/C4RA13166E","","","0.71073","MoKα","","0.0753","0.0496","","","0.1132","0.1282","","","","","","1.024","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218898","24.404","0.004","4.7162","0.0009","14.206","0.003","90","","90","","90","","1635","0.5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C72 H72 Br4 N4 O8 -","4","1","","Chen, Zhao; Wu, Di; Han, Xie; Nie, Yuting; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","1,8-Naphthalimide-based highly blue-emissive fluorophore induced by a bromine atom: reversible thermochromism and vapochromism characteristics","RSC Adv.","2014","4","109","63985","","10.1039/C4RA12091D","","","0.71073","MoKα","","0.0831","0.0404","","","0.0976","0.1118","","","","","","0.972","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7219130","34.686","0.008","4.0087","0.0009","10.092","0.002","90","","90","","90","","1403.2","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C48 H48 B4 I4 N8 O12 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0598","0.0531","","","0.1108","0.1135","","","","","","1.163","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219181","18.6566","0.0009","11.8775","0.0006","19.2374","0.001","90","","90","","90","","4262.9","0.4","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C43 H30 Cu2 F3 N9 O3 S -","- C43 H30 Cu2 F3 N9 O3 S -","- C172 H120 Cu8 F12 N36 O12 S4 -","4","1","","Fang, Wen-zhong; Wang, Ya-Ping; Wang, Yi-Fan; Zhang, Shou-chun; Yi, Xiao-Yi","Anion-directed Assembly of Helical Copper(II) Complexes Based on a Bispyridylpyrrole Ligand: Synthesis, Structural and Magnetic Properties","RSC Adv.","2014","","","","","10.1039/C4RA15191G","","","0.71073","MoKα","","0.1053","0.0647","","","0.1546","0.1685","","","","","","1.013","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219241","15.4965","0.0007","16.8579","0.0007","12.6159","0.0006","90","","90","","90","","3295.8","0.3","153","2","153","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H62 Al3 Fe2 Li N4 O2 -","- C20 H62 Al3 Fe2 Li N4 O2 -","- C80 H248 Al12 Fe8 Li4 N16 O8 -","4","1","","Gieshoff, Tim N.; Villa, Matteo; Welther, Alice; Plois, Markus; Chakraborty, Uttam; Wolf, Robert; Jacobi von Wangelin, Axel","Iron-catalyzed olefin hydrogenation at 1 bar H2with a FeCl3‒LiAlH4catalyst","Green Chem.","2015","17","3","1408","","10.1039/C4GC02368D","","","0.71073","MoKα","","0.0489","0.0329","","","0.0678","0.0741","","","","","","1.019","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219503","11.5417","0.0012","5.0515","0.0005","21.0649","0.0015","90","","90","","90","","1228.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 O2 -","- C11 H22 N2 O2 -","- C44 H88 N8 O8 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0509","0.0399","","","0.0825","0.0877","","","","","","1.044","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219708","23.4076","0.001","10.6422","0.0003","8.9673","0.0003","90","","90","","90","","2233.83","0.14","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Ferrocenyl-3-phenyl-1-m-tolyltetrahydropyrimidin-2(1H)-one","","- C27 H26 Fe N2 O -","- C27 H26 Fe N2 O -","- C108 H104 Fe4 N8 O4 -","4","1","","Minic, Aleksandra; Stevanovic, Dragana; Damljanovic, Ivan; Pejovic, Anka; Vukicevic, Mirjana; Bogdanovic, Goran A.; Radulović, Niko S; Vukicevic, Rastko D.","Synthesis of ferrocene-containing six-membered cyclic ureas via α-ferrocenyl carbocations","RSC Adv.","2015","","","","","10.1039/C5RA01383F","","","0.71073","MoKα","","0.0518","0.0402","","","0.0989","0.1059","","","","","","1.044","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219796","27.6959","0.0014","3.6849","0.0001","21.5993","0.001","90","","90","","90","","2204.35","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0562","0.0418","","","0.0953","0.1039","","","","","","1.037","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219822","13.0446","0.0003","8.8181","0.0002","19.3686","0.0005","90","","90","","90","","2227.94","0.09","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H28 Cl Cu N3 O9 -","- C18 H24 Cl Cu N3 O9 -","- C72 H96 Cl4 Cu4 N12 O36 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0514","0.0468","","","0.1173","0.1217","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219880","10.57","0.005","7.329","0.004","45.553","0.008","90","","90","","90","","3529","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Ferrocenyl-2-[(naphthalen-2-yl)thio]ethanone","","- C22 H18 Fe O S -","- C22 H18 Fe O S -","- C176 H144 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.135","0.0674","","","0.126","0.1538","","","","","","0.975","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7220041","20.775","0.007","6.04","0.002","7.497","0.003","90","","90","","90","","940.7","0.6","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Zhao, Jingjing; Li, Pan; Xia, Chungu; li, fuwei","Metal-free regioselective C-3 nitration of quinoline N-oxides with tert-butyl nitrite","RSC Adv.","2015","","","","","10.1039/C5RA04632G","","","0.71073","MoKα","","0.205","0.1825","","","0.3697","0.3791","","","","","","1.015","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220103","9.1521","0.0004","11.4375","0.0004","19.7882","0.0006","90","","90","","90","","2071.37","0.13","291","2","291","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H22 N2 -","- C28 H22 N2 -","- C112 H88 N8 -","4","1","","Denißen, Melanie; Nordmann, Jan; Dziambor, Julian; Mayer, Bernhard; Frank, Walter; Müller, Thomas J. J.","Sequential palladium catalyzed coupling‒cyclocondensation‒coupling (C3) four-component synthesis of intensively blue luminescent biarylsubstituted pyrazoles","RSC Adv.","2015","5","43","33838","","10.1039/C5RA03104D","","","0.71073","MoKα","","0.0338","0.0324","","","0.0913","0.0925","","","","","","1.052","","","","has coordinates","135719","2020-10-21","18:00:00",""
"7220113","22.7372","0.0013","7.6135","0.0004","32.6719","0.0019","90","","90","","90","","5655.8","0.5","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C57.25 H48.5 Cl2.5 Cu2 Fe2 I2 Se4 -","- C57 H48 Cl2 Cu2 Fe2 I2 Se4 -","- C228 H192 Cl8 Cu8 Fe8 I8 Se16 -","4","1","","Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian","Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property","RSC Adv.","2015","","","","","10.1039/C5RA06591G","","","0.71073","MoKα","","0.0758","0.0575","","","0.1383","0.1475","","","","","","1.04","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220395","14.265","0.005","7.246","0.002","8.86","0.003","90","","90","","90","","915.8","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H11 O3 P -","- C8 H11 O3 P -","- C32 H44 O12 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0249","0.0247","","","0.0586","0.0587","","","","","","1.063","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220663","19.15","0.004","10.919","0.002","14.603","0.003","90","","90","","90","","3053.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H14 Hg N2 O3 -","- C16 H14 Hg N2 O3 -","- C128 H112 Hg8 N16 O24 -","8","2","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.105","0.0505","","","0.095","0.1148","","","","","","1.036","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220664","26.22","0.005","9.0815","0.0018","10.654","0.002","90","","90","","90","","2536.9","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Hg2 N4 O3 -","- C26 H22 Hg2 N4 O3 -","- C104 H88 Hg8 N16 O12 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1178","0.0518","","","0.0836","0.1043","","","","","","0.867","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220674","29.462","0.004","12.7234","0.0015","11.2553","0.0014","90","","90","","90","","4219.1","0.9","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C41 H49 Br Cl2 N2 O5 S -","- C41 H49 Br Cl2 N2 O5 S -","- C164 H196 Br4 Cl8 N8 O20 S4 -","4","1","","Lei, Yu; Zhang, Xiao-Nan; Yang, Xue-Yan; Xu, Qin; Shi, Min","Regio- and diastereoselective construction of 1′,2′-(dihydrospiro[indoline-3,3′-pyrrol]-2′-yl)acrylates through phosphine-catalyzed [4 + 1] annulation of Morita‒Baylis‒Hillman carbonates with oxindole-derived α,β-unsaturated imines","RSC Adv.","2015","5","61","49657","","10.1039/C5RA09147K","","","0.71073","MoKα","","0.1462","0.0662","","","0.1523","0.1859","","","","","","0.978","","","","has coordinates","137893","2020-10-21","18:00:00",""
"7221011","13.8537","0.0016","4.8506","0.0004","18.6706","0.0015","90","","90","","90","","1254.6","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","1","","Sarkar, Rajib; Maji, Krishnendu; HALDAR, DEBASISH","An efficient one pot ipso-nitration: Structural transformation of a dipeptide by N-terminus modification","RSC Adv.","2015","","","","","10.1039/C5RA09789D","","","0.71073","MoKα","","0.0833","0.069","","","0.1747","0.1945","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221305","13.89","","7.286","","5.172","","90","","90","","90","","523.42","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Cl (C O) S N S O","","- C Cl N O2 S2 -","- C Cl N O2 S2 -","- C4 Cl4 N4 O8 S8 -","4","1","","Romano, R.M.; Della Vedova, C.O.; Boese, R.; Hildebrandt, P.","Structural and spectroscopic characterization of Cl C (O) S N S O. A theoretical and experimental study","Physical Chemistry Chemical Physics","1999","1","","2551","2557","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221465","14.136","","5.9985","","9.6879","","90","","90","","90","","821.484","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 O4 S2 -","- C8 O4 S2 -","- C32 O16 S8 -","4","1","","Beck, J.; Krieger-Beck, P.; Kelm, K.","The squaric acid derivatives C8 O4 S2 and C8 O4 Se2 - crystal structures, explosive thermal behavior and the preparation of carbon suboxide selenide O C3 Se by flash vacuum pyrolysis","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","123","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221549","35.203","0.015","4.925","0.002","30.419","0.013","90","","90","","90","","5274","4","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H15 F12 N5 O -","- C27 H15 F12 N5 O -","- C216 H120 F96 N40 O8 -","8","2","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.163","0.0706","","","0.1403","0.189","","","","","","1.01","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7222501","7.0195","","10.785","","10.503","","90","","90","","90","","795.133","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Hg3 (N C N)2 Cl2","","- C2 Cl2 Hg3 N4 -","- C2 Cl2 Hg3 N4 -","- C8 Cl8 Hg12 N16 -","4","1","","Liu, X.-H.; Dronskowski, R.","Mercury cyanamide/carbodiimide networks: synthesis and crystal structures of Hg2 (N C N) Cl2 and Hg3 (N C N)2 Cl2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1108","1114","","","","","","","","","","","","","","","","","","","","","","has coordinates","161572","2020-10-21","18:00:00",""
"7223198","13.805","0.003","23.501","0.006","7.6773","0.0018","90","","90","","90","","2490.8","1","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C35 H24 S -","- C35 H24 S -","- C140 H96 S4 -","4","1","","Ye, Junwei; Huang, Xueming; Gao, Yuan; Wang, Xiaoxiao; Zheng, Ting; Lin, Yuan; Liu, Xin; Ning, Guiling","Morphology-controlled assembly and enhanced emission of fluorescence in organic nanospheres and microrods based on 1,2-diphenyl-4-(4-dibenzothienyl)phenyl-1,3-cyclopentadiene","CrystEngComm","2015","17","48","9311","","10.1039/C5CE01849H","","","0.71073","MoKα","","0.0916","0.0527","","","0.1051","0.1178","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223290","24.3084","0.001","5.0243","0.0002","8.4598","0.0004","90","","90","","90","","1033.22","0.08","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(2,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0263","0.0256","","","0.0615","0.062","","","","","","1.111","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223336","21.3375","0.0018","5.7007","0.0009","23.102","0.003","90","","90","","90","","2810.1","0.6","99.7","","99.7","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.1431","0.0809","","","0.1046","0.1309","","","","","","1.011","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223548","20.3729","0.0006","9.7388","0.0003","17.7787","0.0006","90","","90","","90","","3527.43","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H23 Cd2 Cl N4 O6 -","- C39 H23 Cd2 Cl N4 O6 -","- C156 H92 Cd8 Cl4 N16 O24 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.0685","0.0515","","","0.1234","0.1411","","","","","","1.042","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7224040","13.0629","0.0004","7.837","0.0002","11.6838","0.0003","90","","90","","90","","1196.12","0.06","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0884","0.0873","","","0.2236","0.2244","","","","","","1.052","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224041","13.231","0.01","7.883","0.007","11.786","0.01","90","","90","","90","","1229.3","1.8","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0424","0.0415","","","0.1182","0.1192","","","","","","1.02","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224042","13.357","0.01","8.073","0.007","11.836","0.01","90","","90","","90","","1276.3","1.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0375","0.0337","","","0.0818","0.0841","","","","","","1.026","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224043","13.296","0.01","8.069","0.006","11.772","0.009","90","","90","","90","","1263","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0565","0.0553","","","0.1263","0.127","","","","","","1.173","","","","has coordinates","177760","2020-10-21","18:00:00",""
"7224457","29.0803","0.001","9.4848","0.0003","15.2528","0.0005","90","","90","","90","","4207","0.2","180","","180","","","","101","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44.82 H53.64 O9.41 -","- C44.82 H53.64 O9.414 -","- C179.28 H214.56 O37.656 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54178","CuKα","","0.0522","0.0516","","0.1246","0.1244","0.1246","","","","","","1.0377","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224506","10.6102","0.001","21.855","0.002","22.183","0.002","90","","90","","90","","5143.9","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H34 Cl2 N2 O7 -","- C24 H34 Cl2 N2 O7 -","- C192 H272 Cl16 N16 O56 -","8","2","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.097","0.0641","","","0.1327","0.1515","","","","","","1.028","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7225004","12.4748","0.0003","19.5344","0.0003","10.0185","0.0002","90","","90","","90","","2441.39","0.09","130","0.1","130","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Cd N8 O2 -","- C26 H22 Cd N8 O2 -","- C104 H88 Cd4 N32 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.7107","MoKα","","0.0418","0.0289","","","0.0639","0.0711","","","","","","1.048","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225039","11.705","0.002","9.7452","0.0019","9.1003","0.0018","90","","90","","90","","1038","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,3-diselena-2-thia-ferrocenophane","","- C10 H8 Fe S Se2 -","- C10 H8 Fe S Se2 -","- C40 H32 Fe4 S4 Se8 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0457","0.0386","","","0.0882","0.0928","","","","","","1.072","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225187","7.90242","0.00016","19.4909","0.0004","18.5266","0.0004","90","","90","","90","","2853.56","0.1","119.95","0.1","119.95","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","di(chrysazinato)-bis(dimethylsulfoxide)-di-copper(II)","","- C32 H24 Cu2 O10 S2 -","- C32 H24 Cu2 O10 S2 -","- C128 H96 Cu8 O40 S8 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0996","0.1019","","","","","","1.055","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225300","29.106","0.004","7.0395","0.0009","6.465","0.0008","90","","90","","90","","1324.6","0.3","130","","130","","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Amino-1,2,4-triazolium 2,2,2-trinitroethyl nitrocarbamate","","- C5 H7 N9 O10 -","- C5 H7 N9 O10 -","- C20 H28 N36 O40 -","4","1","","Li, Ying; Huang, Haifeng; Lin, Xiangyang; Pan, Renming; Yang, Jun","Oxygen-rich anion based energetic salts with high detonation performances","RSC Adv.","2016","","","","","10.1039/C6RA10756G","","","0.71073","MoKα","","0.0438","0.0366","","","0.0805","0.0845","","","","","","1.031","","","","has coordinates","183048","2020-10-21","18:00:00",""
"7225371","17.9195","0.0015","9.1323","0.0008","18.7653","0.0015","90","","90","","90","","3070.9","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0297","0.027","","","0.0635","0.0651","","","","","","1.052","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225439","6.1946","0.0006","7.0152","0.0007","25.1","0.002","90","","90","","90","","1090.75","0.17","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann","C‒H⋯Br‒C vs. C‒Br⋯Br‒C vs. C‒Br⋯N bonding in molecular self-assembly of pyridine-containing dyes","RSC Adv.","2016","6","59","53669","","10.1039/C6RA10094E","","","0.71073","MoKα","","0.054","0.0477","","","0.1152","0.1185","","","","","","1.105","","","","has coordinates","183274","2020-10-21","18:00:00",""
"7225510","27.89","0.04","5.933","0.009","14.48","0.02","90","","90","","90","","2396","6","110.15","","110.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H8 Cl F N4 -","- C13 H8 Cl F N4 -","- C104 H64 Cl8 F8 N32 -","8","2","","Harisha, Mysore Bhyrappa; Nagaraj, Muthupandi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Base free regioselective synthesis of α-triazolylazine derivatives","RSC Adv.","2016","","","","","10.1039/C6RA10452E","","","0.71073","MoKα","","0.0364","0.0338","","","0.079","0.0806","","","","","","1.049","","","","has coordinates","183448","2020-10-21","18:00:00",""
"7225599","24.4897","0.0016","5.0316","0.0003","8.6187","0.0006","90","","90","","90","","1062.02","0.12","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","(F2_25 or 11-034)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0665","0.0591","","","0.1595","0.1675","","","","","","1.07","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225716","20.0597","0.0008","10.2411","0.0003","8.0519","0.0002","90","","90","","90","","1654.13","0.09","142","","142","","","","","","","","","5","P c a 21","P 2c -2ac","29","2-Phosphorindoline 2-oxide","2-Benzoyl-1-ethoxy-1-oxoazacyclohexano[3,2,1-h,i]phosphorindoline","","- C19 H20 N O3 P -","- C19 H20 N O3 P -","- C76 H80 N4 O12 P4 -","4","1","","Huang, Peipei; Xu, Jiaxi","Synthesis of 2-oxophosphorindolines via the copper-catalyzed intramolecular aromatic C-H insertion of diazophosphonamidates","RSC Adv.","2016","","","","","10.1039/C6RA10555F","","","0.7107","MoKα","","0.0382","0.0343","","","0.0805","0.0835","","","","","","1.025","","","","has coordinates","184010","2020-10-21","18:00:00",""
"7225881","35.825","0.002","11.9982","0.0007","17.1452","0.0009","90","","90","","90","","7369.6","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H56 B N2 O75 Sm3 W12 -","- C14 H56 B N2 O75 Sm3 W12 -","- C56 H224 B4 N8 O300 Sm12 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0453","0.0378","","","0.0786","0.082","","","","","","1.034","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225882","36.263","0.002","12.0588","0.0007","16.972","0.001","90","","90","","90","","7421.7","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H60 B N2 Nd3 O77 W12 -","- C14 H60 B N2 Nd3 O77 W12 -","- C56 H240 B4 N8 Nd12 O308 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0467","0.0368","","","0.0773","0.0823","","","","","","1.022","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225916","9.1743","0.0006","12.4421","0.0009","16.598","0.0012","90","","90","","90","","1894.6","0.2","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H13 Br Cl2 N2 -","- C21 H13 Br Cl2 N2 -","- C84 H52 Br4 Cl8 N8 -","4","1","","Xue, Shuwen; Liu, Jiaming; Qing, Xushun; Wang, Cunde","Brönsted acid-mediated Annulations of 1-Cyanocyclopropane-1-carboxylates with Arylhydrazines: Efficient Strategy for Synthesis of 1,3,5-Trisubstituted Pyrazoles","RSC Adv.","2016","","","","","10.1039/C6RA14557D","","","0.71073","MoKα","","0.0833","0.0665","","","0.1928","0.2118","","","","","","1.042","","","","has coordinates","184440","2020-10-21","18:00:00",""
"7226028","17.3513","0.0003","14.2331","0.0002","15.8822","0.0002","90","","90","","90","","3922.31","0.1","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H16 Br Cl N2 O2 -","- C23 H16 Br Cl N2 O2 -","- C184 H128 Br8 Cl8 N16 O16 -","8","2","","Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei","Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives","RSC Adv.","2016","","","","","10.1039/C6RA15002K","","","0.71073","MoKα","","0.0591","0.0481","","","0.1126","0.1182","","","","","","1.031","","","","has coordinates","184647","2020-10-21","18:00:00",""
"7226160","6.0355","0.0004","7.298","0.0004","27.8833","0.0018","90","","90","","90","","1228.18","0.13","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H11 I O2 -","- C14 H11 I O2 -","- C56 H44 I4 O8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0306","0.0287","","","0.0681","0.0687","","","","","","1.11","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226161","9.3961","0.0007","9.545","0.0007","27.323","0.0019","90","","90","","90","","2450.5","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H16 Cd3 O10 P2 -","- C26 H16 Cd3 O10 P2 -","- C104 H64 Cd12 O40 P8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0322","0.032","","","0.0772","0.0773","","","","","","1.128","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226181","12.8947","0.0002","8.5141","0.0001","7.3227","0.0001","90","","90","","90","","803.936","0.019","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H8 O2 S2 -","- C6 H8 O2 S2 -","- C24 H32 O8 S8 -","4","1","","Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A.","A Pb2±binding polychelatogen derived from thionated lactide","RSC Adv.","2016","6","78","74250","","10.1039/C6RA16230D","","","1.54178","CuKα","","0.0194","0.0194","","","0.0515","0.0515","","","","","","1.153","","","","has coordinates","185053","2020-10-21","18:00:00",""
"7226206","14.507","0.003","3.5938","0.0007","20.191","0.004","90","","90","","90","","1052.7","0.4","153","2","153","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C3 H9 N10 Na O4 -","- C3 H9 N10 Na O4 -","- C12 H36 N40 Na4 O16 -","4","1","","Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao","Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime","RSC Adv.","2016","","","","","10.1039/C6RA15591J","","","0.71073","MoKα","","0.0351","0.0338","","","0.0766","0.0777","","","","","","1.09","","","","has coordinates","185733","2020-10-21","18:00:00",""
"7226258","14.075","0.002","7.9884","0.0011","17.57","0.002","90","","90","","90","","1975.5","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H16 Cl N3 O2 -","- C24 H16 Cl N3 O2 -","- C96 H64 Cl4 N12 O8 -","4","1","","Blanco, Víctor; Abella, Dolores; Rama, Tamara; Alvariño, Cristina; García, Marcos D.; Peinador, Carlos; Quintela, José María","Guest-induced stereoselective self-assembly of quinoline-containing Pd(II) and Pt(II) metallacycles","RSC Adv.","2016","","","","","10.1039/C6RA14909J","","","0.71073","MoKα","","0.1968","0.0676","","","0.1519","0.2065","","","","","","0.975","","","","has coordinates","185825","2020-10-21","18:00:00",""
"7226592","20.9773","0.001","8.314","0.0003","14.4916","0.0008","90","","90","","90","","2527.4","0.2","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C40 H40 Cl8 I24 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0409","0.026","","","0.0452","0.0474","","","","","","0.871","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226598","20.1312","0.0007","8.0508","0.0003","13.6068","0.0007","90","","90","","90","","2205.28","0.16","180.15","","180.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C40 H40 Br32 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0315","0.0273","","","0.0642","0.0656","","","","","","1.022","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226599","19.8954","0.0018","8.0101","0.0006","13.5899","0.0012","90","","90","","90","","2165.7","0.3","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br3 Cl N Pb -","- C5 H5 Br3 Cl N Pb -","- C40 H40 Br24 Cl8 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0461","0.031","","","0.0651","0.069","","","","","","0.936","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226668","7.8102","0.0002","11.8025","0.0003","10.2102","0.0002","90","","90","","90","","941.18","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H16 N O2 -","- C9 H16 N O2 -","- C36 H64 N4 O8 -","4","1","","Nelyubina, Yu. V.; Ananyev, I. V.; Novikov, V. V.; Lyssenko, K. A.","Invariom approach to electron density studies of open-shell compounds: the case of an organic nitroxide radical","RSC Adv.","2016","6","94","91694","","10.1039/C6RA21365K","","","0.71073","MoKα","","0.0402","0.0303","","","0.0735","0.0809","","","","","","1.048","","","","has coordinates","186819","2020-10-21","18:00:00",""
"7226990","15.3622","0.0008","5.6904","0.0003","24.0819","0.001","90","","90","","90","","2105.17","0.18","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O6 S2 -","- C22 H20 N2 O6 S2 -","- C88 H80 N8 O24 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0797","0.0783","","","0.2017","0.2026","","","","","","1.115","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226994","15.8547","0.0005","6.138","0.0002","37.0248","0.0012","90","","90","","90","","3603.1","0.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 N2 O4 S2 -","- C19 H16 N2 O4 S2 -","- C152 H128 N16 O32 S16 -","8","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1357","0.1318","","","0.3771","0.3826","","","","","","1.754","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7227245","13.1253","0.0002","7.86257","0.00013","11.71964","0.00016","90","","90","","90","","1209.45","0.03","250","0.1","250","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0446","0.0407","","","0.1101","0.1135","","","","","","1.053","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227247","13.3063","0.0002","8.0603","0.0001","11.7787","0.0001","90","","90","","90","","1263.3","0.03","260","0.1","260","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0265","0.0249","","","0.0658","0.0668","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227284","8.8117","0.0009","7.4263","0.0008","14.7072","0.0016","90","","90","","90","","962.41","0.18","213","1","213","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","1","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0312","0.031","","","0.0846","0.0848","","","","","","1.091","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227339","24.4406","0.0008","4.3182","0.0002","11.0826","0.0004","90","","90","","90","","1169.65","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Yin, Bo; Huang, Panpan; Lu, Yingbing; Liu, Liangxian","TEMPO-catalyzed oxidative homocoupling route to 3,2′-biindolin-2-ones via an indolin-3-one intermediate","RSC Adv.","2017","7","2","606","","10.1039/C6RA24834A","","","0.71073","MoKα","","0.1002","0.0397","","","0.0557","0.0649","","","","","","0.831","","","","has coordinates","189817","2020-10-21","18:00:00",""
"7227540","31.155","0.006","7.7105","0.0015","11.419","0.002","90","","90","","90","","2743.1","0.9","170","","170","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H15 B F2 N2 O -","- C15 H15 B F2 N2 O -","- C120 H120 B8 F16 N16 O8 -","8","2","","Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys","Two-photon absorption of BF2-carrying compounds: insights from theory and experiment.","Physical chemistry chemical physics : PCCP","2017","19","8","5705","5708","10.1039/c7cp00063d","","","0.71073","MoKα","","0.0502","0.0365","","","0.0732","0.0786","","","","","","1.072","","","","has coordinates","193909","2020-10-21","18:00:00",""
"7227544","10.831","0.002","10.431","0.002","30.703","0.006","90","","90","","90","","3468.8","1.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(9-anthryl)-1-(4-chloro) prop-2-en-1-one","","- C23 H15 Cl O -","- C23 H15 Cl O -","- C184 H120 Cl8 O8 -","8","2","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1141","0.0551","","","0.0969","0.1132","","","","","","0.998","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7227829","27.592","0.0009","20.794","0.0006","16.12","0.0005","90","","90","","90","","9248.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H53 Mo7 N6 O35.5 -","- C18 H26 Mo7 N6 O35.5 -","- C144 H208 Mo56 N48 O284 -","8","2","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.051","0.0434","","","0.1053","0.11","","","","","","1.055","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227850","27.7264","0.0007","7.7631","0.0003","16.5025","0.0007","90","","90","","90","","3552","0.2","120","","393.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H20 Cl2 N2 O2 Ru S2 -","- C14 H20 Cl2 N2 O2 Ru S2 -","- C112 H160 Cl16 N16 O16 Ru8 S16 -","8","2","","Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Ashok Kumar, Sarvana Loganthan; Jung, Jang Yoon; Puschmann, Horst; Fronczek, Frank R.; Natarajan, Karuppannan","The effect of incorporating carboxylic acid functionalities into 2,2′-bipyridine on the biological activity of the complexes formed: synthesis, structure, DNA/protein interaction, antioxidant activity and cytotoxicity","RSC Adv.","2017","7","27","16428","","10.1039/C7RA00425G","","","0.7107","MoKα","","0.0324","0.0314","","","0.0736","0.0743","","","","","","1.135","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7227955","15.7203","0.001","13.1516","0.0009","6.1682","0.0004","90","","90","","90","","1275.26","0.15","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H7 N O6 Zn -","- C14 H7 N O6 Zn -","- C56 H28 N4 O24 Zn4 -","4","1","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","1.54184","CuKα","","0.0625","0.0481","","","0.1165","0.1318","","","","","","1.083","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7228180","14.991","0.005","6.826","0.003","25.261","0.009","90","","90","","90","","2584.9","1.7","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H18 Ca2 N6 O10 -","- C22 H18 Ca2 N6 O10 -","- C88 H72 Ca8 N24 O40 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.1605","0.1244","","","0.2848","0.3064","","","","","","1.089","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228302","19.713","0.004","12.146","0.003","17.155","0.004","90","","90","","90","","4107.5","1.6","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H26 F2 Fe N O4 S2 -","- C18 H26 F2 Fe N O4 S2 -","- C144 H208 F16 Fe8 N8 O32 S16 -","8","2","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.0988","0.0883","","","0.2039","0.2107","","","","","","1.077","","","","has coordinates,has disorder","196937","2020-10-21","18:00:00",""
"7228534","24.377","0.003","9.1545","0.001","15.859","0.002","90","","90","","90","","3539.1","0.7","93","","93","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H27 F6 Ir N5 P S2 -","- C38 H27 F6 Ir N5 P S2 -","- C152 H108 F24 Ir4 N20 P4 S8 -","4","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Zysman-Colman, Eli","Simple design to achieve red-to-near-infrared emissive cationic Ir(iii) emitters and their use in light emitting electrochemical cells","RSC Adv.","2017","7","51","31833","","10.1039/C7RA06347D","","","0.71075","MoKα","","0.02","0.0185","","","0.036","0.0362","","","","","","0.841","","","","has coordinates","198069","2020-10-21","18:00:00",""
"7228542","5.42","","5.42","","5.42","","90","","90","","90","","159.22","","","","","","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","1","","El Mendili, Y.; Abdelouas, A.; Bardeau, J.-F.","Impact of a sulphidogenic environment on the corrosion behavior of carbon steel at 90 °C","RSC Advances","2013","3","35","15148","15156","10.1039/C3RA42221F","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7228621","6.1002","0.0003","7.3335","0.0004","36.4538","0.0018","90","","90","","90","","1630.79","0.14","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4-chlorobenzylidene-4'-pentyloxyaniline","4-chlorobenzylidene-4'-pentyloxyaniline","","- C18 H20 Cl N O -","- C18 H20 Cl N O -","- C72 H80 Cl4 N4 O4 -","4","1","","Yamamura, Yasuhisa; Murakoshi, Takahito; Iwagaki, Sakiko; Osiecka, Natalia; Galewski, Zbigniew; Saitoh, Hideki; Hishida, Mafumi; Massalska-Arodz, Maria; SAITO, Kazuya","Structure and molecular packing in smectic BCr and Ad phases of Schiff base liquid crystal compounds through analyses of layer spacing, entropy and crystal structure","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP03863A","","","0.71073","MoKα","","0.0561","0.0389","","","0.1042","0.1128","","","","","","1.083","","","","has coordinates","198358","2020-10-21","18:00:00",""
"7228895","11.0371","0.0013","13.1237","0.0016","10.6684","0.0012","90","","90","","90","","1545.3","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H4 F2 N8 O11 -","- C8 H4 F2 N8 O11 -","- C32 H16 F8 N32 O44 -","4","1","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0674","0.0615","","","0.1542","0.1593","","","","","","1.074","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228897","10.9222","0.0018","13.057","0.002","10.5202","0.0017","90","","90","","90","","1500.3","0.4","130","","130","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H4 F2 N8 O11 -","- C8 H4 F2 N8 O11 -","- C32 H16 F8 N32 O44 -","4","1","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0383","0.0322","","","0.0795","0.0828","","","","","","1.055","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228920","19.61921","0.00015","8.74681","0.00005","27.9462","0.0002","90","","90","","90","","4795.72","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","N2,N6-bis(2-(2-nitrobenzamido)phenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C49 H59 F N8 O8 -","- C49 H59 F N8 O8 -","- C196 H236 F4 N32 O32 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0425","0.0418","","","0.121","0.1219","","","","","","1.06","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228982","22.958","0.002","7.0548","0.0006","19.5831","0.0017","90","","90","","90","","3171.8","0.5","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H22 Fe N4 O2 -","- C17 H22 Fe N4 O2 -","- C136 H176 Fe8 N32 O16 -","8","2","","Tang, Yun-Zhi; Liu, Yi; Gao, Ji-Xing; Wang, Chang-Feng; Wang, Bin; Tan, Yu-Hui; Wen, He-Rui","Reversible structural phase transition, ferroelectric and switchable dielectric properties of an adduct molecule of hexamethylenetetramine ferrocene carboxylic acid","RSC Adv.","2017","7","66","41369","","10.1039/C7RA06429B","","","0.71073","MoKα","","0.0354","0.0335","","","0.0767","0.0777","","","","","","1.064","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7229051","16.521","0.005","8.034","0.003","11.901","0.004","90","","90","","90","","1579.6","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H14 Ag3 N5 O12 -","- C6 H14 Ag3 N5 O12 -","- C24 H56 Ag12 N20 O48 -","4","1","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.0506","0.0466","","","0.1156","0.1215","","","","","","1.002","","","","has coordinates,has disorder","200158","2020-10-21","18:00:00",""
"7229225","22.5633","0.0011","10.2111","0.0005","13.1867","0.0005","90","","90","","90","","3038.2","0.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H22 N2 O4 -","- C13 H22 N2 O4 -","- C104 H176 N16 O32 -","8","2","","de Robillard, G.; Fournier, A. H.; Cattey, H.; Devillers, C. H.; Andrieu, J.","Bio-based 1,3-diisobutyl imidazolium hydrogen oxalate [iBu2IM](HC2O4) as CO2 shuttle","Green Chem.","2017","","","","","10.1039/C7GC02167D","","","0.71073","MoKα","","0.0581","0.0379","","","0.0744","0.0805","","","","","","1.014","","","","has coordinates,has disorder","206489","2020-10-21","18:00:00",""
"7229261","10.8318","0.0005","6.4924","0.0003","17.1002","0.0007","90","","90","","90","","1202.56","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H10 Cu2 N8 S2 -","- C6 H10 Cu2 N8 S2 -","- C24 H40 Cu8 N32 S8 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.048","0.0464","","","0.1118","0.1144","","","","","","1.084","","","","has coordinates","201540","2020-10-21","18:00:00",""
"7229264","18.544","0.002","15.174","0.002","28.663","0.003","90","","90","","90","","8065.4","1.6","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C448 H352 O32 -","16","4","","Zhang, Liang; Liu, Jie; Gao, Junkuo; Lu, Rong; Liu, Fang","Adjustment of the solid fluorescence of a chalcone derivative through controlling steric hindrance","RSC Adv.","2017","7","73","46354","","10.1039/C7RA09122B","","","0.71073","MoKα","","0.1442","0.0852","","","0.2181","0.2691","","","","","","0.974","","","","has coordinates","201550","2020-10-21","18:00:00",""
"7229396","21.157","0.004","4.9633","0.0009","19.59","0.003","90","","90","","90","","2057.1","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Ethoxy salophen","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Khan, Tuhin; Datta, Anindya","Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05429G","","","0.71073","MoKα","","0.1201","0.0762","","","0.1572","0.1921","","","","","","1.066","","","","has coordinates","202346","2020-10-21","18:00:00",""
"7230161","26.166","0.005","10.162","0.002","8.6509","0.0017","90","","90","","90","","2300.3","0.8","104.66","0.14","104.66","0.14","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H25 Cl3 N O Rh -","- C23 H25 Cl3 N O Rh -","- C92 H100 Cl12 N4 O4 Rh4 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","0.71073","MoKα","","0.0323","0.031","","","0.0757","0.0765","","","","","","1.078","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230164","17.5282","0.0005","11.548","0.0003","13.785","0.0004","90","","90","","90","","2790.3","0.13","99.99","0.1","99.99","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H32 Ir N O -","- C36 H32 Ir N O -","- C144 H128 Ir4 N4 O4 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","0.71073","MoKα","","0.0276","0.0233","","","0.0469","0.049","","","","","","1.051","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230290","6.9086","0.0003","17.9665","0.0007","9.184","0.0003","90","","90","","90","","1139.95","0.08","111","2","110.96","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Naphthylethylammonium Formate","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0313","0.0299","","","0.0793","0.081","","","","","","1.04","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230497","10.203","0.002","9.936","0.002","7.3949","0.0015","90","","90","","90","","749.7","0.3","153","2","153.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","RbNTZF","RbNTZF","","- C3 N7 O3 Rb -","- C3 N7 O3 Rb -","- C12 N28 O12 Rb4 -","4","1","","Han, Zhiyue; Jiang, Qi; Du, Zhiming; Zhang, Yupeng; Yang, Yuezhen","3-Nitro-4-(tetrazol-5-yl) furazan: theoretical calculations, synthesis and performance","RSC Advances","2018","8","26","14589","","10.1039/C8RA02682C","","","0.71073","MoKα","","0.0328","0.0304","","","0.1012","0.1247","","","","","","1.33","","","","has coordinates","207390","2020-10-21","18:00:00",""
"7230498","10.376","0.002","10.128","0.002","7.6675","0.0015","90","","90","","90","","805.8","0.3","153","2","153.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C3 Cs N7 O3 -","- C3 Cs N7 O3 -","- C12 Cs4 N28 O12 -","4","1","","Han, Zhiyue; Jiang, Qi; Du, Zhiming; Zhang, Yupeng; Yang, Yuezhen","3-Nitro-4-(tetrazol-5-yl) furazan: theoretical calculations, synthesis and performance","RSC Advances","2018","8","26","14589","","10.1039/C8RA02682C","","","0.71073","MoKα","","0.0497","0.037","","","0.1064","0.18","","","","","","1.689","","","","has coordinates","207390","2020-10-21","18:00:00",""
"7230677","13.8355","0.0003","15.0442","0.0003","15.9034","0.0003","90","","90","","90","","3310.2","0.12","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H17 I N4 O -","- C17 H17 I N4 O -","- C136 H136 I8 N32 O8 -","8","2","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.031","0.0251","","","0.056","0.0578","","","","","","1.054","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230792","25.9879","0.0008","9.8507","0.0003","26.893","0.0011","90","","90","","90","","6884.6","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C54 H65 N14 S6 -","- C54 H65 N14 S6 -","- C216 H260 N56 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.0951","0.0715","","","0.191","0.2072","","","","","","1.1","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230805","20.7011","0.0017","6.2155","0.0004","18.0683","0.0013","90","","90","","90","","2324.8","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","3-({3-[(3-Hydroxy-naphthalen-2-ylmethylene)-amino]-naphthalen-2-ylamino}-methylene)-3<i>H</i>-naphthalen-2-one","3-({3-[(3-Hydroxy-naphthalen-2-ylmethylene)-amino]-naphthalen-2-ylamino}-methylene)-3<i>H</i>-naphthalen-2-one","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Rahman, Mohammed M.; Sheikh, Tahir Ali; El-Shishtawy, Reda M.; Arshad, Muhammad Nadeem; Al-Zahrani, Fatimah A. M.; Asiri, Abdullah M.","Fabrication of Sb3+ sensor based on 1,1′-(-(naphthalene-2,3-diylbis(azanylylidene))bis(methanylylidene))bis(naphthalen-2-ol)/nafion/glassy carbon electrode assembly by electrochemical approach","RSC Advances","2018","8","35","19754","","10.1039/C8RA01827H","","","0.71073","MoKα","","0.1126","0.0543","","","0.1103","0.1369","","","","","","1.042","","","","has coordinates","208025","2020-10-21","18:00:00",""
"7230895","20.6565","0.0013","4.9157","0.0003","16.516","0.001","90","","90","","90","","1677.05","0.18","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H19 N5 O4 -","- C16 H19 N5 O4 -","- C64 H76 N20 O16 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0677","0.0386","","","0.0584","0.0627","","","","","","0.806","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230911","25.998","0.003","8.5054","0.0012","7.748","0.0011","90","","90","","90","","1713.3","0.4","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","1","","Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh","Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.","Physical chemistry chemical physics : PCCP","2018","20","28","19120","19128","10.1039/c8cp01023d","","","0.71073","MoKα","","0.0644","0.0471","","","0.1161","0.1271","","","","","","1.058","","","","has coordinates","230899","2020-10-21","18:00:00",""
"7231566","18.6545","0.0012","14.0357","0.0008","15.6154","0.001","90","","90","","90","","4088.6","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H26 Cl4 Mn2 N7 O13 -","- C36 H26 Cl4 Mn2 N7 O13 -","- C144 H104 Cl16 Mn8 N28 O52 -","4","1","","Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.","Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds","CrystEngComm","2018","20","41","6629","","10.1039/C8CE01194J","","","0.71073","MoKα","","0.0753","0.07","","","0.1856","0.1907","","","","","","1.084","","","","has coordinates","228921","2020-10-21","18:00:00",""
"7231922","30.935","0.004","3.8492","0.0005","13.9128","0.0019","90","","90","","90","","1656.7","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H3 N S3 -","- C8 H3 N S3 -","- C64 H24 N8 S24 -","8","2","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0416","0.0374","","","0.0811","0.0828","","","","","","1.047","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231924","14.1394","0.0006","4.065","0.0001","24.6729","0.001","90","","90","","90","","1418.12","0.09","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 N S6 -","- C13 H7 N S6 -","- C52 H28 N4 S24 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0369","0.0333","","","0.0812","0.0829","","","","","","1.027","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7232052","9.888","0.0012","7.9929","0.0009","15.162","0.0018","90","","90","","90","","1198.3","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","isonicotinamide","4-pyridinecarboxamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Vicatos, Alexios I.; Caira, Mino R.","A new polymorph of the common coformer isonicotinamide","CrystEngComm","2019","21","5","843","","10.1039/C8CE01588K","","","0.71073","MoKα","","0.0564","0.0532","","","0.1414","0.1455","","","","","","1.035","","","","has coordinates","223547","2020-10-21","18:00:00",""
"7232134","13.4813","0.0004","8.2397","0.0003","6.9346","0.0002","90","","90","","90","","770.31","0.04","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","DBN-CO2","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0459","0.0448","","","0.1153","0.1162","","","","","","1.12","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232153","17.5338","0.0008","10.4983","0.0005","28.7697","0.0011","90","","90","","90","","5295.8","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13.2 H9.8 I2 N4.6 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0552","0.0424","","","0.1042","0.1122","","","","","","1.081","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232212","17.371","0.004","5.308","0.0011","11.633","0.002","90","","90","","90","","1072.6","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 O Se -","- C14 H8 N2 O Se -","- C56 H32 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","","0.71092","Synchrotron","","0.0279","0.0271","","","0.0746","0.0751","","","","","","1.129","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232213","11.7848","0.0003","4.5869","0.0001","21.3572","0.0005","90","","90","","90","","1154.48","0.05","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0452","0.0331","","","0.0761","0.0793","","","","","","1.063","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232230","13.169","0.0012","4.4889","0.0004","20.4829","0.0018","90","","90","","90","","1210.83","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0912","0.0505","","","0.1119","0.1284","","","","","","1.003","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232250","14.869","0.003","11.888","0.002","13.86","0.003","90","","90","","90","","2449.9","0.8","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H24 N6 Ni Se7.5 Sn3 -","- C6 H16 N6 Ni Se7.5 Sn3 -","- C24 H64 N24 Ni4 Se30 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0678","0.0434","","","0.0842","0.1012","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232503","17.5573","0.001","6.3237","0.0004","33.7271","0.0019","90","","90","","90","","3744.6","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H22 N4 O3 -","- C21 H22 N4 O3 -","- C168 H176 N32 O24 -","8","2","","Ortega-Villarreal, Ana Sofia; Hernández-Fernández, Eugenio; Jensen, Christopher; Valdivia-Berroeta, Gabriel A.; Garrard, Samuel; López, Israel; Smith, Stacey J.; Christensen, Kenneth A.; Reyes-González, Miguel A.; Michaelis, David J.","Synthesis and characterization of ethyl benzotriazolyl acrylate-based D‒π‒A fluorophores for live cell-based imaging applications","RSC Advances","2019","9","16","8759","","10.1039/C9RA00108E","","","1.54178","CuKα","","0.0382","0.0362","","","0.0945","0.0958","","","","","","1.058","","","","has coordinates","214183","2020-10-21","18:00:00",""
"7232873","8.604","0.0007","10.0578","0.0008","9.1461","0.0008","90","","90","","90","","791.48","0.11","229","2","229","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C16 H24 F24 O8 -","8","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0845","0.0331","","","0.0868","0.1058","","","","","","0.875","","","","has coordinates","223666","2020-10-21","18:00:00",""
"7233586","16.74","0.005","12.432","0.005","9.236","0.003","90","","90","","90","","1922.1","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Yujian Zhang; Jingwei Sun; Guilin Zhuang; Mi Ouyang; Zhenwei Yu; Feng Cao; Guoxiang Pan; Peisong Tang; Cheng Zhang; Yuguang Ma","Heating and mechanical force-induced luminescence on–off switching of arylamine derivatives with highly distorted structures","Journal of Materials Chemistry C","2014","2","","195","200","10.1039/C3TC31416B","","","0.71073","MoKα","","0.0669","0.0384","","","0.0799","0.091","","","","","","0.996","","","","has coordinates","217875","2020-10-21","18:00:00",""
"7233891","13.7842","0.0019","20.256","0.003","24.952","0.003","90","","90","","90","","6966.9","1.6","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H52 Dy4 N26 O23 -","- C54 H52 Dy4 N26 O23 -","- C216 H208 Dy16 N104 O92 -","4","1","","Peng-Hu Guo; Yan Meng; Yan-Cong Chen; Quan-Wen Li; Bao-Ying Wang; Ji-Dong Leng; Ding-Hua Bao; Jian-Hua Jia; Ming-Liang Tong","A zigzag DyIII4 cluster exhibiting single-molecule magnet, ferroelectric and white-light emitting properties","Journal of Materials Chemistry C","2014","2","","8858","8864","10.1039/C4TC01275E","","","0.71073","MoKα","","0.0637","0.0391","","","0.0701","0.0772","","","","","","1.084","","","","has coordinates","218348","2020-10-21","18:00:00",""
"7234557","18.3359","0.0005","6.60183","0.00017","7.6049","0.0002","90","","90","","90","","920.58","0.04","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Dy N2 O8 -","- C4 H9 Dy N2 O8 -","- C16 H36 Dy4 N8 O32 -","4","1","","Maciej Ptak; Miroslaw Maczka; Anna Gagor; Pawel Gluchowski; Lucyna Macalik","Synthesis, structure and optical properties of two novel luminescent polar dysprosium metal-organic frameworks: [(CH3)2NH2][Dy(HCOO)4] and [N2H5][Dy(HCOO)4]","Journal of Materials Chemistry C","2016","4","","1019","1028","10.1039/C5TC04264J","","","0.7107","MoKα","","0.0151","0.0147","","","0.0375","0.0377","","","","","","1.116","","","","has coordinates","219290","2020-10-21","18:00:00",""
"7234689","7.4367","0.0015","6.2803","0.0013","35.03","0.007","90","","90","","90","","1636.1","0.6","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Jie Liu; Weigang Zhu; Ke Zhou; Zongrui Wang; Ye Zou; Qing Meng; Jie Li; Yonggang Zhen; Wenping Hu","Pyridyl-substituted anthracene derivatives with solid-state emission and charge transport properties","Journal of Materials Chemistry C","2016","4","","3621","3627","10.1039/C6TC00499G","","","0.71073","MoKα","","0.1004","0.0816","","","0.1974","0.2145","","","","","","0.997","","","","has coordinates","219399","2020-10-21","18:00:00",""
"7234724","23.809","0.004","13.756","0.003","7.2297","0.0012","90","","90","","90","","2367.8","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Nelson002","","- C29 H21 F2 N O4 -","- C29 H21 F2 N O4 -","- C116 H84 F8 N4 O16 -","4","1","","Subhashini Selvaraju; Santosh Adhikari; RaiAnna A. Hopson; Shuo Dai; Arnold L. Rheingold; Mario F. Borunda; Toby L. Nelson","Effects of structural variations on the optical and electronic properties of eumelanin-inspired small molecules","Journal of Materials Chemistry C","2016","4","","3995","3999","10.1039/C5TC03982G","","","0.71073","MoKα","","0.1051","0.0671","","","0.1461","0.1652","","","","","","0.942","","","","has coordinates","219423","2020-10-21","18:00:00",""
"7234906","12.279","0.003","16.264","0.003","36.106","0.007","90","","90","","90","","7211","3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C384 H272 N32 -","8","2","","Chuan Li; Muddasir Hanif; Xianglong Li; Shitong Zhang; Zengqi Xie; Linlin Liu; Bing Yang; Shijian Su; Yuguang Ma","Effect of cyano-substitution in distyrylbenzene derivatives on their fluorescence and electroluminescence properties","Journal of Materials Chemistry C","2016","4","","7478","7484","10.1039/C6TC01886F","","","0.71073","MoKα","","0.2423","0.0531","","","0.0843","0.1358","","","","","","0.823","","","","has coordinates","222523","2020-10-21","18:00:00",""
"7235013","17.199","0.002","9.8597","0.0013","16.463","0.002","90","","90","","90","","2791.7","0.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H22 N12 Ni O2 S2 -","- C26 H22 N12 Ni O2 S2 -","- C104 H88 N48 Ni4 O8 S8 -","4","1","","Lin Sun; Sheng Zhang; Sanping Chen; Bing Yin; Yichen Sun; Zhenxing Wang; Zhongwen Ouyang; Jianlin Ren; Wenyuan Wang; Qing Wei; Gang Xie; Shengli Gao","A two-dimensional cobalt(ii) network with a remarkable positive axial anisotropy parameter exhibiting field-induced single-ion magnet behavior","Journal of Materials Chemistry C","2016","4","","7798","7808","10.1039/C6TC02234K","","","0.71073","MoKα","","0.0605","0.046","","","0.1173","0.1279","","","","","","1.049","","","","has coordinates","227652","2020-10-21","18:00:00",""
"7235014","17.246","0.007","9.876","0.004","16.48","0.007","90","","90","","90","","2807","2","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H22 Co N12 O2 S2 -","- C26 H22 Co N12 O2 S2 -","- C104 H88 Co4 N48 O8 S8 -","4","1","","Lin Sun; Sheng Zhang; Sanping Chen; Bing Yin; Yichen Sun; Zhenxing Wang; Zhongwen Ouyang; Jianlin Ren; Wenyuan Wang; Qing Wei; Gang Xie; Shengli Gao","A two-dimensional cobalt(ii) network with a remarkable positive axial anisotropy parameter exhibiting field-induced single-ion magnet behavior","Journal of Materials Chemistry C","2016","4","","7798","7808","10.1039/C6TC02234K","","","0.71073","MoKα","","0.1992","0.0923","","","0.2039","0.2491","","","","","","0.913","","","","has coordinates","227652","2020-10-21","18:00:00",""
"7235352","18.74123","0.00011","9.94915","0.00007","18.52083","0.00011","90","","90","","90","","3453.38","0.04","120","","120","","","","","","","","Synthetic","4","P c a 21","P 2c -2ac","29","","4,4'-(buta-1,3-diyne-1,4-diyl)bis(N,N-bis(4-methoxyphenyl)aniline)","","- C44 H36 N2 O4 -","- C44 H36 N2 O4 -","- C176 H144 N8 O16 -","4","1","","Planells, Miquel; Abate, Antonio; Hollman, Derek J.; Stranks, Samuel D.; Bharti, Vishal; Gaur, Jitender; Mohanty, Dibyajyoti; Chand, Suresh; Snaith, Henry J.; Robertson, Neil","Diacetylene bridged triphenylamines as hole transport materials for solid state dye sensitized solar cells","Journal of Materials Chemistry A","2013","1","23","6949","","10.1039/c3ta11417a","","x-ray","1.54184","CuKα","","0.0273","0.027","","0.0592","0.0589","0.0592","","","","","","1.0124","","","","has coordinates","232714","2020-10-21","18:00:00",""
"7235388","17.315","0.004","8.8212","0.0018","19.147","0.004","90","","90","","90","","2924.5","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H F N -","- C2.12245 H1.30612 F0.489796 N1.46939 -","- C104 H64 F24 N72 -","49","12.25","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.1394","0.0904","","","0.222","0.2563","","","","","","1.021","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235446","18.5154","0.0018","9.8382","0.0009","19.301","0.002","90","","90","","90","","3515.8","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H34 N4 O10 V2 -","- C36 H34 N4 O10 V2 -","- C144 H136 N16 O40 V8 -","4","1","","Patra, Debashis; Biswas, Nirmalendu; Mondal, Bipul; Mitra, Partha; Drew, Michael G. B.; Ghosh, Tapas","Electronic effects of para substituents of 2-hydroxybenzaldehyde co-ligands in a family of hydrazonato-oxidovanadium(v) complexes","RSC Advances","2014","4","42","22022","","10.1039/c4ra00139g","","","0.71073","MoKα","","0.0353","0.0286","","","0.0655","0.0686","","","","","","1.03","","","","has coordinates","233040","2020-10-21","18:00:00",""
"7235930","15.285","0.003","18.355","0.004","7.596","0.0016","90","","90","","90","","2131.1","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H18 Br N O2 -","- C26 H18 Br N O2 -","- C104 H72 Br4 N4 O8 -","4","1","","Zhang, Jungui; Yao, Juan; Liu, Jiaming; Xue, Shuwen; Li, Yang; Wang, Cunde","Four-component reaction between naphthols, substituted β-nitrostyrenes, substituted benzaldehydes and ammonium acetate in water‒PEG-400: an approach to construct polysubstituted naphthofuranamines","RSC Advances","2015","5","60","48580","","10.1039/C5RA07642K","","","0.71073","MoKα","","0.1696","0.0888","","","0.2049","0.2461","","","","","","1.023","","","","has coordinates","233763","2020-10-21","18:00:00",""
"7236128","16.562","0.009","5.114","0.003","25.032","0.014","90","","90","","90","","2120","2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N8 O7 -","- C5 H4 N8 O7 -","- C40 H32 N64 O56 -","8","2","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","C‒N bonded energetic biheterocyclic compounds with good detonation performance and high thermal stability","Journal of Materials Chemistry A","2016","4","10","3879","","10.1039/C5TA09803C","","","0.71073","MoKα","","0.1055","0.0447","","","0.077","0.0984","","","","","","0.894","","","","has coordinates,has disorder","233944","2020-10-21","18:00:00",""
"7236287","22.15","0.004","5.97","0.001","15.611","0.003","90","","90","","90","","2064.3","0.6","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H23 Cl N2 O3 -","- C24 H23 Cl N2 O3 -","- C96 H92 Cl4 N8 O12 -","4","1","","Zhao, Hong-Wu; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Feng, Ning-Ning; Pang, Hai-Liang; Chen, Xiao-Qin; Song, Xiu-Qing; Du, Juan","Facile access to novel 1,2,4-oxadiazinan-5-ones via [3 + 3] cycloaddition of in situ generated azaoxyallyl cations with nitrones","RSC Advances","2017","7","21","12916","","10.1039/C6RA27440D","","","0.71073","MoKα","","0.0231","0.0221","","","0.0583","0.0588","","","","","","1.041","","","","has coordinates","235353","2020-10-21","18:00:00",""
"7236476","17.61694","0.0002","7.56666","0.00009","14.878","0.0002","90","","90","","90","","1983.26","0.04","183","1","183","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","trichloro[1-(9,9-dimethyl-9H-fluoren-1-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-yl]-gold(iii)","","- C19 H18 Au Cl3 N2 -","- C19 H18 Au Cl3 N2 -","- C76 H72 Au4 Cl12 N8 -","4","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","x-ray","0.71073","MoKα","","0.0167","0.0149","","","0.0325","0.0333","","","","","","1.036","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236601","19.028","0.006","7.932","0.003","13.915","0.005","90","","90","","90","","2100.2","1.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","MT3II","3-methyl-1-(thiophen-3-yl)-1H-imidazol-3-ium iodide","","- C8 H9 I N2 S -","- C8 H9 I N2 S -","- C64 H72 I8 N16 S8 -","8","2","","Zhang, Meirong; Jin, Zhitong; Feng, Chuanqi; Wang, Min; Wang, Zhong-Sheng","Phenyl and thienyl functionalized imidazolium iodides for highly efficient quasi-solid-state dye-sensitized solar cells","Journal of Materials Chemistry A","2017","5","32","16976","","10.1039/C7TA04717G","","","0.71073","MoKα","","0.034","0.03","","","0.0842","0.0866","","","","","","1.091","","","","has coordinates,has disorder","236346","2020-10-21","18:00:00",""
"7236662","12.9567","0.0012","6.4248","0.0008","9.6417","0.001","90","","90","","90","","802.62","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H2 N8 O4 -","- C4 H2 N8 O4 -","- C16 H8 N32 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.0964","0.0498","","","0.0801","0.0926","","","","","","1.027","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236663","45.902","0.005","3.5862","0.0004","8.3346","0.0009","90","","90","","90","","1372","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H13 N15 O4 -","- C6 H13 N15 O4 -","- C24 H52 N60 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.1317","0.0584","","","0.0817","0.0981","","","","","","1.037","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236957","15.6931","0.0004","10.3418","0.0003","15.164","0.0004","90","","90","","90","","2461.04","0.12","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H20 Cd N4 O11 -","- C24 H16 Cd N4 O10.9999 -","- C96 H64 Cd4 N16 O43.9996 -","4","1","","Sui, Qi; Yuan, Ye; Yang, Ning-Ning; Li, Xin; Gong, Teng; Gao, En-Qing; Wang, Lin","Coordination-modulated piezochromism in metal‒viologen materials","Journal of Materials Chemistry C","2017","5","47","12400","","10.1039/C7TC04208F","","","1.54178","CuKα","","0.0375","0.0362","","","0.1048","0.1057","","","","","","1.094","","","","has coordinates","236667","2020-10-21","18:00:00",""
"7237135","7.7033","0.0006","19.087","0.0012","13.1208","0.0009","90","","90","","90","","1929.2","0.2","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 N8 O6 -","- C6 N8 O6 -","- C48 N64 O48 -","8","2","","He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Boosting energetic performance by trimerizing furoxan","Journal of Materials Chemistry A","2018","6","20","9391","","10.1039/C8TA02274G","","","1.54178","CuKα","","0.1619","0.1092","","","0.256","0.3067","","","","","","1.024","","","","has coordinates","237442","2020-10-21","18:00:00",""
"7237191","9.893","0.003","18.586","0.006","9.943","0.003","90","","90","","90","","1828.2","1","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H3 N5 O6 -","- C7 H3 N5 O6 -","- C56 H24 N40 O48 -","8","2","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.1138","0.0566","","","0.1061","0.1275","","","","","","1.04","","","","has coordinates,has disorder","237472","2020-10-21","18:00:00",""
"7237607","21.676","0.004","11.875","0.002","12.363","0.003","90","","90","","90","","3182.3","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C35 H35 Br N4 O3 -","- C35 H35 Br N4 O3 -","- C140 H140 Br4 N16 O12 -","4","1","","Jiang, Daoyong; Xue, Xingying; Zhang, Guoning; Wang, Yucheng; Zhang, Han; Feng, Chao; Wang, Zhifei; Zhao, Hong","Simple and efficient rhodamine-derived VO2+ and Cu2±responsive colorimetric and reversible fluorescent chemosensors toward the design of multifunctional materials","Journal of Materials Chemistry C","2019","7","12","3576","","10.1039/C8TC06296J","","","0.71073","MoKα","","0.0765","0.0507","","","0.1005","0.1118","","","","","","1.072","","","","has coordinates","237800","2020-10-21","18:00:00",""
"7237913","17.6736","0.0002","20.21","0.0002","16.2807","0.0001","90","","90","","90","","5815.2","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C58 H67 Ir N4 O4 Pt -","- C58 H67 Ir N4 O4 Pt -","- C232 H268 Ir4 N16 O16 Pt4 -","4","1","","Shafikov, Marsel Z.; Tang, Shi; Larsen, Christian; Bodensteiner, Michael; Kozhevnikov, Valery N.; Edman, Ludvig","An efficient heterodinuclear Ir(iii)/Pt(ii) complex: synthesis, photophysics and application in light-emitting electrochemical cells","Journal of Materials Chemistry C","2019","7","34","10672","","10.1039/C9TC02930C","","x-ray","1.54184","CuKα","","0.0276","0.027","","","0.07","0.0707","","","","","","1.021","","","","has coordinates,has disorder","238742","2020-10-21","18:00:00",""
"7237969","19.6702","0.0007","10.3189","0.0005","17.1073","0.0008","90","","90","","90","","3472.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","BTCMA","","- C71 H8 S -","- C71 H8 S -","- C284 H32 S4 -","4","1","","Tian, Chengbo; Chen, Miaomiao; Tian, Hanrui; Nan, Ziang; Liang, Yuming; Wei, Zhanhua","Tuning the molecular packing and energy levels of fullerene acceptors for polymer solar cells","Journal of Materials Chemistry C","2019","7","40","12688","","10.1039/C9TC04111G","","x-ray","1.54184","CuKα","","0.0834","0.0785","","","0.2198","0.2238","","","","","","1.078","","","","has coordinates,has disorder","238802","2020-10-21","18:00:00",""
"7238462","21.761","0.004","14.877","0.002","10.4238","0.0017","90","","90","","90","","3374.6","0.9","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C8 H40 N8 O28 S7 Sm2 -","- C8 H40 N8 O28 S7 Sm2 -","- C32 H160 N32 O112 S28 Sm8 -","4","1","","Zhang, Deng; Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Zhu, Dunru","Structural systematic design of organic templated samarium sulfates and their luminescence property","RSC Adv.","2012","2","1","217","","10.1039/C1RA00749A","","","0.71073","MoKα","","0.0429","0.0325","","","0.0654","0.0688","","","","","","1.019","","","","has coordinates","244183","2020-10-21","18:00:00",""
"7238659","25.542","0.005","9.4168","0.0019","6.0399","0.0012","90","","90","","90","","1452.7","0.5","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H8 Cl F3 N2 S -","- C14 H8 Cl F3 N2 S -","- C56 H32 Cl4 F12 N8 S4 -","4","1","","Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza","Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions","RSC Advances","2012","2","13","5610","","10.1039/c2ra20624b","","","0.71073","MoKα","","0.107","0.0505","","","0.1211","0.1331","","","","","","0.767","","","","has coordinates","244275","2020-10-21","18:00:00",""
"7238668","10.0436","0.0005","14.5106","0.0008","9.4623","0.0005","90","","90","","90","","1379.02","0.13","296","2","296","2","","","","","","","Synthesised","4","P c a 21","P 2c -2ac","29","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Thalluri, Kishore; Nadimpally, Krishna Chaitanya; Paul, Ashim; Mandal, Bhubaneswar","Waste reduction in amide synthesis by a continuous method based on recycling of the reaction mixture","RSC Advances","2012","2","17","6838","","10.1039/c2ra20643a","","x-ray","0.71073","MoKα","","0.1304","0.0521","","","0.1182","0.1419","","","","","","0.595","","","","has coordinates","244278","2020-10-21","18:00:00",""
"7238727","14.06","0.005","17.548","0.006","7.824","0.003","90","","90","","90","","1930.4","1.2","293","2","293","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.1531","0.0528","","","0.0875","0.1156","","","","","","0.989","","","","has coordinates","244318","2020-10-21","18:00:00",""
"7238782","9.924","0.0011","12.4951","0.0014","8.6343","0.0009","90","","90","","90","","1070.7","0.2","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 N O5 P Zn -","- C9 H10 N O5 P Zn -","- C36 H40 N4 O20 P4 Zn4 -","4","1","","Chu, Wei; Zhu, Yan-Yu; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Jing; Sun, Shou-Hui; Tian, Hui; Zheng, Ming-Jing","Zinc(ii) and cadmium(ii) carboxyphosphonates with a 3D pillared-layered structure: synthesis, crystal structures, high thermal stabilities and luminescent properties","RSC Adv.","2013","3","2","623","","10.1039/C2RA22571A","","","0.71073","MoKα","","0.072","0.048","","","0.0847","0.0934","","","","","","1.036","","","","has coordinates","244349","2020-10-21","18:00:00",""
"7239224","26.01","0.005","6.636","0.0013","7.5136","0.0015","90","","90","","90","","1296.9","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","coanp","2-(Cyclo-octylamino)-5-nitropyridine","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Aboulfadl, Hanane; Bonin, Michel; Burgner, Matthias; Brahimi, Khadidja; Hulliger, Jürg","Molecular recognition at growing crystal faces revealed by phase sensitive second harmonic microscopy","RSC Advances","2013","3","47","25145","","10.1039/c3ra43641a","","","1.54184","CuKα","","0.0325","0.0308","","","0.0808","0.0814","","","","","","1.165","","","","has coordinates","244607","2020-10-21","18:00:00",""
"7239414","21.155","0.005","28.507","0.005","27.46","0.005","90","0.005","90","0.005","90","0.005","16560","6","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C144 H104 Cu8 Mo16 N40 O55 -","- C144 H104 Cu8 Mo16 N40 O55 -","- C576 H416 Cu32 Mo64 N160 O220 -","4","1","","Zhou, Shi; Liu, Bo; Chen, Ya-Guang; Li, Xiao-Min; Wang, Dong-Xiao","A hybrid compound based on octamolybdates and a rigid multidentate ligand: synthesis, structure and characterization","RSC Advances","2013","3","47","24910","","10.1039/c3ra45917a","","","0.71073","MoKα","","0.1085","0.0551","","","0.0895","0.1094","","","","","","0.983","","","","has coordinates","244691","2020-10-21","18:00:00",""
"7239834","12.7459","0.0003","10.8694","0.0002","18.1443","0.0004","90","","90","","90","","2513.72","0.09","150","2","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 S4 Sn2 -","- C22 H22 N2 S4 Sn2 -","- C88 H88 N8 S16 Sn8 -","4","1","","Kumar, Abhinav; Singh, Pooja; SINGH, AMITA; Singh, Ayushi; Singh, Ashish; Kociok-Kohn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.","New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses","CrystEngComm","2020","","","","","10.1039/C9CE01917K","","x-ray","0.71073","MoKα","","0.034","0.031","","","0.0745","0.0761","","","","","","1.09","","","","has coordinates","247276","2020-10-21","18:00:00",""
"7239938","56.364","0.003","15.9827","0.0009","6.1539","0.0003","90","","90","","90","","5543.7","0.5","293.52","0.16","293.52","0.16","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C320 H208 N16 -","8","2","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","x-ray","1.54184","CuKα","","0.1264","0.0887","","","0.2357","0.2664","","","","","","1.059","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239960","22.3909","0.0006","8.5089","0.0002","39.5465","0.0009","90","","90","","90","","7534.5","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H44 I10 N12 Ni2 Pb3 -","- C60 H44 I10 N12 Ni2 Pb3 -","- C240 H176 I40 N48 Ni8 Pb12 -","4","1","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0749","0.0474","","","0.1038","0.114","","","","","","1.046","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239965","19.5781","0.0011","9.864","0.0006","5.5937","0.0003","90","","90","","90","","1080.25","0.11","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","rac-mephenoxalone","rac-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","1.54178","CuKα","","0.0243","0.0238","","","0.0643","0.0648","","","","","","1.044","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7240290","34.428","0.005","3.812","0.0006","19.787","0.003","90","","90","","90","","2596.8","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C96 H112 N48 O16 -","16","4","","Zhang, Keke; Fellah, Noalle; Shtukenberg, Alexander G.; Fu, Xiaoyan; Hu, Chunhua; Ward, Michael D.","Discovery of new polymorphs of the tuberculosis drug isoniazid","CrystEngComm","2020","","","","","10.1039/D0CE00440E","","","0.71073","MoKα","","0.085","0.0515","","","0.105","0.1202","","","","","","1.027","","","","has coordinates","250517","2020-10-21","18:00:00",""
"7240318","18.629","0.003","5.2842","0.0008","22.841","0.004","90","","90","","90","","2248.5","0.6","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(DL)-malic acid nicotinamide","(R, S)-2-hydroxysuccinic acid nicotinamide","","- C20 H24 N4 O12 -","- C20 H24 N4 O12 -","- C80 H96 N16 O48 -","4","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0631","0.0477","","","0.113","0.1197","","","","","","1.08","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240366","22.8101","0.0009","7.5155","0.0003","24.7196","0.0018","90","","90","","90","","4237.7","0.4","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H20 Cl N5 O2 -","- C23 H20 Cl N5 O2 -","- C184 H160 Cl8 N40 O16 -","8","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0428","","","","0.1294","","","","","","1.075","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240444","20.486","0.002","3.9298","0.0004","13.6374","0.0012","90","","90","","90","","1097.89","0.18","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.0852","0.0542","","","0.1367","0.1603","","","","","","1.004","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240484","18.1884","0.0008","9.1975","0.0004","18.6788","0.0007","90","","90","","90","","3124.7","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(4-phenoxyphenyl)triphenylphosphonium bistriflimide","","- C32 H24 F6 N O5 P S2 -","- C32 H24 F6 N O5 P S2 -","- C128 H96 F24 N4 O20 P4 S8 -","4","1","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","1.54178","CuKα","","0.0313","0.0303","","","0.0805","0.0813","","","","","","1.092","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240506","15.0849","0.0007","4.7247","0.0002","11.2538","0.0004","90","","90","","90","","802.08","0.06","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0232","0.0191","","","0.0413","0.0422","","","","","","0.871","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240507","14.962","0.0007","4.5454","0.0002","10.9014","0.0005","90","","90","","90","","741.39","0.06","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0359","0.0287","","","0.0613","0.0625","","","","","","0.88","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240651","10.4097","0.0004","6.3878","0.0003","27.1688","0.0012","90","","90","","90","","1806.59","0.14","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H12 N O2 P -","- C8 H12 N O2 P -","- C64 H96 N8 O16 P8 -","8","2","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0433","0.0415","","","0.1078","0.109","","","","","","1.048","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240667","14.6085","0.0005","12.275","0.0004","10.4746","0.0004","90","","90","","90","","1878.3","0.11","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H28 N6 -","- C19 H28 N6 -","- C76 H112 N24 -","4","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0915","0.0795","","","0.1938","0.2022","","","","","","1.176","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240679","23.099","0.007","10.57","0.003","9.121","0.002","90","","90","","90","","2227","1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H21 Cl N2 O -","- C29 H21 Cl N2 O -","- C116 H84 Cl4 N8 O4 -","4","1","","Zhang, Yuanfei; Huang, Ting; Li, Xinghua; Zhang, Min; Song, Ying; Huang, Kelin; Su, Weiping","Rh(iii)-catalyzed spiroannulation of 3-arylquinoxalin-2(1H)-ones with alkynes: practical access to spiroquinoxalinones","RSC Advances","2020","10","37","22216","22221","10.1039/D0RA03348K","","","0.71073","MoKα","","0.1216","0.0494","","","0.1091","0.1467","","","","","","1.028","","","","has coordinates","257979","2020-10-21","18:00:00",""
"7240731","21.997","0.008","6.972","0.002","20.77","0.007","90","","90","","90","","3185.4","1.8","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","triethylamine picric acid salt","","","- C24 H36 N8 O14 -","- C24 H36 N8 O14 -","- C96 H144 N32 O56 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1399","0.077","","","0.1751","0.2159","","","","","","1.004","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240822","21.61","0.003","8.5291","0.0011","21.825","0.003","90","","90","","90","","4022.6","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","dibutylammonium diphenylacetate","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C176 H248 N8 O16 -","8","2","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.1038","0.0745","","","0.1342","0.1464","","","","","","1.057","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240964","7.0148","0.0014","17.582","0.004","14.402","0.003","90","","90","","90","","1776.3","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H18 N2 O3 S -","- C20 H18 N2 O3 S -","- C80 H72 N8 O12 S4 -","4","1","","Bhattacharjee, Suvam; Laru, Sudip; Samanta, Sadhanendu; Singsardar, Mukta; Hajra, Alakananda","Visible light-induced photocatalytic C‒H ethoxycarbonylmethylation of imidazoheterocycles with ethyl diazoacetate","RSC Advances","2020","10","47","27984","27988","10.1039/D0RA05795A","","","0.71073","MoKα","","0.0627","0.0416","","","0.1147","0.1402","","","","","","0.856","","","","has coordinates","258073","2020-10-21","18:00:00",""
"7241166","12.4203","0.0006","22.333","0.0008","28.082","0.0012","90","","90","","90","","7789.5","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C58 H32 Ca4 O16 -","- C58 H32 Ca4 O16 -","- C232 H128 Ca16 O64 -","4","1","","Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine","A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties","RSC Advances","2020","10","54","32323","32334","10.1039/D0RA05145D","","","0.71073","MoKα","","0.1054","0.0572","","","0.1402","0.1622","","","","","","1.003","","","","has coordinates","258130","2020-10-21","18:00:00",""
"7241304","33.557","0.0011","15.838","0.0005","20.0331","0.0006","90","","90","","90","","10647.1","0.6","298.15","","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C106 H73 Co6 N12 O22 -","- C106 H73 Co6 N12 O22 -","- C424 H292 Co24 N48 O88 -","4","1","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.1131","0.0544","","","0.1178","0.14","","","","","","1.005","","","","has coordinates,has disorder","256753","2020-10-21","18:00:00",""
"7241483","10.683","0.005","15.115","0.007","8.801","0.004","90","","90","","90","","1421.1","1.1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H9 F6 N O S -","- C11 H9 F6 N O S -","- C44 H36 F24 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0785","0.0376","","","0.079","0.0987","","","","","","1.047","","","","has coordinates,has disorder","259294","2020-11-29","02:34:19",""
"7241486","34.119","0.0014","5.5552","0.0003","32.3777","0.0013","90","","90","","90","","6136.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 N O S -","- C19 H15 N O S -","- C304 H240 N16 O16 S16 -","16","4","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1389","0.0721","","","0.1548","0.185","","","","","","1.031","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241531","29.813","0.006","4.787","0.002","9.861","0.002","90","0.03","90","0.03","90","0.03","1407.3","0.7","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","Nicorandil-Fumaric acid salt","","","- C12 H13 N3 O8 -","- C12 H13 N3 O8 -","- C48 H52 N12 O32 -","4","1","","Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand","Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation","CrystEngComm","2021","23","1","227","237","10.1039/D0CE01316A","","","0.71076","MoKα","","0.0307","0.0284","","","0.069","0.0706","","","","","","1.072","","","","has coordinates","261590","2021-02-04","22:56:21",""
"7241775","9.695","0.008","24.699","0.009","9.476","0.007","90","","90","","90","","2269","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-N'-(4-(?nyloxy)benzylidene)-2-phenylacetohydrazide","","- C24 H32 N2 O2 -","- C24 H32 N2 O2 -","- C96 H128 N8 O8 -","4","1","","Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.","Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies","CrystEngComm","2021","23","4","955","971","10.1039/D0CE01402H","","","0.71073","MoKα","","0.1398","0.0542","","","0.1035","0.1303","","","","","","1.005","","","","has coordinates","287885","2023-11-30","13:18:06",""
"7241963","25.053","0.0012","10.4016","0.0005","8.0082","0.0003","90","","90","","90","","2086.87","0.16","293","2","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","(Protonated proton sponge) triiodoplumbate, beta phase","(Protonated proton sponge) triiodoplumbate, beta phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C56 H76 I12 N8 Pb4 -","4","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","12","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241990","19.4366","0.0009","8.7643","0.0004","45.084","0.002","90","","90","","90","","7680","0.6","120","2","120.01","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C84 H64 Gd4 N4 O28 -","- C84 H64 Gd4 N4 O28 -","- C336 H256 Gd16 N16 O112 -","4","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","","0.71073","MoKα","","0.0897","0.0508","","","0.0842","0.0962","","","","","","1.005","","","","has coordinates,has disorder","262580","2021-03-05","01:47:30",""
"7242371","23.994","0.004","5.058","0.0009","20.359","0.003","90","","90","","90","","2470.8","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-(5-(4-Chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxy -3-methoxyphenyl)methylidene]-1,3-thiazole-4-carbohydrazide","","- C27 H22 Cl N5 O3 S -","- C27 H22 Cl N5 O3 S -","- C108 H88 Cl4 N20 O12 S4 -","4","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.1335","0.0465","","","0.0628","0.0779","","","","","","0.915","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242384","11.263","0.002","12.253","0.003","36.822","0.007","90","","90","","90","","5081.6","1.8","225","2","225","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","BDP-OH","","- C32 H22 B F2 N3 O2 -","- C32 H22 B F2 N3 O2 -","- C256 H176 B8 F16 N24 O16 -","8","2","","Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi","A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection","RSC Advances","2021","11","17","10154","10158","10.1039/D0RA10567H","","","0.7","synchrotron","","0.0864","0.0537","","","0.1316","0.1458","","","","","","0.972","","","","has coordinates,has disorder","262987","2021-03-11","05:31:07",""
"7242602","25.2543","0.001","5.1328","0.0002","9.8457","0.0004","90","","90","","90","","1276.25","0.09","150","2","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0462","0.0417","","","0.1054","0.1109","","","","","","1.099","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242728","16.306","0.005","6.98","0.002","15.165","0.006","90","","90","","90","","1726","1","99.9","0.2","99.9","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","2","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0588","0.0425","","","0.1079","0.1198","","","","","","1.056","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7243258","11.6333","0.0003","5.9869","0.0001","28.5029","0.001","90","","90","","90","","1985.15","0.09","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","DL-Phe.H2O2","","- C9 H13 N O3.9675 -","- C9 H13 N O3.9675 -","- C72 H104 N8 O31.74 -","8","2","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0446","0.0364","","","0.0836","0.0879","","","","","","1.052","","","","has coordinates,has disorder","268648","2021-09-06","10:24:01",""
"7243306","16.712","0.0011","7.8829","0.0004","34.6268","0.0019","90","","90","","90","","4561.7","0.5","296","2","296.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H21 B F2 I N3 -","- C24 H21 B F2 I N3 -","- C192 H168 B8 F16 I8 N24 -","8","2","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0639","0.0417","","","0.0925","0.1002","","","","","","1.043","","","","has coordinates","269684","2021-10-06","14:53:13",""
"7243372","25.1344","0.0012","3.8736","0.0001","11.9831","0.0005","90","","90","","90","","1166.68","0.08","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","","Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska","Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides","CrystEngComm","2021","23","34","5815","5825","10.1039/D1CE00642H","","","0.71073","MoKα","","0.0317","0.0238","","","0.0481","0.051","","","","","","1.01","","","","has coordinates","268694","2021-09-06","10:33:31",""
"7243392","16.8072","0.0009","16.4259","0.0008","24.7605","0.0015","90","","90","","90","","6835.7","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C74 H74 N8 O15 Zn2 -","- C74 H74 N8 O15 Zn2 -","- C296 H296 N32 O60 Zn8 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.1321","0.0415","","","0.0739","0.1085","","","","","","0.92","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243564","8.5942","0.0009","7.6284","0.0008","13.1321","0.0014","90","","90","","90","","860.94","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B5 H O9 Rb2 -","- B5 H O9 Rb2 -","- B20 H4 O36 Rb8 -","4","1","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0267","0.0223","","","0.0439","0.0449","","","","","","0.927","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243845","8.7755","0.0009","4.8774","0.0005","72.679","0.008","90","","90","","90","","3110.8","0.6","100","","100.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J.","Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03704H","","","0.71073","MoKα","","0.0822","0.0685","","","0.1784","0.1851","","","","","","1.081","","","","has coordinates","270322","2021-11-05","02:07:41",""
"7244013","8.519","0.003","6.85","0.002","8.309","0.003","90","","90","","90","","484.9","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C3 H10 B N -","- C3 H10 B N -","- C12 H40 B4 N4 -","4","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.0599","0.0479","","","0.1187","0.1291","","","","","","1.052","","","","has coordinates,has disorder","271137","2021-12-06","22:27:49",""
"7244023","23.2769","0.0007","13.9736","0.0004","19.3429","0.0006","90","","90","","90","","6291.5","0.3","296.15","","296.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C104 H164 Cu10 Mo44 N48 O178 P4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0597","0.0437","","","0.1062","0.1173","","","","","","1.084","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244266","35.1476","0.0007","7.20907","0.00013","16.4888","0.0003","90","","90","","90","","4177.96","0.14","120","0.2","120","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22.5 H25 Cl N5 O0.5 -","- C22.5 H25 Cl N5 O0.5 -","- C180 H200 Cl8 N40 O4 -","8","2","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0431","0.0379","","","0.092","0.0958","","","","","","1.056","","","","has coordinates","272181","2022-01-21","02:14:00",""
"7244405","15.8551","0.0003","15.1122","0.0003","23.9203","0.0005","90","","90","","90","","5731.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0289","0.0255","","","0.0652","0.0665","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244407","15.8587","0.0003","15.1167","0.0003","23.9409","0.0005","90","","90","","90","","5739.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0366","0.0302","","","0.0751","0.0772","","","","","","1.032","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244410","15.891","0.0005","15.1094","0.0005","23.9482","0.0007","90","","90","","90","","5750","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0329","0.0301","","","0.0787","0.0801","","","","","","1.044","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244412","15.8915","0.0006","15.1172","0.0006","23.9514","0.0009","90","","90","","90","","5754","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.032","0.0284","","","0.0735","0.075","","","","","","1.04","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244545","21.6035","0.0006","7.9904","0.0002","16.8357","0.0005","90","","90","","90","","2906.19","0.14","110","","110","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H20 O3 S -","- C15 H20 O3 S -","- C120 H160 O24 S8 -","8","2","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","0.71073","MoKα","","0.0599","0.0555","","","0.1589","0.1629","","","","","","1.07","","","","has coordinates,has disorder","274992","2022-05-05","20:37:58",""
"7244654","19.7085","0.0008","12.403","0.0006","32.0285","0.0014","90","","90","","90","","7829.2","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H48 Li N4 -","- C46 H48 Li N4 -","- C368 H384 Li8 N32 -","8","2","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","1.54184","CuKα","","0.1121","0.0883","","","0.1957","0.2116","","","","","","1.058","","","","has coordinates,has disorder","273879","2022-03-21","23:40:08",""
"7244695","17.3059","0.0019","12.222","0.0013","47.409","0.005","90","","90","","90","","10027.6","1.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H23 F4 N6 O3 S -","- C24 H23 F4 N6 O3 S -","- C384 H368 F64 N96 O48 S16 -","16","4","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1025","0.0698","","","0.1421","0.1567","","","","","","1.06","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244729","34.4367","0.0018","4.3516","0.0002","28.1754","0.0015","90","","90","","90","","4222.2","0.4","150","","150","","","","","","","","synthesized","3","P c a 21","P 2c -2ac","29","","","","- C23 H19 N7 -","- C23 H19 N7 -","- C184 H152 N56 -","8","2","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","1.54184","CuKα","","0.0999","0.0844","","0.2416","0.2219","0.241","","","","","","1.0025","","","","has coordinates","274418","2022-04-07","22:37:05",""
"7244915","20.346","0.006","7.738","0.002","11.322","0.004","90","","90","","90","","1782.5","0.9","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H25 Co2 N3 O12 P3 -","- C9 H25 Co2 N3 O12 P3 -","- C36 H100 Co8 N12 O48 P12 -","4","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0636","0.0484","","","0.1021","0.1084","","","","","","1.047","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7245045","11.3511","0.0007","14.5086","0.001","7.8221","0.0004","90","","90","","90","","1288.21","0.14","120","2","120.01","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H10 O2 S2 -","- C14 H10 O2 S2 -","- C56 H40 O8 S8 -","4","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0332","0.0263","","","0.0544","0.06","","","","","","1.112","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245108","18.5633","0.0003","9.31515","0.00017","21.2695","0.0004","90","","90","","90","","3677.92","0.11","296","","296","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H32 I K N8 O14 -","- C28 H32 I K N8 O14 -","- C112 H128 I4 K4 N32 O56 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0641","0.0506","","","0.1378","0.1468","","","","","","1.095","","","","has coordinates","276412","2022-06-29","22:40:38",""
"7245115","34.7439","0.0009","8.1437","0.0002","23.0281","0.0006","90","","90","","90","","6515.7","0.3","296","","296","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H88 N8 Na Ne0.5 O46 S6 -","- C80 H80 N16 Na O92 S12 -","- C160 H160 N32 Na2 O184 S24 -","2","0.5","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.1296","0.0861","","","0.2255","0.2615","","","","","","1.047","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245289","16.313","0.002","6.9761","0.001","7.9052","0.0009","90","","90","","90","","899.6","0.2","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","C6H12N2O4P","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C24 H44 N8 O16 P4 -","4","1","","Wang, Duanliang; Sun, Defu; Zhang, Shoubao; Leng, Jiancai; Hou, Ruoxian; Chen, Hanzhang; Sun, Jie; Dang, Yangyang; Shen, Chuan-Ying","A novel 2-(Aminomethyl)pyridineH2PO4 crystal with second-order nonlinear optical performance","CrystEngComm","2022","","","","","10.1039/D2CE00731B","","","0.71073","MoKα","","0.0604","0.0371","","","0.0729","0.0818","","","","","","1.048","","","","has coordinates","277196","2022-08-10","22:38:06",""
"7245427","10.9875","0.0002","12.293","0.0002","27.5133","0.0005","90","","90","","90","","3716.2","0.11","125","2","125","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H17 Cu N3 O8 -","- C19 H17 Cu N3 O8 -","- C152 H136 Cu8 N24 O64 -","8","2","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","1.54178","CuKα","","0.0274","0.0263","","","0.0737","0.0745","","","","","","1.043","","","","has coordinates","277606","2022-09-02","22:43:01",""
"7245518","8.919","0.0003","24.119","0.0008","16.1511","0.0005","90","","90","","90","","3474.4","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H16 Cl N O3 -","- C21 H16 Cl N O3 -","- C168 H128 Cl8 N8 O24 -","8","2","","Fang, Zeguo; Xie, Lin; Wang, Liang; Zhang, Qian; Li, Dong","Silver-catalyzed cascade cyclization and functionalization of N-aryl-4-pentenamides: an efficient route to γ-lactam-substituted quinone derivatives","RSC Advances","2022","12","41","26776","26780","10.1039/D2RA05283K","","x-ray","1.54184","CuKα","","0.0498","0.0425","","","0.1054","0.1124","","","","","","1.034","","","","has coordinates","278059","2022-09-22","01:08:13",""
"7245701","14.789","0.0004","9.6838","0.0003","28.169","0.0007","90","","90","","90","","4034.19","0.19","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H43 N3 O18 U -","- C38 H43 N3 O18 U -","- C152 H172 N12 O72 U4 -","4","1","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0215","0.0187","","","0.0424","0.0437","","","","","","1.045","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7246745","10.1357","0.0007","17.1919","0.0016","9.1265","0.0007","90","","90","","90","","1590.3","0.2","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0779","0.0567","","","0.1433","0.1544","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246886","12.0754","0.0003","10.5591","0.0003","8.8651","0.0003","90","","90","","90","","1130.35","0.06","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C6 N16 -","- C6 N16 -","- C24 N64 -","4","1","","Leškovskis, Kristaps; Mishnev, Anatoly; Novosjolova, Irina; Krumm, Burkhard; Klapötke, Thomas M.; Turks, Māris","2,4,6,8-Tetraazidopyrimido[5,4-d]pyrimidine: a novel energetic binary compound","CrystEngComm","2023","25","27","3866","3869","10.1039/D3CE00563A","","","1.54184","CuKα","","0.0444","0.0409","","","0.0991","0.1015","","","","","","1.064","","","","has coordinates","286094","2023-09-05","19:36:53",""
"7246995","27.449","0.006","5.9185","0.0012","7.8408","0.0017","90","","90","","90","","1273.8","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","3BTHMB","3BTHMB","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","","Bhattacharyya, Arghyadeep; Bhakta, Viki; Guchhait, Nikhil","Structural isomerism induces pH dependent AIE-coupled ESIPT: an in-depth spectroscopic exploration with application in amine vapor sensing.","Physical chemistry chemical physics : PCCP","2023","25","26","17482","17495","10.1039/d3cp01703f","","","0.71073","MoKα","","0.0405","0.0368","","","0.0882","0.0908","","","","","","1.006","","","","has coordinates","285016","2023-07-06","01:00:33",""
"7247038","22.7101","0.0006","14.5414","0.0008","39.6766","0.0016","90","","90","","90","","13102.7","1","150","2","150","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C528 H480 Cl32 Fe8 K8 N80 O80 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1381","0.0773","","","0.1367","0.1596","","","","","","1.063","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247205","18.4305","0.0012","3.7948","0.0002","25.3173","0.0015","90","","90","","90","","1770.69","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 O2 -","- C12 H7 O2 -","- C96 H56 O16 -","8","2","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1136","0.1031","","","0.2383","0.2563","","","","","","1.103","","","","has coordinates,has disorder","286727","2023-10-06","00:03:10",""
"7247231","6.0569","0.0001","6.933","0.0001","28.5038","0.0003","90","","90","","90","","1196.95","0.03","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0306","0.0306","","","0.0843","0.0843","","","","","","1.187","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247358","9.1217","0.0002","17.3684","0.0004","23.9176","0.0006","90","","90","","90","","3789.25","0.15","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11.76 H8.47 N0.94 O0.94 -","- C11.7647 H8.47059 N0.941176 O0.941176 -","- C200 H144 N16 O16 -","17","4.25","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0674","0.0621","","","0.153","0.1582","","","","","","1.018","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247375","23.936","0.002","5.1742","0.0005","7.7436","0.0007","90","","90","","90","","959.04","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","0.71073","MoKα","","0.0892","0.0345","","","0.0591","0.0693","","","","","","0.827","","","","has coordinates","286749","2023-10-06","00:08:41",""
"7247390","18.6757","0.0007","10.0915","0.0004","15.2442","0.0006","90","","90","","90","","2873.01","0.19","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H23 Cl2 I2 N5 Pd -","- C26 H23 Cl2 I2 N5 Pd -","- C104 H92 Cl8 I8 N20 Pd4 -","4","1","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","x-ray","0.71073","MoKα","","0.0351","0.0277","","","0.0558","0.0582","","","","","","1.06","","","","has coordinates","286335","2023-09-14","01:04:05",""
"7247739","12.53304","0.00019","8.30693","0.00013","9.61288","0.00013","90","","90","","90","","1000.81","0.03","99.9","0.5","99.9","0.5","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H2 N6 O6 -","- C8 H2 N6 O6 -","- C32 H8 N24 O24 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0879","0.0882","","","","","","1.058","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247784","6.8883","0.0009","15.522","0.002","16.668","0.002","90","","90","","90","","1782.1","0.4","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C88 H64 F12 N4 O4 -","4","1","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","x-ray","0.71073","MoKα","","0.0521","0.0387","","","0.0883","0.0965","","","","","","1.035","","","","has coordinates","289565","2024-02-04","12:16:46",""
"7247785","6.8631","0.0003","16.0474","0.0005","16.9025","0.0006","90","","90","","90","","1861.56","0.12","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H15 F4 N S -","- C22 H15 F4 N S -","- C88 H60 F16 N4 S4 -","4","1","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","x-ray","0.71073","MoKα","","0.0496","0.0441","","","0.1068","0.1112","","","","","","1.045","","","","has coordinates","289565","2024-02-04","12:16:46",""
"7247828","22.937","0.004","8.7952","0.0015","11.1318","0.0019","90","","90","","90","","2245.7","0.7","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H23 O3 P -","- C28 H23 O3 P -","- C112 H92 O12 P4 -","4","1","","Huang, Mingqing; Huang, Haiyang; You, Mengyao; Zhang, Xinxin; Sun, Longgen; Chen, Chao; Mei, Zhichao; Yang, Ruchun; Xiao, Qiang","Direct air-induced arylphosphinoyl radicals for the synthesis of benzo[b]phosphole oxides","Green Chemistry","2024","26","1","295","299","10.1039/D3GC03947A","","","0.71073","MoKα","","0.0562","0.0421","","","0.0963","0.1046","","","","","","1.044","","","","has coordinates","289563","2024-02-04","12:16:13",""
"7247874","16.2906","0.0002","6.3136","0.0001","12.7839","0.0002","90","","90","","90","","1314.85","0.03","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N4 Se -","- C12 H14 N4 Se -","- C48 H56 N16 Se4 -","4","1","","Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G.","One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations","RSC Advances","2023","13","51","36392","36402","10.1039/D3RA06591J","","x-ray","1.54184","CuKα","","0.0265","0.0245","","","0.0621","0.0637","","","","","","1.054","","","","has coordinates","288336","2023-12-15","02:29:32",""
"7248188","12.0789","0.0003","10.0528","0.0002","8.6569","0.0002","90","","90","","90","","1051.18","0.04","298","","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H12 O7 -","- C11 H12 O7 -","- C44 H48 O28 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","x-ray","0.71073","MoKα","","0.0306","0.0284","","","0.0709","0.0723","","","","","","1.092","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248356","31.7839","0.0012","5.0577","0.0002","26.4285","0.0011","90","","90","","90","","4248.5","0.3","299","","299","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H16 N2 O4 -","- C26 H20 N2 O5 -","- C208 H160 N16 O40 -","8","2","","Polo-Cuadrado, Efraín; Osorio, Edison; Acosta-Quiroga, Karen; Camargo-Ayala, Paola Andrea; Brito, Iván; Rodriguez, Jany; Alderete, Joel B.; Forero-Doria, Oscar; Blanco-Acuña, Edgard Fabián; Gutiérrez, Margarita","Nonlinear optical and spectroscopic properties, thermal analysis, and hemolytic capacity evaluation of quinoline-1,3-benzodioxole chalcone","RSC Advances","2024","14","15","10199","10208","10.1039/D4RA00820K","","","0.71073","MoKα","","0.0779","0.0558","","","0.1414","0.1607","","","","","","1.121","","","","has coordinates","290695","2024-03-28","02:27:34",""
"7248388","15.948","0.0006","6.6074","0.0003","14.6479","0.0006","90","","90","","90","","1543.52","0.11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-Hydroxy Quinoline-Polycyclic Aromatic Hydrocarbon (PAH) Conjugates and Their Sulfonated Derivatives: Effects of Sulfonation and PAH Size on their Structural, Supramolecular and Cytotoxic Properties","CrystEngComm","2024","","","","","10.1039/D4CE00105B","","x-ray","0.71073","MoKα","","0.0623","0.048","","","0.107","0.1198","","","","","","1.0901","","","","has coordinates","291102","2024-04-05","22:43:23",""
"7248393","21.066","0.008","12.519","0.007","17.232","0.008","90","","90","","90","","4545","4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H52 Co3 N16 O5 -","- C38 H48 Co3 N16 O4 -","- C152 H192 Co12 N64 O16 -","4","1","","Bhunia, Sudip; Das, Mainak; Banerjee, Snehasis; Drew, Michael. G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","Application of a distinctly bent, trinuclear, end-to-end azide bridged, mixed valence cobalt(iii/ii/iii) complex in the fabrication of photosensitive Schottky barrier diodes","RSC Advances","2024","14","16","11185","11196","10.1039/D4RA01406E","","","0.71073","MoKα","","0.0976","0.0604","","","0.0913","0.1059","","","","","","1.0454","","","","has coordinates","291142","2024-04-09","01:14:29",""
"7248516","23.563","0.0005","5.2983","0.0001","18.4229","0.0003","90","","90","","90","","2299.99","0.08","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H20 F3 N3 O2 Pt -","- C24 H20 F3 N3 O2 Pt -","- C96 H80 F12 N12 O8 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0385","0.0357","","","0.0796","0.0813","","","","","","1.079","","","","has coordinates,has disorder","291344","2024-04-24","01:03:02",""
"7700082","19.1009","0.0015","18.6389","0.0013","20.5642","0.0015","90","","90","","90","","7321.3","0.9","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C32.5 H26 Cl Cu2 F3 N6 O5 S -","- C32.5 H26 Cl Cu2 F3 N6 O5 S -","- C260 H208 Cl8 Cu16 F24 N48 O40 S8 -","8","2","","Beerhues, Julia; Fauché, Kevin; Cisnetti, Federico; Sarkar, Biprajit; Gautier, Arnaud","A dicopper(i)-dimesoionic carbene complex as a click catalyst: mechanistic implications.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8931","8936","10.1039/c9dt01882d","","","0.71073","MoKα","","0.0404","0.0349","","","0.0951","0.0992","","","","","","1.031","","","","has coordinates,has disorder","223783","2020-10-21","18:00:00",""
"7700416","18.3001","0.0013","10.5868","0.0006","18.5561","0.0014","90","","90","","90","","3595","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H39 F6 N2 O4 Pd2 Sb -","- C32 H39 F6 N2 O4 Pd2 Sb -","- C128 H156 F24 N8 O16 Pd8 Sb4 -","4","1","","Kořenková, Monika; Hejda, Martin; Jirásko, Robert; Block, Theresa; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Pöttgen, Rainer; Dostál, Libor","Antimony(i) →Pd(ii) complexes with the (μ-Sb)Pd<sub>2</sub> coordination framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11912","11920","10.1039/c9dt02340b","","","0.71073","MoKα","","0.1108","0.0577","","","0.0745","0.0856","","","","","","1.009","","","","has coordinates,has disorder","224371","2020-10-21","18:00:00",""
"7700418","26.6878","0.0009","12.1213","0.0004","23.2984","0.0008","90","","90","","90","","7536.8","0.4","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H49 Cl2 N2 Pd2 Sb -","- C36 H49 Cl2 N2 Pd2 Sb -","- C288 H392 Cl16 N16 Pd16 Sb8 -","8","2","","Kořenková, Monika; Hejda, Martin; Jirásko, Robert; Block, Theresa; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Pöttgen, Rainer; Dostál, Libor","Antimony(i) →Pd(ii) complexes with the (μ-Sb)Pd<sub>2</sub> coordination framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11912","11920","10.1039/c9dt02340b","","","0.71073","MoKα","","0.1445","0.067","","","0.0843","0.0983","","","","","","1.031","","","","has coordinates,has disorder","224371","2020-10-21","18:00:00",""
"7700487","12.4432","0.0003","14.6561","0.0004","19.1005","0.0013","90","","90","","90","","3483.3","0.3","293","","293","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C39 H29 Br2 Fe N4 O6 S -","- C39 H29 Br2 Fe N4 O6 S -","- C156 H116 Br8 Fe4 N16 O24 S4 -","4","1","","Lazaro, Sharon E.; Alkaş, Adil; Lee, Seok J.; Telfer, Shane G.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J.","Abrupt spin crossover in iron(iii) complexes with aromatic anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15515","15520","10.1039/c9dt02373a","","x-ray","1.54178","CuKα","","0.099","0.0773","","","0.2002","0.2198","","","","","","1.098","","","","has coordinates","223899","2020-10-21","18:00:00",""
"7700488","12.3433","0.0008","14.3546","0.0008","19.2425","0.0014","90","","90","","90","","3409.4","0.4","123","","123","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C39 H29 Br2 Fe N4 O6 S -","- C39 H29 Br2 Fe N4 O6 S -","- C156 H116 Br8 Fe4 N16 O24 S4 -","4","1","","Lazaro, Sharon E.; Alkaş, Adil; Lee, Seok J.; Telfer, Shane G.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J.","Abrupt spin crossover in iron(iii) complexes with aromatic anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15515","15520","10.1039/c9dt02373a","","","1.54178","CuKα","","0.115","0.0859","","","0.1901","0.2225","","","","","","1.092","","","","has coordinates","223899","2020-10-21","18:00:00",""
"7700489","12.7045","0.0003","14.1173","0.0003","20.3416","0.0014","90","","90","","90","","3648.3","0.3","103","","103","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C39 H31 Fe I2 N4 O7 S -","- C39 H31 Fe I2 N4 O7 S -","- C156 H124 Fe4 I8 N16 O28 S4 -","4","1","","Lazaro, Sharon E.; Alkaş, Adil; Lee, Seok J.; Telfer, Shane G.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J.","Abrupt spin crossover in iron(iii) complexes with aromatic anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15515","15520","10.1039/c9dt02373a","","","1.54178","CuKα","","0.0765","0.0622","","","0.1363","0.1516","","","","","","1.057","","","","has coordinates","223899","2020-10-21","18:00:00",""
"7701403","17.051","0.004","9.38","0.002","34.534","0.008","90","","90","","90","","5523","2","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienylmanganese(I)","Bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienylmanganese(I)","","- C28 H46 K Mn O2 -","- C28 H46 K Mn O2 -","- C224 H368 K8 Mn8 O16 -","8","2","","Malischewski, Moritz; Seppelt, Konrad","Structural Characterization of Potassium Salts of the Decamethylmanganocene Anion Cp*2Mn-","Dalton Transactions","2019","","","","","10.1039/C9DT03551F","","","0.71073","MoKα","","0.0676","0.0486","","","0.1155","0.127","","","","","","1.054","","","","has coordinates","219459","2020-10-21","18:00:00",""
"7701415","17.837","0.0005","23.3635","0.0007","15.3109","0.0006","90","","90","","90","","6380.6","0.4","100.02","0.1","100.02","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C66 H99 B3 F9 N3 -","- C66 H99 B3 F9 N3 -","- C264 H396 B12 F36 N12 -","4","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","x-ray","0.71073","MoKα","","0.0898","0.0668","","","0.1782","0.2029","","","","","","1.036","","","","has coordinates","219472","2020-10-21","18:00:00",""
"7701638","12.568","0.002","12.844","0.002","13.236","0.002","90","","90","","90","","2136.6","0.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 Mn N4 O4 -","- C14 H30 Cl4 Mn N4 O4 -","- C56 H120 Cl16 Mn4 N16 O16 -","4","1","","Hay, Moya A.; Sarkar, Arup; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15480","15486","10.1039/c9dt02187f","","","0.71075","MoKα","","0.0731","0.0531","","","0.0976","0.1044","","","","","","1.152","","","","has coordinates","223324","2020-10-21","18:00:00",""
"7701728","26.2427","0.0002","10.41332","0.00013","35.1224","0.0003","90","","90","","90","","9598.03","0.16","100.1","0.1","100.1","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C128 H100 Ir2 N8 O4 P2 -","- C128 H100 Ir2 N8 O4 P2 -","- C512 H400 Ir8 N32 O16 P8 -","4","1","","So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8340","8349","10.1039/c9dt00244h","","x-ray","1.54184","CuKα","","0.0279","0.0264","","","0.0641","0.0651","","","","","","1.046","","","","has coordinates,has disorder","223345","2020-10-21","18:00:00",""
"7701860","13.21","0.0001","13.7783","0.0001","13.2995","0.0002","90","","90","","90","","2420.66","0.04","100","","100","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C13 H30 As2 Cl3 F3 O3 S Sn -","- C13 H30 As2 Cl3 F3 O3 S Sn -","- C52 H120 As8 Cl12 F12 O12 S4 Sn4 -","4","1","","Greenacre, Victoria K.; King, Rhys P.; Levason, William; Reid, Gillian","Neutral and cationic phosphine and arsine complexes of tin(iv) halides: synthesis, properties, structures and anion influence","Dalton Transactions","2019","","","","","10.1039/C9DT03683K","","x-ray","0.71073","MoKα","","0.0218","0.0199","","","0.042","0.0424","","","","","","1.059","","","","has coordinates","225408","2020-10-21","18:00:00",""
"7701872","20.3105","0.0015","7.729","0.0006","11.2903","0.0009","90","","90","","90","","1772.3","0.2","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C9 H25 Co N3 O12 P3 Zn -","- C9 H25 Co N3 O12 P3 Zn -","- C36 H100 Co4 N12 O48 P12 Zn4 -","4","1","","Liu, Sheng-Bo; Bao, Song-Song; Zheng, Li-Min","Polar layered coordination polymers incorporating triazacyclononane-triphosphonate metalloligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3758","3765","10.1039/c9dt03858b","","","1.34138","GaKα","","0.0675","0.0531","","","0.135","0.1489","","","","","","1.007","","","","has coordinates","250323","2020-10-21","18:00:00",""
"7702073","13.3974","0.0009","12.4285","0.0009","14.1808","0.001","90","","90","","90","","2361.2","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[NbBr4(DMPE)2]]","","","- C12 H32 Br4 Nb P4 -","- C12 H32 Br4 Nb P4 -","- C48 H128 Br16 Nb4 P16 -","4","1","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71073","MoKα","","0.025","0.0221","","","0.0424","0.0435","","","","","","1.036","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702180","11.0154","0.0006","26.5037","0.0015","11.5756","0.0007","90","","90","","90","","3379.5","0.3","90","","90","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H18 Mn N2 -","- C22 H18 Mn N2 -","- C176 H144 Mn8 N16 -","8","2","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.06","0.045","","","0.0984","0.1045","","","","","","1.073","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7702287","9.171","0.002","10.514","0.002","14.339","0.003","90","","90","","90","","1382.6","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H10 N2 Ni O7 V2 -","- C10 H10 N2 Ni O7 V2 -","- C40 H40 N8 Ni4 O28 V8 -","4","1","","Cai-Ming Liu; Song Gao; Huai-Ming Hu; Xianglin Jin; Hui-Zhong Kou","Hydrothermal syntheses and crystal structures of two-dimensional (2D) layered vanadium oxide complexes: M(bipy)(H2O)V2O6 (M = Ni, Co, bipy = bipyridine) and [Ni(bipy)2V6O17]","Journal of the Chemical Society, Dalton Transactions","2002","","","598","601","10.1039/B105700F","","","0.71073","MoKα","","0.0185","0.0171","","","0.0369","0.0372","","","","","","1.007","","","","has coordinates","243814","2020-10-21","18:00:00",""
"7702289","9.212","0.002","10.543","0.002","14.388","0.003","90","","90","","90","","1397.4","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H10 Co N2 O7 V2 -","- C10 H10 Co N2 O7 V2 -","- C40 H40 Co4 N8 O28 V8 -","4","1","","Cai-Ming Liu; Song Gao; Huai-Ming Hu; Xianglin Jin; Hui-Zhong Kou","Hydrothermal syntheses and crystal structures of two-dimensional (2D) layered vanadium oxide complexes: M(bipy)(H2O)V2O6 (M = Ni, Co, bipy = bipyridine) and [Ni(bipy)2V6O17]","Journal of the Chemical Society, Dalton Transactions","2002","","","598","601","10.1039/B105700F","","","0.71073","MoKα","","0.0185","0.0167","","","0.0347","0.0349","","","","","","0.927","","","","has coordinates","243814","2020-10-21","18:00:00",""
"7702330","7.772","0.002","17.084","0.004","18.495","0.004","90","","90","","90","","2455.7","1","213","2","213","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H10 Ag N3 S -","- C11 H10 Ag N3 S -","- C88 H80 Ag8 N24 S8 -","8","2","","Krautscheid, Harald; Emig, Norbert; Klaassen, Nicole; Seringer, Petra","Thiocyanato complexes of the coinage metals: synthesis and crystal structures of the polymeric pyridine complexes [Ag xCuy(SCN)x + y(py)z]","Journal of the Chemical Society, Dalton Transactions","1998","","18","3071","","10.1039/a803468k","","","0.71069","MoKa","","0.0329","0.0306","","0.0772","0.0758","","","","1.043","1.053","1.053","","","","","has coordinates","243827","2020-10-21","18:00:00",""
"7702516","17.54","0.002","31.945","0.003","21.3","0.002","90","","90","","90","","11935","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","00001","","","- C96 H177 Li2 O25 Si16 Sm -","- C96 H160 Li2 O25 Si16 Sm -","- C384 H640 Li8 O100 Si64 Sm4 -","4","1","","Arnold, Polly L.; Blake, Alexander J.; Hall, Sarah N.; Ward, Benjamin D.; Wilson, Claire","A functional model for lanthanide doped silicate materials: synthesis of an apically substituted samarium silsesquioxane complex","Journal of the Chemical Society, Dalton Transactions","2001","","4","488","","10.1039/b009123p","","","0.71073","MoKα","","0.112","0.0766","","","0.175","0.199","","","","","","1.09","","","","has coordinates,has disorder","243888","2020-10-21","18:00:00",""
"7702534","21.2818","0.0011","12.8206","0.0007","12.6462","0.0007","90","","90","","90","","3450.5","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H40 Cl2 Cu3 N6 O17 -","- C19 H38 Cl2 Cu3 N6 O17 -","- C76 H152 Cl8 Cu12 N24 O68 -","4","1","","Gao, En-Qing; Zhao, Qi-Hua; Tang, Jin-Kui; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","A new one-dimensional coordination polymer and a new supramolecular dimer made of trinuclear copper(II) complexes: crystal structure and magnetic properties","Journal of the Chemical Society, Dalton Transactions","2001","","9","1537","","10.1039/b100142f","","","0.71073","MoKα","","0.0516","0.0403","","","0.0989","0.1069","","","","","","1.038","","","","has coordinates","243896","2020-10-21","18:00:00",""
"7702598","15.951","0.002","7.8879","0.0008","14.826","0.0015","90","","90","","90","","1865.4","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H20 Cu2 N4 O8 -","- C14 H18 Cu2 N4 O8 -","- C56 H72 Cu8 N16 O32 -","4","1","","Zhang, Hua-Xin; Kang, Bei-Sheng; Xu, An-Wu; Chen, Zhong-Ning; Zhou, Zhong-Yuan; Chan, Albert S. C.; Yu, Kai-Bei; Ren, Chen","Supramolecular architectures from the self-assembly of trans-oxamidato-bridged dicopper(II) building blocks and phenyldicarboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","18","2559","","10.1039/b102570h","","","0.71073","MoKα","","0.0472","0.0361","","0.0843","0.0782","","","","0.944","1.002","1.002","","","","","has coordinates","243917","2020-10-21","18:00:00",""
"7702682","16.475","0.003","16.546","0.003","17.215","0.003","90","","90","","90","","4692.7","1.5","150","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl3 N2 Tl -","- C21 H24 Cl3 N2 Tl -","- C168 H192 Cl24 N16 Tl8 -","8","2","","Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron","Synthesis and characterisation of the first carbene‒thallium complexes: molecular structure of [TlCl3{CN(Mes)C2H2N(Mes)}], Mes = C6H2Me3-2,4,6†","Journal of the Chemical Society, Dalton Transactions","2001","","17","2451","","10.1039/b105322c","","","0.71073","MoKα","","0.0306","0.0224","","","0.0489","0.0505","","","","","","1.01","","","","has coordinates","243946","2020-10-21","18:00:00",""
"7702716","15.464","0.005","15.262","0.004","20.333","0.003","90","","90","","90","","4799","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","μ-hydrido-μ-naphthylthiolato-ax-pyridine-heptacarbonyl- dirhenium","","- C22 H13 N O7 Re2 S -","- C22 H12 N O7 Re2 S -","- C176 H96 N8 O56 Re16 S8 -","8","2","","Egold, Hans; Schwarze, Detlef; Flörke, Ulrich","Substitution reactivity of the hydrido sulfido bridged dirhenium complex [Re2(µ-H)(µ-Snaph)(CO)8] (naph = 2-naphthyl)","Journal of the Chemical Society, Dalton Transactions","2002","","6","1078","","10.1039/b107859c","","","0.71073","MoKα","","0.1289","0.0612","","","0.1059","0.1277","","","","","","1.043","","","","has coordinates","243978","2020-10-21","18:00:00",""
"7702720","23.861","0.003","13.452","0.002","19.238","0.003","90","","90","","90","","6175","1.5","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H50 Cl4 N16 O18 Ru2 -","- C52 H46 Cl4 N16 O18 Ru2 -","- C208 H184 Cl16 N64 O72 Ru8 -","4","1","","Sarkar, Biprajit; Laye, Rebecca H.; Mondal, Biplab; Chakraborty, Soma; Paul, Rowena L.; Jeffery, John C.; Puranik, Vedavati G.; Ward, Michael D.; Kumar Lahiri, Goutam","Synthesis, structure and spectroelectrochemical properties of a dinuclear ruthenium complex exhibiting a strong electronic interaction across a 1,2,4,5-tetrazine bridging ligand","Journal of the Chemical Society, Dalton Transactions","2002","","9","2097","","10.1039/b108296e","","","0.71073","MoKα","","0.1204","0.079","","","0.1977","0.2325","","","","","","1.011","","","","has coordinates","243985","2020-10-21","18:00:00",""
"7702727","16.689","0.005","23.461","0.005","18.253","0.005","90","","90","","90","","7147","3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H78 N4 Ni P4 S4 -","- C76 H78 N4 Ni P4 S4 -","- C304 H312 N16 Ni4 P16 S16 -","4","1","","Bigoli, Francesco; Curreli, Simona; Deplano, Paola; Leoni, Laura; Mercuri, Maria Laura; Pellinghelli, Maria Angela; Serpe, Angela; Trogu, Emanuele F.","Nickel dithiolene complexes as a source of a new family of S,S-dinegative chiral ligands R4btimdt = 5,5′-bis(1,3-dialkyl-4-imidazolidine-2-thione-4-thiolate)","Journal of the Chemical Society, Dalton Transactions","2002","","9","1985","","10.1039/b108471b","","","1.54184","CuKα","","0.1062","0.0666","","","0.1712","0.1925","","","","","","0.857","","","","has coordinates","243989","2020-10-21","18:00:00",""
"7702997","27.991","0.003","9.623","0.003","16.419","0.003","90","","90","","90","","4422.6","1.7","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H62 Co N2 O6 S2 Si2 -","- C30 H62 Co N2 O6 S2 Si2 -","- C120 H248 Co4 N8 O24 S8 Si8 -","4","1","","Kowalkowska-Zedler, D; Dołęga, A; Nedelko, N.; Łyszczek, R; Aleshkevych, P.; Demchenko, I.; Łuczak, J; Slawska-Waniewska, A; Pladzyk, A.","Structural, magnetic and spectral properties of tetrahedral cobalt(ii) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","697","710","10.1039/c9dt03722e","","x-ray","0.71073","MoKα","","0.1339","0.0942","","","0.2155","0.2413","","","","","","1.037","","","","has coordinates","247747","2020-10-21","18:00:00",""
"7703075","28.2584","0.0016","15.9307","0.0009","13.3344","0.0006","90","","90","","90","","6002.8","0.6","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H83 N3 O3 Zn3 -","- C54 H83 N3 O3 Zn3 -","- C216 H332 N12 O12 Zn12 -","4","1","","Xiao, Lin; Zhao, Yanxia; Qiao, Sijie; Sun, Ziyue; Santoro, Orlando; Redshaw, Carl","Synthesis and structures of mono- and di-nuclear aluminium and zinc complexes bearing α-diimine and related ligands, and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1456","1472","10.1039/c9dt04332b","","","0.71073","MoKα","","0.0527","0.0399","","","0.0749","0.0796","","","","","","1.038","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703265","17.1165","0.0003","15.8699","0.0003","16.6561","0.0003","90","","90","","90","","4524.42","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H30 F3 O3 S Sb -","- C21 H30 F3 O3 S Sb -","- C168 H240 F24 O24 S8 Sb8 -","8","2","","Coughlin, Omar; Krämer, Tobias; Benjamin, Sophie L.","Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1726","1730","10.1039/d0dt00024h","","x-ray","0.71073","MoKα","","0.0869","0.049","","","0.0674","0.0807","","","","","","1.018","","","","has coordinates","248949","2020-10-21","18:00:00",""
"7703324","17.0228","0.0004","11.6142","0.0004","15.9579","0.0005","90","","90","","90","","3154.98","0.16","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(DIM)Fe(NO3)2(MeCN)","","- C28 H37 Fe N7 O6 -","- C28 H37 Fe N7 O6 -","- C112 H148 Fe4 N28 O24 -","4","1","","Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.","A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1681","1687","10.1039/d0dt00077a","","","0.71073","MoKα","","0.0323","0.0263","","","0.0643","0.0664","","","","","","1.044","","","","has coordinates","248943","2020-10-21","18:00:00",""
"7703338","20.827","0.0003","11.842","0.0002","15.7786","0.0003","90","","90","","90","","3891.53","0.11","100.3","0.8","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","PN3PNUCl2","","- C42 H32 Cl2 N4 O2 P2 U -","- C42 H32 Cl2 N4 O2 P2 U -","- C168 H128 Cl8 N16 O8 P8 U4 -","4","1","","Dickie, Tara K. K.; MacNeil, Connor S.; Hayes, Paul G.","Consecutive N<sub>2</sub> loss from a uranium diphosphazide complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","578","582","10.1039/c9dt04517a","","","1.54184","CuKα","","0.0373","0.0336","","","0.0802","0.0817","","","","","","1.001","","","","has coordinates","247074","2020-10-21","18:00:00",""
"7703488","36.2517","0.0002","6.78334","0.00005","13.08712","0.00007","90","","90","","90","","3218.22","0.03","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H56 B2 O2 P2 -","- C28 H56 B2 O2 P2 -","- C112 H224 B8 O8 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0721","0.0711","","","0.2063","0.2077","","","","","","1.034","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703493","20.85015","0.00015","10.67243","0.00011","13.58703","0.00012","90","","90","","90","","3023.41","0.05","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H49 O3 P2 Rh -","- C29 H49 O3 P2 Rh -","- C116 H196 O12 P8 Rh4 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0482","0.0474","","","0.1283","0.1297","","","","","","1.063","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703495","20.8772","0.0002","10.65296","0.00008","13.56659","0.00011","90","","90","","90","","3017.26","0.04","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H49 Ir O3 P2 -","- C29 H49 Ir O3 P2 -","- C116 H196 Ir4 O12 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0205","0.0192","","","0.0464","0.0467","","","","","","1.075","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703831","19.85","0.004","9.268","0.0019","14.146","0.003","90","","90","","90","","2602.4","0.9","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H33 Co N2 O12.5 -","- C23 H33 Co N2 O12.5 -","- C92 H132 Co4 N8 O50 -","4","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","","0.71075","Synchrotron","","0.0491","0.0398","","","0.0924","0.097","","","","","","1.092","","","","has coordinates,has disorder","251622","2020-10-21","18:00:00",""
"7703832","19.8716","0.0004","9.3173","0.0002","14.114","0.0004","90","","90","","90","","2613.2","0.11","123","0.13","123","0.13","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H33 N2 O12.5 Zn -","- C23 H33 N2 O12.5 Zn -","- C92 H132 N8 O50 Zn4 -","4","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","x-ray","1.54184","CuKα","","0.0671","0.0586","","","0.1481","0.1551","","","","","","1.091","","","","has coordinates","251622","2020-10-21","18:00:00",""
"7703833","20.457","0.0003","9.32","0.0002","14.195","0.0002","90","","90","","90","","2706.41","0.08","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H33 Cd N2 O12.5 -","- C23 H28 Cd N2 O11 -","- C92 H112 Cd4 N8 O44 -","4","1","","Chahine, Ali Y.; Phonsri, Wasinee; Murray, Keith S.; Turner, David R.; Batten, Stuart R.","Coordination polymers of a bis-isophthalate bridging ligand with single molecule magnet behaviour of the Co<sup>II</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5241","5249","10.1039/c9dt04606b","","","0.7109","Synchrotron","","0.0333","0.0329","","","0.0892","0.0896","","","","","","1.066","","","","has coordinates,has disorder","251622","2020-10-21","18:00:00",""
"7703991","21.842","0.002","7.2588","0.0015","18.322","0.003","90","","90","","90","","2904.9","0.8","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H39 K0.84 O6 Rb0.16 Zn -","- C30 H39 K0.843 O6 Rb0.157 Zn -","- C120 H156 K3.372 O24 Rb0.628 Zn4 -","4","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.1647","0.054","","","0.0902","0.1059","","","","","","0.655","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7704098","24.1364","0.0016","8.7914","0.0006","7.5418","0.0005","90","","90","","90","","1600.32","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15.5 H12 N O7 Pb -","- C15.5 H11 N O7 Pb -","- C62 H44 N4 O28 Pb4 -","4","1","","Zhao, Xue-Yan; Liang, Bing; Xiong, Ke-Cai; Shi, Yu-Wen; Yang, Si-Lei; Wei, Ting-Yu; Zhang, Hui; Zhang, Qing-Fu; Gai, Yan-Li","Two novel lead-based coordination polymers for luminescence sensing of anions, cations and small organic molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5695","5702","10.1039/d0dt00533a","","","0.71073","MoKα","","0.0251","0.0225","","","0.0521","0.0529","","","","","","1.076","","","","has coordinates","252751","2020-10-21","18:00:00",""
"7704136","22.9944","0.0004","13.1476","0.0002","19.4279","0.0003","90","","90","","90","","5873.47","0.16","235.01","0.1","235.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C63 H82 F3 N5 P2 -","- C63 H82 F3 N5 P2 -","- C252 H328 F12 N20 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0482","0.0424","","","0.1129","0.1182","","","","","","1.021","","","","has coordinates,has disorder","252776","2020-10-21","18:00:00",""
"7704244","16.804","0.002","14.1855","0.0018","34.372","0.004","90","","90","","90","","8193.4","1.7","100","","100","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C40 H63 N3 O4 Si2 -","- C40 H63 N3 O4 Si2 -","- C320 H504 N24 O32 Si16 -","8","2","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0301","0.029","","","0.0722","0.0729","","","","","","1.084","","","","has coordinates","252833","2020-10-21","18:00:00",""
"7704418","20.6301","0.0011","17.5943","0.001","19.326","0.0011","90","","90","","90","","7014.8","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H31 Co F12 N7 P2 -","- C31 H31 Co F12 N7 P2 -","- C248 H248 Co8 F96 N56 P16 -","8","2","","Yi, Gangji; Zhang, Chunyang; Zhao, Wen; Cui, Huihui; Chen, Lei; Wang, Zhenxing; Chen, Xue-Tai; Yuan, Aihua; Liu, Yuan-Zhong; Ouyang, Zhong-Wen","Structure, magnetic anisotropy and relaxation behavior of seven-coordinate Co(ii) single-ion magnets perturbed by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7620","7627","10.1039/d0dt01232g","","","0.71073","MoKα","","0.08","0.0545","","","0.1411","0.1592","","","","","","1.104","","","","has coordinates","253889","2020-10-21","18:00:00",""
"7705054","19.7393","0.0019","16.2623","0.0016","22.283","0.002","90","","90","","90","","7153","1.2","293","2","293.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H90 N3 P4 Pd Yb -","- C84 H90 N3 P4 Pd Yb -","- C336 H360 N12 P16 Pd4 Yb4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0491","0.0331","","","0.0693","0.0751","","","","","","1.02","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705056","19.6769","0.001","16.1787","0.0008","22.2319","0.0011","90","","90","","90","","7077.5","0.6","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H90 N3 P4 Pd Sc -","- C84 H90 N3 P4 Pd Sc -","- C336 H360 N12 P16 Pd4 Sc4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.1041","0.0879","","","0.1556","0.1644","","","","","","1.166","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705057","19.719","0.0013","16.2376","0.001","22.2512","0.0014","90","","90","","90","","7124.6","0.8","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C84 H90 Lu N3 P4 Pd -","- C84 H90 Lu N3 P4 Pd -","- C336 H360 Lu4 N12 P16 Pd4 -","4","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","","0.71073","MoKα","","0.0789","0.0625","","","0.1228","0.1351","","","","","","1.052","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705479","8.7457","0.0004","6.3938","0.0002","23.9293","0.0009","90","","90","","90","","1338.08","0.09","299.3","0.2","299.3","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 O2 S -","- C17 H12 O2 S -","- C68 H48 O8 S4 -","4","1","","Babetto, Luca; Carlotto, Silvia; Carlotto, Alice; Rancan, Marzio; Bottaro, Gregorio; Armelao, Lidia; Casarin, Maurizio","Antenna triplet DFT calculations to drive the design of luminescent Ln<sup>3+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14556","14563","10.1039/d0dt02624g","","","0.71073","MoKα","","0.0357","0.0329","","","0.0876","0.0899","","","","","","1.068","","","","has coordinates","258786","2020-11-06","11:56:53",""
"7705535","14.9675","0.0008","13.4729","0.0007","20.689","0.001","90","","90","","90","","4172.1","0.4","124","2","124","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C42 H8 B2 F30 O6 -","- C42 H8 B2 F30 O6 -","- C168 H32 B8 F120 O24 -","4","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","","0.71073","MoKα","","0.0502","0.0357","","","0.0724","0.0774","","","","","","1.043","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705538","14.8191","0.0009","13.943","0.001","20.8344","0.0015","90","","90","","90","","4304.9","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H6 B F15 O2 -","- C22 H6 B F15 O2 -","- C176 H48 B8 F120 O16 -","8","2","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","","0.0529","0.0466","","","0.1146","0.1182","","","","","","1.05","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7706034","16.4677","0.0007","9.3211","0.0004","23.993","0.0009","90","","90","","90","","3682.9","0.3","100","","100","","","","","","","","","8","P c a 21","P 2c -2ac","29","","NRN-272","","- C26 H42 F6 N4 O6 P2 S2 Se2 -","- C26 H42 F6 N4 O6 P2 S2 Se2 -","- C104 H168 F24 N16 O24 P8 S8 Se8 -","4","1","","Naz, Nabila Rauf; Schnakenburg, Gregor; Kelemen, Zsolt; Gál, Dalma; Nyulászi, László; Boeré, René T; Streubel, Rainer","A rigid anionic Janus bis(NHC) - new opportunities in NHC chemistry.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","689","695","10.1039/d0dt03915b","","","0.71073","MoKα","","0.0358","0.0298","","","0.0611","0.0632","","","","","","1.028","","","","has coordinates","261671","2021-02-04","23:14:19",""
"7706391","20.699","0.005","11.435","0.003","20.275","0.005","90","","90","","90","","4799","2","296.15","","296.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H31 Br Dy F9 N2 O6 -","- C52 H31 Br Dy F9 N2 O6 -","- C208 H124 Br4 Dy4 F36 N8 O24 -","4","1","","Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu","Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2102","2111","10.1039/d0dt03780j","","","0.71073","MoKα","","0.0502","0.0322","","","0.0709","0.078","","","","","","1.011","","","","has coordinates,has disorder","262631","2021-03-05","02:01:31",""
"7706392","20.2733","0.0019","11.7442","0.001","19.7019","0.0018","90","","90","","90","","4690.9","0.7","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H36 Dy F9 N2 O6 -","- C54 H36 Dy F9 N2 O6 -","- C216 H144 Dy4 F36 N8 O24 -","4","1","","Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu","Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2102","2111","10.1039/d0dt03780j","","","0.71073","MoKα","","0.0238","0.02","","","0.0435","0.0452","","","","","","1.026","","","","has coordinates","262631","2021-03-05","02:01:31",""
"7706757","30.2815","0.0002","31.4764","0.0002","28.51028","0.00019","90","","90","","90","","27174.6","0.3","100","0.1","100","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C108 H186 N3 O37 P Si3 W9 -","- C108 H186 N3 O37 P Si3 W9 -","- C864 H1488 N24 O296 P8 Si24 W72 -","8","2","","Auvray, Thomas; Nachtigall, Olaf; Brennessel, William W.; Jones, William D.; Matson, Ellen M.","Development of sterically hindered siloxide-functionalized polyoxotungstates for the complexation of 5d-metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4300","4310","10.1039/d1dt00256b","","x-ray","1.54184","CuKα","","0.0592","0.0536","","","0.1356","0.1402","","","","","","1.037","","","","has coordinates,has disorder","263782","2021-04-05","14:55:53",""
"7707023","21.111","0.005","15.961","0.003","34.384","0.008","90","","90","","90","","11586","4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C98 H102 F12 Fe2 N6 P6 Ru -","- C98 H102 F12 Fe2 N6 P6 Ru -","- C392 H408 F48 Fe8 N24 P24 Ru4 -","4","1","","Xu, Qing-Dou; Zeng, Chen; Su, Shao-Dong; Yang, Yu-Ying; Hu, Sheng-Min; Li, Ting-Ya; Wu, Xin-Tao; Sheng, Tian-Lu","Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6161","6169","10.1039/d1dt00157d","","","0.71073","MoKα","","0.0906","0.0832","","","0.2227","0.231","","","","","","1.054","","","","has coordinates","266089","2021-06-05","18:55:11",""
"7707037","17.1415","0.0008","8.3019","0.0004","14.9727","0.0006","90","","90","","90","","2130.72","0.17","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H16 Cl2 N6 Sn2 -","- C20 H16 Cl2 N6 Sn2 -","- C80 H64 Cl8 N24 Sn8 -","4","1","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0577","0.0373","","","0.0793","0.0867","","","","","","1.027","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707116","65.4426","0.0005","35.1245","0.0003","59.0133","0.0005","90","","90","","90","","135650","1.9","110","2","110.6","0.4","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C935 H1283 Cl16 Co64 N87 O167 S64 -","- C749 H846 Cl16 Co64 N41 O167 S64 -","- C2996 H3384 Cl64 Co256 N164 O668 S256 -","4","1","","Zhang, Kai; Du, Shao-Wu","A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6181","6187","10.1039/d1dt00556a","","","0.71073","MoKα","","0.1551","0.1037","","","0.2768","0.302","","","","","","0.954","","","","has coordinates,has disorder","266094","2021-06-05","18:58:40",""
"7707137","20.7951","0.0004","30.5457","0.0006","14.9217","0.0003","90","","90","","90","","9478.3","0.3","120","0.1","120","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C90 H98 Br9 N27 O4 -","- C90 H98 Br9 N27 O4 -","- C360 H392 Br36 N108 O16 -","4","1","","Pitarch-Jarque, Javier; Zaragozá, Ramón J; Ballesteros, Rafael; Abarca, Belen; Garcia-España, Enrique; Verdejo, Begoña; Ballesteros-Garrido, Rafael","About the relevance of anion-π interactions in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6834","6839","10.1039/d1dt00771h","","x-ray","0.71073","MoKα","","0.0661","0.045","","","0.101","0.1128","","","","","","0.975","","","","has coordinates,has disorder","266045","2021-06-05","18:42:46",""
"7707435","21.391","0.0009","17.3399","0.0008","29.1742","0.0013","90","","90","","90","","10821.2","0.8","93","2","93","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C52 H64 F3 Fe N7 Ni O7 P3 S -","- C52 H64 F3 Fe N7 Ni O7 P3 S -","- C416 H512 F24 Fe8 N56 Ni8 O56 P24 S8 -","8","2","","Lee, Justin L.; Oswald, Victoria F.; Biswas, Saborni; Hill, Ethan A.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Stepwise assembly of heterobimetallic complexes: synthesis, structure, and physical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8111","8119","10.1039/d1dt01021b","","","0.71073","MoKα","","0.0858","0.0532","","","0.0877","0.0988","","","","","","1.01","","","","has coordinates,has disorder","267205","2021-07-05","17:46:30",""
"7707454","17.2967","0.0009","3.8127","0.0002","21.4776","0.0011","90","","90","","90","","1416.39","0.13","90","2","90","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H14 Cl2 Cu2 N2 O2 -","- C12 H14 Cl2 Cu2 N2 O2 -","- C48 H56 Cl8 Cu8 N8 O8 -","4","1","","Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito","Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8889","8898","10.1039/d1dt01571k","","x-ray","1.54184","CuKα","","0.0359","0.0331","","","0.0913","0.0942","","","","","","1.081","","","","has coordinates","267179","2021-07-05","17:39:01",""
"7707537","8.785","0.006","13.001","0.009","14.593","0.01","90","","90","","90","","1667","2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B8 Cs3 N O16 -","- B8 Cs3 N O16 -","- B32 Cs12 N4 O64 -","4","1","","Chen, Zilong; Wu, Chengfa; Zeng, Hao; Yu, Feng","A new acentric borate-nitrate Cs<sub>3</sub>B<sub>8</sub>O<sub>13</sub>(NO<sub>3</sub>) with interpenetrating porous 3D covalent and ionic lattices.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8676","8679","10.1039/d1dt01275d","","","0.71073","MoKα","","0.0751","0.0475","","","0.0829","0.0943","","","","","","0.944","","","","has coordinates","267169","2021-07-05","17:37:07",""
"7707552","22.5075","0.001","20.183","0.0011","32.9663","0.0019","90","","90","","90","","14975.6","1.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C288 H348 N13 Na O26 Sc8 -","- C288 H348 N13 Na O26 Sc8 -","- C576 H696 N26 Na2 O52 Sc16 -","2","0.5","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","","1.54178","CuKα","","0.1528","0.0927","","","0.2276","0.2804","","","","","","0.995","","","","has coordinates","267138","2021-07-05","17:27:08",""
"7707839","43.184","0.003","12.2679","0.0008","21.4813","0.0013","90","","90","","90","","11380.3","1.3","150","","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H81 Cl Co3 Ge O9 P3 -","- C45 H81 Cl Co3 Ge O9 P3 -","- C360 H648 Cl8 Co24 Ge8 O72 P24 -","8","2","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.0937","0.0539","","","0.1084","0.127","","","","","","1.005","","","","has coordinates,has disorder","268792","2021-09-06","11:22:12",""
"7708144","13.6771","0.0011","11.9568","0.0011","6.1214","0.0005","90","","90","","90","","1001.06","0.15","180","2","180","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H4 N8 O7 -","- C4 H4 N8 O7 -","- C16 H16 N32 O28 -","4","1","","Liao, Sicheng; Liu, Tianlin; Zhou, Zhiyu; Wang, Kangcai; Song, Siwei; Zhang, Qinghua","Energetic isomers of bridged oxadiazole nitramines: the effect of asymmetric heterocyclics on stability and energetic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02404C","","","0.71073","MoKα","","0.0704","0.0449","","","0.0965","0.1109","","","","","","1.07","","","","has coordinates,has disorder","268271","2021-08-27","23:07:32",""
"7708247","20.5372","0.0001","12.1856","0.0001","14.3785","0.0001","90","","90","","90","","3598.34","0.04","150","2","150","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H60 N4 O2 Si4 Sn2 -","- C22 H60 N4 O2 Si4 Sn2 -","- C88 H240 N16 O8 Si16 Sn8 -","4","1","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","1.54184","CuKα","","0.043","0.0426","","","0.1115","0.1119","","","","","","1.065","","","","has coordinates,has disorder","269053","2021-09-08","22:55:51",""
"7708890","16.8805","0.0007","11.8026","0.0004","12.5545","0.0004","90","","90","","90","","2501.28","0.16","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H12 Cl3 N S2 Sn -","- C6 H12 Cl3 N S2 Sn -","- C48 H96 Cl24 N8 S16 Sn8 -","8","2","","Brune, Veronika; Raydan, Nidal; Sutorius, Anja; Hartl, Fabian; Purohit, Bhagyesh; Gahlot, Sweta; Bargiela, Pascal; Burel, Laurence; Wilhelm, Michael; Hegemann, Corinna; Atamtürk, Ufuk; Mathur, Sanjay; Mishra, Shashank","Single source precursor route to nanometric tin chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02964a","","","0.71073","MoKα","","0.082","0.0462","","","0.0945","0.1077","","","","","","0.995","","","","has coordinates","270758","2021-11-19","00:05:56",""
"7709037","21.065","0.0008","8.0636","0.0004","11.9021","0.0006","90","","90","","90","","2021.69","0.16","299","2","299","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H24 B10 -","- C17 H24 B10 -","- C68 H96 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Light-enabled alkenylation of iodocarboranes with unactivated alkenes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","104","110","10.1039/d1dt03726a","","","0.71073","MoKα","","0.0837","0.057","","","0.1419","0.1583","","","","","","1.066","","","","has coordinates","272654","2022-02-04","19:32:34",""
"7709335","21.8306","0.0007","10.5494","0.0003","18.6773","0.0006","90","","90","","90","","4301.4","0.2","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Cyano(triphenylsilyl)phosphanido[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold(I)","","- C9.68 H10.74 Au0.21 N0.63 P0.21 Si0.21 -","- C9.68421 H10.7368 Au0.210526 N0.631579 P0.210526 Si0.210526 -","- C184 H204 Au4 N12 P4 Si4 -","19","4.75","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","0.71073","MoKα","","0.0238","0.0191","","","0.0373","0.0388","","","","","","1.008","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709340","21.5909","0.0006","10.7125","0.0003","18.4005","0.0004","90","","90","","90","","4255.9","0.19","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Cyano(triphenylsilyl)phosphanido[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]copper(I)","","- C9.68 H10.74 Cu0.21 N0.63 P0.21 Si0.21 -","- C9.68421 H10.7368 Cu0.210526 N0.631579 P0.210526 Si0.210526 -","- C184 H204 Cu4 N12 P4 Si4 -","19","4.75","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","0.71073","MoKα","","0.0311","0.0242","","","0.05","0.0547","","","","","","1.049","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709563","10.796","0.0003","20.9622","0.0005","14.3983","0.0003","90","","90","","90","","3258.45","0.14","120.01","0.1","120.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H15 F6 I N5 P -","- C10 H15 F6 I N5 P -","- C80 H120 F48 I8 N40 P8 -","8","2","","Yu, Shilin; Ward, Jas S.","Ligand Exchange Among Iodine(I) Complexes","Dalton Transactions","2022","","","","","10.1039/D1DT04309A","","x-ray","1.54184","CuKα","","0.0606","0.0545","","","0.1361","0.1434","","","","","","1.035","","","","has coordinates","273016","2022-02-17","23:59:09",""
"7709574","14.9573","0.0006","12.5606","0.0004","14.2562","0.0005","90","","90","","90","","2678.35","0.17","180","0.1","180","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H47 Cl Cr N2 Si3 -","- C19 H47 Cl Cr N2 Si3 -","- C76 H188 Cl4 Cr4 N8 Si12 -","4","1","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0437","0.0413","","","0.1056","0.1074","","","","","","1.051","","","","has coordinates,has disorder","273037","2022-02-18","23:59:36",""
"7709650","33.9797","0.0007","15.7885","0.0004","13.0676","0.0003","90","","90","","90","","7010.6","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H52 B Cl O5 P4 Rh -","- C28 H52 B Cl O5 P4 Rh -","- C224 H416 B8 Cl8 O40 P32 Rh8 -","8","2","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","","1.54184","CuKα","","0.0746","0.068","","","0.1889","0.1987","","","","","","1.055","","","","has coordinates","273445","2022-03-04","23:57:20",""
"7709691","10.1088","0.0008","13.552","0.0011","13.4401","0.0009","90","","90","","90","","1841.2","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- Cl H6 N15 O9 Pb4 -","- Cl H6 N15 O9 Pb4 -","- Cl4 H24 N60 O36 Pb16 -","4","1","","Yuan, Yuan; Xu, Yuangang; Xie, Qiang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Pentazolate coordination polymers self-assembled by in situ generated [Pb4(OH)4]4+ cubic cations trapping cyclo-N5−","Dalton Transactions","2022","","","","","10.1039/D1DT04392G","","","0.71073","MoKα","","0.0322","0.0275","","","0.053","0.0544","","","","","","1.007","","","","has coordinates","273541","2022-03-08","23:51:32",""
"7709961","25.0141","0.0006","16.0868","0.0003","17.0784","0.0004","90","","90","","90","","6872.3","0.3","150","","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H30 B2 F4 N4 P2 Se2 -","- C36 H30 B2 F4 N4 P2 Se2 -","- C288 H240 B16 F32 N32 P16 Se16 -","8","2","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","","0.71073","MoKα","","0.051","0.0419","","","0.0935","0.099","","","","","","1.039","","","","has coordinates","274442","2022-04-08","23:06:13",""
"7710483","21.016","0.004","3.6758","0.0007","8.0868","0.0015","90","","90","","90","","624.7","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H7 N7 O2 -","- C2 H7 N7 O2 -","- C8 H28 N28 O8 -","4","1","","Yang, Feng; Qin, Yaqi; Wang, Pengcheng; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","Nitrogen-rich ion salts of 1-hydroxytetrazole-5-hydrazide: a new series of high energy compounds that combine good stability and high energy performance","Dalton Transactions","2022","","","","","10.1039/D2DT01173E","","","0.71073","MoKα","","0.0586","0.0542","","","0.1325","0.1353","","","","","","1.05","","","","has coordinates","276055","2022-06-15","22:56:25",""
"7710655","16.2209","0.0001","16.6404","0.0001","17.0229","0.0001","90","","90","","90","","4594.86","0.05","100","0.1","100.1","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C42 H48 Cl6 N4 V2 -","- C42 H48 Cl6 N4 V2 -","- C168 H192 Cl24 N16 V8 -","4","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0352","0.0347","","","0.0919","0.0924","","","","","","1.025","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710663","21.1014","0.0002","18.6635","0.0002","16.375","0.0002","90","","90","","90","","6448.9","0.12","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H46 Cl3 N2 O V -","- C31 H46 Cl3 N2 O V -","- C248 H368 Cl24 N16 O8 V8 -","8","2","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0391","0.0365","","","0.0937","0.0954","","","","","","1.04","","","","has coordinates","276491","2022-07-01","22:52:43",""
"7710679","28.2657","0.0016","8.3531","0.0005","27.0412","0.0016","90","","90","","90","","6384.6","0.6","230","2","230.01","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C26 H34 Br2 F6 Mo P Ru S2 -","- C26 H34 Br2 F6 Mo P Ru S2 -","- C208 H272 Br16 F48 Mo8 P8 Ru8 S16 -","8","2","","Li, Yahui; Su, Linan; Yang, Dawei; Di, Kai; Wang, Baomin; Qu, Jingping","A thiolate-bridged ruthenium–molybdenum complex featuring terminal nitrido and bridging amido ligands derived from the N–H and N–N bond cleavage of hydrazine","Dalton Transactions","2022","","","","","10.1039/D2DT01378A","","","0.71073","MoKα","","0.0463","0.0376","","","0.0932","0.0966","","","","","","1.03","","","","has coordinates","276578","2022-07-05","22:53:17",""
"7710733","16.1891","0.0002","13.1418","0.0002","16.9923","0.0003","90","","90","","90","","3615.18","0.1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H61 O2 P2 Si2 Ti -","- C30 H61 O2 P2 Si2 Ti -","- C120 H244 O8 P8 Si8 Ti4 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","1.54184","CuKα","","0.0266","0.0259","","","0.0698","0.0703","","","","","","0.875","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710736","16.1352","0.0002","13.17667","0.00018","17.27","0.0003","90","","90","","90","","3671.74","0.09","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H57 P2 Si2 Ti -","- C32 H57 P2 Si2 Ti -","- C128 H228 P8 Si8 Ti4 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","x-ray","1.54184","CuKα","","0.0468","0.046","","","0.1249","0.1257","","","","","","1.067","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710738","16.3488","0.0009","13.2688","0.0008","16.9093","0.001","90","","90","","90","","3668.1","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H61 O2 P2 Sc Si2 -","- C30 H61 O2 P2 Sc Si2 -","- C120 H244 O8 P8 Sc4 Si8 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","0.71073","MoKα","","0.0538","0.043","","","0.0946","0.1014","","","","","","1.023","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710740","16.1044","0.0004","13.175","0.0003","16.9968","0.0006","90","","90","","90","","3606.3","0.18","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H61 O2 P2 Si2 V -","- C30 H61 O2 P2 Si2 V -","- C120 H244 O8 P8 Si8 V4 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","0.71073","MoKα","","0.0482","0.0384","","","0.0866","0.0929","","","","","","0.981","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710808","15.7551","0.0009","12.1307","0.0007","13.7979","0.0008","90","","90","","90","","2637.1","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H42 I2 N8 Sm -","- C18 H42 I2 N8 Sm -","- C72 H168 I8 N32 Sm4 -","4","1","","Bokouende, Sergely Steephen; Jenks, Tyler C.; Ward, Cassandra L.; Allen, Matthew J.","Solid-state and solution-phase characterization of Sm<sup>II</sup>-aza[2.2.2]cryptate and its methylated analogue.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10852","10855","10.1039/d2dt01823c","","","0.71073","MoKα","","0.0609","0.04","","","0.0718","0.0773","","","","","","1.052","","","","has coordinates","276951","2022-07-26","22:57:26",""
"7710830","19.9121","0.0001","10.8854","0.0001","23.8615","0.0001","90","","90","","90","","5172.01","0.06","150","0.1","150","0.1","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C37 H46 Au2 B2 Br2 Cl4 Mo2 N12 O4 -","- C37 H46 Au2 B2 Br2 Cl4 Mo2 N12 O4 -","- C148 H184 Au8 B8 Br8 Cl16 Mo8 N48 O16 -","4","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0317","0.0316","","","0.0801","0.0802","","","","","","1.048","","","","has coordinates","276970","2022-07-27","22:54:11",""
"7711219","16.6231","0.0003","8.27","0.0002","24.4235","0.0004","90","","90","","90","","3357.57","0.12","293","2","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H28 Cl2 Co N8 O15 -","- C23 H28 Cl2 Co N8 O15 -","- C92 H112 Cl8 Co4 N32 O60 -","4","1","","Luo, Bo-Hong; Zhao, Si-Yang; Pu, Yong-Li; Zhou, Xiang-Yu; Xie, Jun-Zhou; Chen, Long; Wu, Min; Zhou, Min; Zhang, Hua-Xin","Influence of the pendant groups on electrochemical water oxidation catalyzed by cobalt(II) triazolylpyridine complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01780F","","","0.71073","MoKα","","0.0841","0.0747","","","0.1801","0.1857","","","","","","1.0722","","","","has coordinates","277740","2022-09-08","22:50:10",""
"7711271","16.175","0.0012","9.2848","0.0007","15.012","0.0011","90","","90","","90","","2254.5","0.3","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H28 F2 N O9 Re -","- C17 H28 F2 N O9 Re -","- C68 H112 F8 N4 O36 Re4 -","4","1","","Ye, Xing; He, Wenhui; Wei, Jing; Wei, Zhenhong; You, Xiuli; Cai, Hu","Two host–guest grown ether supramolecules show switchable phase transition, dielectric and second-harmonic generation effect","Dalton Transactions","2022","","","","","10.1039/D2DT01826H","","","0.71073","MoKα","","0.0463","0.0277","","","0.0575","0.0642","","","","","","0.905","","","","has coordinates","277968","2022-09-18","22:59:30",""
"7711325","18.3616","0.0004","13.3428","0.0003","19.9386","0.0005","90","","90","","90","","4884.9","0.2","179.99","0.1","179.99","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C47 H70 I3 N2 Y -","- C47 H70 I3 N2 Y -","- C188 H280 I12 N8 Y4 -","4","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0417","0.0305","","","0.0578","0.0602","","","","","","1.044","","","","has coordinates","278138","2022-09-26","15:25:30",""
"7711327","18.3367","0.0005","13.331","0.0006","19.8826","0.0008","90","","90","","90","","4860.2","0.3","180","0.1","180","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","MeCAACYbI3","","- C47 H70 I3 N2 Yb -","- C47 H70 I3 N2 Yb -","- C188 H280 I12 N8 Yb4 -","4","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0771","0.0546","","","0.1275","0.1366","","","","","","1.052","","","","has coordinates","278138","2022-09-26","15:25:48",""
"7711724","23.4624","0.0008","10.2943","0.0003","20.1369","0.0006","90","","90","","90","","4863.6","0.3","298","","298","","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C55 H41 F5 Fe N2 O2 P2 Pd S -","- C55 H41 F5 Fe N2 O2 P2 Pd S -","- C220 H164 F20 Fe4 N8 O8 P8 Pd4 S4 -","4","1","","Villalba, Francisco; Albéniz, Ana C.","Palladium hydrazonato complexes and their role in the Pd-catalyzed cross-coupling reactions of hydrazones as carbene precursors","Dalton Transactions","2022","","","","","10.1039/D2DT03251A","","x-ray","0.71073","MoKα","","0.0575","0.0355","","","0.056","0.0651","","","","","","1.055","","","","has coordinates","279127","2022-11-09","00:01:18",""
"7711900","16.5493","0.0005","10.3618","0.0002","22.0549","0.0006","90","","90","","90","","3781.99","0.17","123","2","123","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","η2-{Bis(diphenylphosphanyl)ethyne}-bromido-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II)","","- C38 H51 B Br N6 O P W -","- C33 H39 B Br N6 O P W -","- C132 H156 B4 Br4 N24 O4 P4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0502","0.0346","","","0.0636","0.0676","","","","","","1.001","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711905","16.46","0.003","10.3892","0.0018","22.022","0.004","90","","90","","90","","3765.9","1.2","123","2","123","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","Carbonyl-chlorido-η2-diphenylphosphanylethyne-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II)","","- C37 H47 B Cl9 N6 O P W -","- C33 H39 B Cl N6 O P W -","- C132 H156 B4 Cl4 N24 O4 P4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0273","0.0236","","","0.0599","0.0613","","","","","","1.056","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7712247","26.2539","0.0019","9.9978","0.0007","27.6095","0.0019","90","","90","","90","","7247","0.9","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H43 Cl F3 N3 Ni -","- C39 H43 Cl F3 N3 Ni -","- C312 H344 Cl8 F24 N24 Ni8 -","8","2","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0583","0.0395","","","0.0699","0.0756","","","","","","1.015","","","","has coordinates","280716","2023-02-01","00:02:16",""
"7712573","14.1812","0.0002","7.8891","0.0001","13.6693","0.0002","90","","90","","90","","1529.28","0.04","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H8 Br F2 N2 O3 Re -","- C14 H8 Br F2 N2 O3 Re -","- C56 H32 Br4 F8 N8 O12 Re4 -","4","1","","Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio","Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.","Dalton Transactions","2023","","","","","10.1039/D2DT04041G","","x-ray","1.54186","CuKα","","0.0147","0.0147","","","0.0387","0.0387","","","","","","1.231","","","","has coordinates","281786","2023-03-09","23:56:12",""
"7712796","19.726","0.002","10.5723","0.0012","16.2311","0.0019","90","","90","","90","","3385","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H50 B N7 Yb -","- C32 H50 B N7 Yb -","- C128 H200 B4 N28 Yb4 -","4","1","","Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner","Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand","Dalton Transactions","2023","","","","","10.1039/D3DT00861D","","","0.71073","MoKα","","0.058","0.036","","","0.0756","0.0872","","","","","","1.024","","","","has coordinates,has disorder","282705","2023-04-18","23:35:30",""
"7712889","19.474","0.003","11.2064","0.0016","28.978","0.004","90","","90","","90","","6324","1.6","106","2","106","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C120 Cl10 -","- C120 Cl10 -","- C480 Cl40 -","4","1","","Brotsman, Victor A.; Tamm, Nadezhda B.; Ioffe, Ilya N.; Eliseev, Andrei A.; Goryunkov, Alexey A.; Lyssenko, Konstantin A.; Troyanov, Sergey I.","Dimeric and 1D polymeric low-chlorinated C<sub>60</sub> fullerenes, (C<sub>60</sub>Cl<sub>5</sub>)<sub>2</sub> and (C<sub>60</sub>Cl<sub>4</sub>)<sub>∞</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00887h","","","0.71073","MoKα","","0.0903","0.0588","","","0.1246","0.1388","","","","","","1.003","","","","has coordinates","282912","2023-04-28","22:53:09",""
"7712890","19.4815","0.0009","11.2123","0.0006","28.9836","0.0018","90","","90","","90","","6331","0.6","106","2","106","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C120 Cl10 -","- C120 Cl10 -","- C480 Cl40 -","4","1","","Brotsman, Victor A.; Tamm, Nadezhda B.; Ioffe, Ilya N.; Eliseev, Andrei A.; Goryunkov, Alexey A.; Lyssenko, Konstantin A.; Troyanov, Sergey I.","Dimeric and 1D polymeric low-chlorinated C<sub>60</sub> fullerenes, (C<sub>60</sub>Cl<sub>5</sub>)<sub>2</sub> and (C<sub>60</sub>Cl<sub>4</sub>)<sub>∞</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00887h","","","0.71073","MoKα","","0.0746","0.053","","","0.1069","0.1145","","","","","","1.005","","","","has coordinates","282912","2023-04-28","22:53:10",""
"7712928","12.9404","0.0005","9.4757","0.0003","20.6156","0.0008","90","","90","","90","","2527.87","0.16","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C23 H18 Cl N6 O4 Re S -","- C23 H18 Cl N6 O4 Re S -","- C92 H72 Cl4 N24 O16 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0419","0.0334","","","0.0722","0.0755","","","","","","1.056","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712929","12.8312","0.0004","9.5879","0.0003","20.5152","0.0005","90","","90","","90","","2523.87","0.13","123","2","123","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H18 N7 O6 Re S -","- C23 H18 N7 O6 Re S -","- C92 H72 N28 O24 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0443","0.0335","","","0.071","0.0756","","","","","","1.029","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712931","22.6481","0.0011","7.2466","0.0003","15.5837","0.0009","90","","90","","90","","2557.6","0.2","123","2","123","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 N7 O6 Re S -","- C25 H18 N7 O6 Re S -","- C100 H72 N28 O24 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0725","0.0448","","","0.0904","0.1005","","","","","","1.018","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7713046","38.1996","0.0003","11.612","0.0001","16.1595","0.0001","90","","90","","90","","7167.93","0.09","100","2","100","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C51 H74 F34 K2 N2 O15 P2 -","- C51 H74 F34 K2 N2 O15 P2 -","- C204 H296 F136 K8 N8 O60 P8 -","4","1","","Zapf, Ludwig; Radius, Udo; Finze, Maik","Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating Perfluoroalkylphosphorane Moieties","Dalton Transactions","2023","","","","","10.1039/D3DT01249B","","x-ray","1.54184","CuKα","","0.0371","0.0359","","","0.0791","0.0798","","","","","","1.168","","","","has coordinates","283796","2023-05-15","23:05:53",""
"7713627","8.433","0.0003","11.6833","0.0004","19.8454","0.0008","90","","90","","90","","1955.27","0.12","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","","Xu, Vivian; Pandey, Bedraj; Jayawardhena, J. P. I. Dulmini; Krause, Jeanette A.; Guan, Hairong","The curious cases of tetrahydrosalen-type ligands interacting with Ni(II): structures and ligand-based oxidation reactions","Dalton Transactions","2023","","","","","10.1039/D3DT02023A","","","0.71073","MoKα","","0.0307","0.0272","","","0.0632","0.0659","","","","","","1.061","","","","has coordinates","285414","2023-08-01","23:01:56",""
"7714256","19.4911","0.0002","9.94886","0.00011","21.9647","0.0003","90","","90","","90","","4259.27","0.09","173","0.1","173","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H21 Cl4 N3 O Pd -","- C17 H21 Cl4 N3 O Pd -","- C136 H168 Cl32 N24 O8 Pd8 -","8","2","","Reusser, Esaie; Albrecht, Martin","Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03182A","","x-ray","0.71073","MoKα","","0.0925","0.0892","","","0.2152","0.2198","","","","","","1.085","","","","has coordinates","287024","2023-10-18","22:58:16",""
"7714361","25.3786","0.001","14.1588","0.0006","23.2064","0.0009","90","","90","","90","","8338.8","0.6","120","","120","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H66 Cl4 O2 Rh2 -","- C38 H66 Cl4 O2 Rh2 -","- C304 H528 Cl32 O16 Rh16 -","8","2","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.084","0.0616","","","0.0947","0.1026","","","","","","1.033","","","","has coordinates","287184","2023-11-01","00:01:54",""
"7714540","12.307","0.003","12.149","0.003","13.378","0.002","90","","90","","90","","2000.2","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H26 Cl6 N3 Sb -","- C9 H26 Cl6 N3 Sb -","- C36 H104 Cl24 N12 Sb4 -","4","1","","Wen, Xuemei; Cheng, Juan; Qian, Peiqi; Zhang, Zhizhuan; Zeng, Hongmei; Huang, Ling; Zou, Guohong; Lin, Zhien","Synthesis and structure-dependent optical properties of two new organic-inorganic hybrid antimony(III) chlorides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","260","266","10.1039/d3dt02867d","","","0.71073","MoKα","","0.0616","0.0305","","","0.0511","0.0582","","","","","","1.022","","","","has coordinates","289465","2024-02-04","11:45:02",""
"7714674","19.047","0.006","12.115","0.004","10.586","0.004","90","","90","","90","","2442.8","1.4","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H25 N3 O2 S Zn -","- C27 H25 N3 O2 S Zn -","- C108 H100 N12 O8 S4 Zn4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0551","0.0309","","","0.0567","0.064","","","","","","1.009","","","","has coordinates","289545","2024-02-04","12:07:00",""
"7714675","19.1361","0.0008","12.0931","0.0005","10.4127","0.0004","90","","90","","90","","2409.65","0.17","145","2","145.01","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H25 N3 O2 Se Zn -","- C27 H25 N3 O2 Se Zn -","- C108 H100 N12 O8 Se4 Zn4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0371","0.0289","","","0.055","0.0584","","","","","","1.048","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714677","19.0369","0.0015","12.0159","0.0009","10.4305","0.0008","90","","90","","90","","2385.9","0.3","155.01","0.11","155.01","0.11","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H25 Fe N3 O2 S -","- C27 H25 Fe N3 O2 S -","- C108 H100 Fe4 N12 O8 S4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0347","0.0305","","","0.0637","0.0663","","","","","","1.036","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714681","19.172","0.005","12.076","0.003","10.439","0.003","90","","90","","90","","2416.8","1.1","148","2","147.79","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H25 Fe N3 O2 Se -","- C27 H25 Fe N3 O2 Se -","- C108 H100 Fe4 N12 O8 Se4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0398","0.0305","","","0.0644","0.0683","","","","","","1.036","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714712","31.141","0.001","15.7359","0.0005","19.1556","0.0005","90","","90","","90","","9386.9","0.5","150","0.1","150","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H41.5 Cl N6 O5 P2 Ru -","- C45 H41 Cl N6 O5 P2 Ru -","- C360 H328 Cl8 N48 O40 P16 Ru8 -","8","2","","Seikh, Liton; Dhara, Suman; Singh, Ajit Kumar; Singh, Aditi; Dey, Sanchaita; Indra, Arindam; Lahiri, Goutam Kumar","The isomer-sensitive electrochemical HER of ruthenium(II)-hydrido complexes involving redox-active azoheteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1746","1756","10.1039/d3dt02925e","","x-ray","0.71073","MoKα","","0.1382","0.0657","","","0.1453","0.1783","","","","","","0.997","","","","has coordinates","289495","2024-02-04","11:54:50",""
"7714832","48.617","0.002","12.8598","0.0005","15.4227","0.0006","90","","90","","90","","9642.3","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H46 Br2 Cu2 N4 P2 -","- C24 H46 Br2 Cu2 N4 P2 -","- C288 H552 Br24 Cu24 N48 P24 -","12","3","","Alvarado-Castillo, Miguel A; Cortés-Mendoza, Salvador; Barquera-Lozada, José E; Delgado, Francisco; Toscano, Ruben A.; Ortega-Alfaro, M Carmen; López-Cortés, José G","Well-defined Cu(I) complexes based on [N,P]-pyrrole ligands catalyzed a highly endoselective 1,3-dipolar cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2231","2241","10.1039/d3dt03692h","","","0.71073","MoKα","","0.0743","0.0616","","","0.1311","0.1356","","","","","","1.149","","","","has coordinates,has disorder","289478","2024-02-04","11:48:42",""
"7714963","11.1595","0.0007","17.8542","0.0011","16.0849","0.0008","90","","90","","90","","3204.8","0.3","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H26 Co N10 O4 S2 -","- C32 H26 Co N10 O4 S2 -","- C128 H104 Co4 N40 O16 S8 -","4","1","","Villa-Pérez, Cristian; Zabala-Lekuona, Andoni; Vitorica-Yrezabal, Iñigo J; Seco, José Manuel; Cepeda, Javier; Echeverría, Gustavo Alberto; Soria, Delia Beatriz","Spin canting and slow magnetic relaxation in mononuclear cobalt(II) sulfadiazine ternary complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3254","3266","10.1039/d3dt02359a","","x-ray","0.71073","MoKα","","0.0927","0.0523","","","0.0884","0.1054","","","","","","1.047","","","","has coordinates","290186","2024-03-04","20:19:07",""
"7715484","21.5052","0.0008","11.9353","0.0003","13.8858","0.0005","90","","90","","90","","3564.1","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H52 B10 Ca N2 -","- C31 H52 B10 Ca N2 -","- C124 H208 B40 Ca4 N8 -","4","1","","Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.","From alkaline earth to coinage metal carboranyls.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6653","6659","10.1039/d4dt00478g","","x-ray","1.54184","CuKα","","0.0757","0.0599","","","0.1435","0.162","","","","","","1.013","","","","has coordinates","291648","2024-05-05","03:07:31",""
"7715572","12.6327","0.0003","15.366","0.0003","27.9274","0.0005","90","","90","","90","","5421.1","0.19","100","","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C44 H86 Co6 N6 O16 -","- C44 H86 Co6 N6 O16 -","- C176 H344 Co24 N24 O64 -","4","1","","Terlecki, Michał; Kornowicz, Arkadiusz; Sacharczuk, Kornel; Justyniak, Iwona; Lewiński, Janusz","Synthesis, polymorphism, and shape complementarity-induced co-crystallization of hexanuclear Co(II) clusters capped by a flexible heteroligand shell.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7012","7022","10.1039/d4dt00261j","","","0.71073","MoKα","","0.0539","0.0427","","","0.0862","0.094","","","","","","1.045","","","","has coordinates","291634","2024-05-05","02:56:27",""
"7715616","17.8798","0.0006","18.7861","0.0006","17.3285","0.0005","90","","90","","90","","5820.5","0.3","123.15","","123.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C51 H69 F18 Gd O8 P2 -","- C51 H69 F18 Gd O8 P2 -","- C204 H276 F72 Gd4 O32 P8 -","4","1","","Inage, Kota; Wang, Mengfei; Hasegawa, Yasuchika; Kitagawa, Yuichi","Effective photosensitized emission of a Tb(III) complex using a β-diketonate photosensitizer and an oxygen barrier system in a thermally populated triplet state.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt00286e","","x-ray","0.71073","MoKα","","0.0526","0.048","","","0.1291","0.1326","","","","","","1.036","","","","has coordinates","290762","2024-04-03","22:53:35",""
"7715617","17.91","0.0006","18.7471","0.0006","17.3371","0.0005","90","","90","","90","","5821.1","0.3","123.15","","123.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C51 H69 F18 O8 P2 Tb -","- C51 H69 F18 O8 P2 Tb -","- C204 H276 F72 O32 P8 Tb4 -","4","1","","Inage, Kota; Wang, Mengfei; Hasegawa, Yasuchika; Kitagawa, Yuichi","Effective photosensitized emission of a Tb(III) complex using a β-diketonate photosensitizer and an oxygen barrier system in a thermally populated triplet state.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt00286e","","x-ray","0.71073","MoKα","","0.0887","0.0804","","","0.2243","0.2366","","","","","","1.037","","","","has coordinates","290762","2024-04-03","22:53:35",""
"7715651","18.7188","0.0003","26.1144","0.0005","19.8447","0.0003","90","","90","","90","","9700.7","0.3","173","0.1","173","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H62 K2 Ni O8 -","- C52 H62 K2 Ni O8 -","- C416 H496 K16 Ni8 O64 -","8","2","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: Synthetic, structural and spectroscopic insights","Dalton Transactions","2024","","","","","10.1039/D4DT00889H","","x-ray","1.54184","CuKα","","0.0855","0.0486","","","0.1061","0.1253","","","","","","1.026","","","","has coordinates","290766","2024-04-03","22:58:39",""
"7715879","17.64348","0.00009","8.6604","0.00004","22.95688","0.00013","90","","90","","90","","3507.8","0.03","149.99","0.1","149.99","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H36 Cl Ir N6 O -","- C40 H36 Cl Ir N6 O -","- C160 H144 Cl4 Ir4 N24 O4 -","4","1","","Hashemzadeh, Tahmineh; Christofferson, Andrew Joseph; White, Keith Forrest; Barnard, Peter","Experimental and Theoretical Studies of pH-Responsive Iridium(III) Complexes of Azole and N-Heterocyclic Carbene Ligands","Dalton Transactions","2024","","","","","10.1039/D3DT03766E","","","1.54184","CuKα","","0.02","0.0199","","","0.0514","0.0515","","","","","","1.037","","","","has coordinates","291412","2024-04-29","23:01:09",""
"7715953","20.8363","0.0009","11.7036","0.0004","14.1501","0.0004","90","","90","","90","","3450.6","0.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-butyl-2,4,5-trifluoro-N,N-dimethylbenzenaminiumtetrakis(perfluorophenyl)borate","","- C35 H16 B F23 N2 -","- C35 H16 B F23 N2 -","- C140 H64 B4 F92 N8 -","4","1","","Slesarchuk, Nikita; Ma, Enlu; Miranda-Pizarro, Juan; Heikkinen, Sami; Schollmeyer, Dieter; Nieger, Martin; Vasko, Petra; Repo, Timo","On the mechanism of sp2 C-H borylation using ortho-N-substituted pyridinium cation","Dalton Transactions","2024","","","","","10.1039/D4DT00853G","","","0.71073","MoKα","","0.0568","0.0392","","","0.0801","0.0887","","","","","","1.064","","","","has coordinates","291744","2024-05-06","23:00:18",""
"8000161","15.8386","0.0016","8.5314","0.0008","17.3856","0.0018","90","","90","","90","","2349.2","0.4","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H25 N3 O3 -","- C30 H25 N3 O3 -","- C120 H100 N12 O12 -","4","1","","Wang, Xiang-Shan; Zhang, Mei-Mei; Jiang, Hong; Yao, Chang-Sheng; Tu, Shu-Jiang","Unexpected Spiro-benzoquinolines in the Reaction of N-(Arylidene)naphthalen-2-amine, Arylaldehyde, and 1,3-Dimethylbarbituric Acid in Water","Chemistry Letters","2007","36","3","450","","10.1246/cl.2007.450","","","0.7107","MoKα","","0.0392","0.0374","","","0.0888","0.0899","","","","","","1.101","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000169","21.684","0.003","12.9161","0.0019","17.115","0.003","90","","90","","90","","4793.4","1.3","123.1","","","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C52 H65 Cl Ir N2 P S W -","- C52 H64 Cl Ir N2 P S W -","- C208 H256 Cl4 Ir4 N8 P4 S4 W4 -","4","1","","Arashiba, Kazuya; Tanabe, Yoshiaki; Ishii, Youichi","Synthesis and Reactivities of Sulfido-bridged Ir‒W and Ir‒Re Heterodinuclear Complexes with Imido Ligands","Chemistry Letters","2007","36","5","622","","10.1246/cl.2007.622","","","0.7107","MoKα","","","0.0333","","","","0.0359","","","","","","1.004","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000533","21.5256","0.0008","9.7968","0.0004","4.7685","0.0002","90","","90","","90","","1005.59","0.07","113.15","","113.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H15 N3 O6 -","- C6 H15 N3 O6 -","- C24 H60 N12 O24 -","4","1","","Guo, Mingxia; Rosbottom, Ian; Zhou, Lina; Yong, Chin W.; Zhou, Ling; Yin, Qiuxiang; Todorov, Ilian T.; Errington, Ethan; Heng, Jerry Y. Y.","Triglycine (GGG) Adopts a Polyproline II (pPII) Conformation in Its Hydrated Crystal Form: Revealing the Role of Water in Peptide Crystallization.","The journal of physical chemistry letters","2021","12","34","8416","8422","10.1021/acs.jpclett.1c01622","","x-ray","0.71073","MoKα","","0.0492","0.0466","","","0.1277","0.1305","","","","","","1.041","","","","has coordinates","268464","2021-09-04","02:03:16",""
"8100480","20.165","0.004","5.6673","0.0013","7.5829","0.0017","90","","90","","90","","866.6","0.3","223","2","223","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Greatrex, B. W.; Taylor, D. K.; Tiekink, E. R. T.","Crystal structure of (±)-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl](phenyl)- methanone, C~10~H~10~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","561","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101113","15.1046","0.0004","11.0696","0.0003","16.5588","0.001","90","","90","","90","","2768.7","0.2","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H29 Co N7 O4 P -","- C26 H29 Co N7 O4 P -","- C104 H116 Co4 N28 O16 P4 -","4","1","","Vogt, Martin; Schütt, Thomas; Kemmerich, Timm; Klapötke, Thomas M.; Beck, Wolfgang","Crystal structure of trans-azido-bis(dimethylglyoximato)-triphenylphosphine- cobalt(III), C~26~H~29~CoN~7~O~4~P, at 200 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","637","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101179","11.588","0.001","13.724","0.001","7.522","0.001","90","","90","","90","","1196.3","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2-thiophenealdoxime","","","- C5 H5 N O S -","- C5 H5 N O S -","- C40 H40 N8 O8 S8 -","8","2","","Joannou, John; Martin, Lisandra L.; Taylor, Max R.","Crystal structure of 2-thiophenealdoxime, C~5~H~5~NOS","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","119","120","","","","","","","","0.046","","","0.121","","","","","","","","","","","has coordinates","203903","2020-10-21","18:00:00",""
"8101278","16.4319","0.0018","7.3794","0.0009","13.4711","0.001","90","","90","","90","","1633.5","0.3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C7 H8 Cd Hg N4 O2 S4 -","- C7 H8 Cd Hg N4 O2 S4 -","- C28 H32 Cd4 Hg4 N16 O8 S16 -","4","1","","Zhou, Mei; Yu, Wen Tao; Xu, Dong; Guo, Shi Yi; Lu, Meng Kai; Yuan, Duo Rong","Crystal structure of cadmium mercury tetrathiocyanate (glycol monomethyl ether), C~7~H~8~CdHgN~4~O~2~S~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","425","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101370","8.1248","0.0001","19.1264","0.0002","21.7702","0.0002","90","","90","","90","","3383.1","0.1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","3-(p-Chlorophenyl)-5-methyl-2-(8-quinolinyl)-4-thiazolidinone","","","- C19 H16 Cl N2 O S -","- C19 H16 Cl N2 O S -","- C152 H128 Cl8 N16 O8 S8 -","8","2","","Öztürk, S.; Aygün, M.; Öcal, N.; Yolaçan, Ç.; Fun, H.-K.","Crystal structure of 3-(p-chlorophenyl)-5-methyl-2-(8-quinolinyl)- 4-thiazolidinone, C~19~H~16~ClN~2~OS","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","526","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101408","17.379","0.003","9.637","0.002","30.759","0.006","90","","90","","90","","5151.6","1.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","bis(1,5 diamino-2-methyl-pentane) bis(zirconium) tetra(nitrilotriacetate) tetrahydrate","","","- C18 H34 N4 O14 Zr -","- C36 H68 N8 O28 Zr2 -","- C144 H272 N32 O112 Zr8 -","4","1","","Haussuühl, Eiken; Schreuer, Juergen","Crystal structure of 1,5-diamino-2-methylpentane zirconium bis(nitrilotriacetate) dihydrate, NH~3~(CH~2~)~3~CHCH~3~CH~2~NH~3~ Zr[N(CH~2~COO)~3~]~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","71","73","","","","","","","","0.0291","","","0.0582","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101716","24.348","0.004","8.088","0.002","7.623","0.004","90","","90","","90","","1501.2","0.9","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","2-ethyl-6-methylanilinium dihydrogenphosphate phosphoric acid","","","- C9 H19 N O8 P2 -","- C9 H19 N O8 P2 -","- C36 H76 N4 O32 P8 -","4","1","","Belam, W.; Khedhiri, L.; Daoud, A.","Crystal structure of 2-ethyl-6-methylanilinium dihydrogenphosphate phosphoric acid, (C~9~H~14~N)H~2~PO~4~ · H~3~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","147","148","10.1524/ncrs.2005.220.14.157","","","0.5608","AgKα","","0.0386","0.039","","","","0.049","","","1.325","","","1.32","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102008","5.6406","0.0008","30.292","0.004","16.925","0.003","90","","90","","90","","2891.9","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","rel-(3aR,6aS)-6-methyl-3,6a-diphenyl-3a,4,6,6a-tetrahydro- isoxazolo[5,4-c]isoxazole","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","2","","Frey, W.; Shiva, S.; Jäger, V.","Crystal structure of rel-(3aR,6aS)-6-methyl-3,6a-di-phenyl-3a,4,6, 6a-tetrahydro-isoxazolo[5,4-c]isoxazole, C~17~H~16~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","349","351","","","","1.54178","CuKα","","0.136","0.0836","","","0.1927","0.2355","","","","","","1.009","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102086","18.712","0.004","16.926","0.003","24.627","0.005","90","","90","","90","","7800","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-[bis{[1,3-bis(4-pyridyl)propane]-silver(I)}] benzene-1,4-dicarboxylate octahydrate","","- C34 H32 Ag2 N4 O12 -","- C34 H32 Ag2 N4 O12 -","- C272 H256 Ag16 N32 O96 -","8","2","","Wang, C.-C.; Ma, H.-W.","Crystal structure of catena-(bis((1,3-bis(4-pyridyl)propane)-silver(I))) benzene-1,4-dicarboxylate octahydrate, [{Ag(C~13~H~14~N~2~)}~2~][C~8~H~4~O~4~] · 8H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","2","101","104","","","","0.71073","MoKα","","0.0869","0.0517","","","0.1281","0.1407","","","","","","1.001","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102222","11.9945","0.0019","17.309","0.003","7.4999","0.0012","90","","90","","90","","1557.1","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(8S*,9S*,13S*,14R*,17S*)-estra-1(10),2,4,6-tetraene-14,17-diol monohydrate","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Wefelscheid, Ulrike K.; Brüdgam, Irene; Hartl, Hans; Reißig, Hans-Ulrich","Crystal structure of (8S*,9S*,13S*,14R*,17S*)-estra-1(10),2,4,6-tetraene- 14,17-diol monohydrate, C~18~H~22~O~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","4","467","468","","","","0.71073","MoKα","","0.0608","0.0438","","","0.1014","0.1096","","","","","","0.979","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102860","20.769","0.005","6.405","0.005","12.187","0.005","90","0.005","90","0.005","90","0.005","1621.2","1.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","aqua[pyrazine-2,3-dicarboxyliato-disilver(I)-hexamethylenetetraamine] dihydrate, C~12~H~20~Ag~2~N~6~O~7~","","- C12 H20 Ag2 N6 O7 -","- C12 H14 Ag2 N6 O7 -","- C48 H56 Ag8 N24 O28 -","4","1","","Guang-Yi Wang; Zhen Ma; Bing Liu; Cun-Yuan Cao","Crystal structure of aqua(hexamethylenetetraamine)-(pyrazine-2,3-dicarboxylato)disilver(I) dihydrate, Ag2(H2O)(C6H2N2O4)(C6H12N4) · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","771","","","","","0.71069","MoKα","","0.0224","0.0219","","","0.0584","0.0588","","","","","","1.008","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102870","13.1672","0.0003","14.5045","0.0004","8.9452","0.0002","90","","90","","90","","1708.39","0.07","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,3-di(benzyloxy)imidazolium bromide, C~17~H~17~BrN~2~O~2~","","- C17 H17 Br N2 O2 -","- C17 H17 Br N2 O2 -","- C68 H68 Br4 N8 O8 -","4","1","","Gerhard Laus; Volker Kahlenberg; Herwig Schottenberger","Crystal structure of 1,3-di(benzyloxy)imidazolium bromide, [C17H17N2O2]Br","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","759","","","","","1.5418","CuKα","","0.0429","0.0395","","","0.1008","0.1025","","","","","","0.975","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8103173","19.43","0.004","5.3621","0.0011","19.692","0.004","90","","90","","90","","2051.6","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H20 N4 O3 -","- C23 H20 N4 O3 -","- C92 H80 N16 O12 -","4","1","","Wu-Lan Zeng","Crystal structure of 1-(4-ethylphenyl)-2-nicotinoyl-3-(1H-benzo[d]-1,2,3-triazol-1-yl)-1-oxopropan, C23H20N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","407","","","","","0.71073","MoKα","","0.1394","0.0513","","","0.104","0.1332","","","","","","0.986","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103190","15.1807","0.0002","8.4114","0.0001","28.6983","0.0004","90","","90","","90","","3664.51","0.08","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C12 H24 B Cu F4 N5 O3 -","- C12 H24 B Cu F4 N5 O3 -","- C96 H192 B8 Cu8 F32 N40 O24 -","8","2","","Mei-Ye Jia; Hong-Yu Zhou; Shuang-Yan Wang; Feng-Mei Nie","Crystal structure of (tris(2-aminoethyl)amine-N,N',N'')-(nicotinate-N)copper(II) tetrafluoroborate hydrate, [Cu(C6H18N4)(C6H4NO2)][BF4] • H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","608","","","","","0.71073","MoKα","","0.0455","0.0321","","","0.074","0.079","","","","","","1.035","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103248","17.3539","0.0004","4.02431","0.0001","12.3842","0.0003","90","","90","","90","","864.88","0.04","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H9 N3 O3 -","- C7 H9 N3 O3 -","- C28 H36 N12 O12 -","4","1","","Gerhard Laus; Volker Kahlenberg; Wolfgang Reischl; Herwig Schottenberger","Crystal structure of (E)-2-(1-methoxyimidazol-2-yl)-2-oxoacetaldehyde O-methyl oxime, C7H9N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","623","","","","","1.5418","CuKα","","0.0279","0.0274","","","0.0688","0.0693","","","","","","1.076","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103491","8.7099","","8.6861","","12.314","","90","","90","","90","","931.616","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Mn3 (B7 O13 Br)","","- B7 Br Mn3 O13 -","- B7 Br Mn3 O13 -","- B28 Br4 Mn12 O52 -","4","1","","Kubel, F.; Crottaz, O.","Crystal structure of manganese bromine boracite, Mn3 B7 O13 Br","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","924","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103659","10.743","","5.254","","6.453","","90","","90","","90","","364.231","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Na2 (C O3) (H2 O)","","- C H2 Na2 O4 -","- C H2 Na2 O4 -","- C4 H8 Na8 O16 -","4","1","","Harper, J.P.","Crystal structure of sodium carbonate monohydrate, Na2 C O3 H2 O","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104092","7.896","","6.7845","","6.8641","","90","","90","","90","","367.713","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Hg (Te O2 F (O H))","","- F H Hg O3 Te -","- F Hg O3 Te -","- F4 Hg4 O12 Te4 -","4","1","","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","176429","2020-10-21","18:00:00",""
"8104130","21.98","","6.79","","7.45","","90","","90","","90","","1111.87","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Cs2 (Zn (N3)4)","","- Cs2 N12 Zn -","- Cs2 N12 Zn -","- Cs8 N48 Zn4 -","4","1","","Platzer, G.F.; Krischner, H.","Die Kristallstruktur von Caesiumzinkazid Cs2 Zn (N3)4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1975","141","","363","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104817","32.4137","0.0012","4.6683","0.0002","8.8873","0.0003","90","","90","","90","","1344.8","0.09","150","2","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H10 Br Cl N2 O2 -","- C14 H10 Br Cl N2 O2 -","- C56 H40 Br4 Cl4 N8 O8 -","4","1","","Xu, Xindi; Ma, Xun; Huang, Meifen; Li, Tianyu; Wu, Qiong","Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","317","318","10.1515/ncrs-2020-0539","","","0.71073","MoKα","","0.0277","0.0239","","","0.0594","0.0611","","","","","","1.039","","","","has coordinates","273865","2022-03-21","09:07:36",""
"8104882","23.801","0.004","6.051","0.0013","7.2677","0.0014","90","","90","","90","","1046.7","0.3","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","<i>N,N</i>-Diphenylformamide","<i>N,N</i>-Diphenylformamide","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of N,N-diphenylformamide, C13H11NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","57","59","10.1515/ncrs-2020-0430","","","0.71073","MoKα","","0.0407","0.0335","","","0.0804","0.0896","","","","","","1.095","","","","has coordinates","273997","2022-03-25","10:23:30",""
"8104892","15.3524","0.0008","5.718","0.0003","15.3395","0.0009","90","","90","","90","","1346.58","0.13","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","benzenesulphonic acid","benzenesulphonic acid","","- C6 H6 O3 S -","- C6 H6 O3 S -","- C48 H48 O24 S8 -","8","2","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Crystal structure of benzenesulphonic acid","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","97","99","10.1515/ncrs-2020-0391","","","0.71073","MoKα","","0.0286","0.0253","","","0.0645","0.0663","","","","","","1.048","","","","has coordinates","274029","2022-03-28","08:18:41",""
"8104933","27.19","0.004","4.3317","0.0006","17.297","0.002","90","","90","","90","","2037.2","0.5","150","0.1","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","2","","Wang, Li-Hua; Zhou, Xiao-Jing; Liu, Li-Li; Zhang, Ai-Ling; Tai, Xi-Shi","The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","243","244","10.1515/ncrs-2020-0482","","x-ray","0.71073","MoKα","","0.0674","0.0524","","","0.103","0.1122","","","","","","1.021","","","","has coordinates","274087","2022-03-29","09:03:19",""
"8104936","32.932","0.003","5.849","0.0007","7.3606","0.0008","90","","90","","90","","1417.8","0.3","150","0.1","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H14 Br N3 O3 -","- C14 H14 Br N3 O3 -","- C56 H56 Br4 N12 O12 -","4","1","","Li-Hua, Wang; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Xi-Shi, Tai","The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C14H14BrN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","251","252","10.1515/ncrs-2020-0471","","x-ray","0.71073","MoKα","","0.0282","0.026","","","0.0541","0.0553","","","","","","1.029","","","","has coordinates","274099","2022-03-30","07:19:26",""
"8104967","16.9808","0.0014","7.5227","0.0006","20.8027","0.0016","90","","90","","90","","2657.4","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H20 Cl2 N2 O4 S2 -","- C30 H20 Cl2 N2 O4 S2 -","- C120 H80 Cl8 N8 O16 S8 -","4","1","","Jia, Li-Mei; Luo, Peng; Pan, Wei-Gao","Crystal structure of 2-chloro-3-((thiophen-2-ylmethyl)amino)naphthalene-1,4-dione, C30H20O4N2Cl2S2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","81","83","10.1515/ncrs-2021-0387","","","0.71073","MoKα","","0.1043","0.0642","","","0.1584","0.1809","","","","","","1.017","","","","has coordinates,has disorder","274161","2022-03-31","07:24:30",""
"8105230","10.2949","0.0009","11.1616","0.0009","19.2902","0.0018","90","","90","","90","","2216.6","0.3","100.02","","100.02","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C120 H80 O24 -","8","2","","Mzozoyana, Vuyisa; Zamisa, Sizwe J.","Crystal structure of 7-hydroxy-4-phenyl-2H-chromen-2-one, C15H10O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","595","597","10.1515/ncrs-2019-0839","","x-ray","0.71073","MoKα","","0.0356","0.0302","","","0.0751","0.0783","","","","","","1.023","","","","has coordinates","275360","2022-05-12","07:54:46",""
"8105288","19.718","0.008","9.102","0.004","8.091","0.004","90","","90","","90","","1452.1","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C52 H84 N4 O20 -","4","1","","Liguo, Yang; Zhen, Zhang; Yongsheng, Niu; Fang, Wang; Dayong, Tian","The crystal structure of (E)-2-((2-hydroxy-4-ethoxybenzylidene)amino)-2-methylpropane-1,3-diol monohydrate, C13H21NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","789","791","10.1515/ncrs-2020-0007","","","0.71073","MoKα","","0.0605","0.0452","","","0.1135","0.1289","","","","","","1.052","","","","has coordinates","275511","2022-05-18","08:15:32",""
"8105327","7.9831","0.0002","10.6486","0.0003","15.7222","0.0004","90","","90","","90","","1336.53","0.06","100","","100.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","2-acetylpyridine m-anisoyl hydrazone","(<i>E</i>)-3-methoxy-<i>N</i>'-(1-(pyridin-2-yl)ethylidene)benzohydrazide","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","Crystal structure of (E)-3-methoxy-N′-(1-(pyridin-2-yl)ethylidene)benzohydrazide, C15H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","907","909","10.1515/ncrs-2020-0097","","","0.71073","MoKα","","0.0427","0.034","","","0.0766","0.0799","","","","","","1.046","","","","has coordinates","275758","2022-06-03","07:10:41",""
"8105375","19.1142","0.0007","11.6722","0.0005","9.239","0.0003","90","","90","","90","","2061.26","0.13","100.02","0.1","100.02","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 F3 N O3 S -","- C25 H18 F3 N O3 S -","- C100 H72 F12 N4 O12 S4 -","4","1","","Zhang, Jia-Jing; Chen, Dian-Xing; Lv, Liang-Yan; Qi, Cong-Hui; Xu, Wei-Cheng; Hou, Gui-Ge","Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C25H18F3NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1051","1053","10.1515/ncrs-2020-0165","","","0.71073","MoKα","","0.0502","0.0422","","","0.0912","0.0974","","","","","","1.038","","","","has coordinates","275954","2022-06-10","08:27:00",""
"8105552","26.3525","0.0008","3.8864","0.0001","34.8871","0.001","90","","90","","90","","3573.01","0.18","179.99","0.1","179.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C184 H136 N8 O32 -","8","2","","Weng, Ai-Zhen; Quan, Hai-Yuan; Wang, Liu-Yang; She, Dong-Mei; Mei, Xiang-Dong","Crystal structure of (2Z,2′Z)-1,1′-(pyridine-2,6-diyl) bis(3-hydroxy-3-phenylprop-2-en-1-one), C23H17NO4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","91","93","10.1515/ncrs-2018-0200","","","0.71073","MoKα","","0.0521","0.0419","","","0.1031","0.1086","","","","","","1.029","","","","has coordinates","276378","2022-06-29","07:28:57",""
"8105626","21.36266","0.00013","11.83583","0.00008","12.09985","0.00009","90","","90","","90","","3059.38","0.04","173","0.1","173.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H34 Br N5 O2 -","- C34 H34 Br N5 O2 -","- C136 H136 Br4 N20 O8 -","4","1","","Xing, Ai-Ping; Zeng, Dai; Wang, Xin-Ling","Crystal structure of (E)-2-(((6-bromopyridin-2-yl)methylene)amino)-3′,6′-bis(diethylamino)spiro[isoindoline-1,9′-xanthen]-3-one, C34H34N5O2Br","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","309","311","10.1515/ncrs-2018-0365","","","1.54184","CuKα","","0.0512","0.0507","","","0.1394","0.1401","","","","","","1.073","","","","has coordinates","276526","2022-07-04","09:03:15",""
"8105712","22.9142","0.0018","7.3271","0.0006","14.7386","0.0011","90","","90","","90","","2474.5","0.3","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H27 Cu N3 O7 -","- C27 H27 Cu N3 O7 -","- C108 H108 Cu4 N12 O28 -","4","1","","Xu, Xingman; Sun, Renqiang","Crystal structure of (2,2′-((naphthalen-1-ylmethyl)azanediyl)diacetato-κ3 N,O,O′)-(1,10-phenanthroline-κ2 N,N′)-copper(II) trihydrate, CuC27H27N3O7","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","417","419","10.1515/ncrs-2022-0050","","","0.71073","MoKα","","0.0603","0.0443","","","0.0923","0.099","","","","","","1.021","","","","has coordinates","277453","2022-08-30","07:36:13",""
"8105801","22.2821","0.0008","10.8464","0.0004","10.8509","0.0004","90","","90","","90","","2622.45","0.17","100","2","100.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H19 N3 -","- C14 H19 N3 -","- C112 H152 N24 -","8","2","","Yerima, Iliya B.; Zamisa, Sizwe J.; Bala, Muhammad D.","Crystal structure of 4-tert-butyl-1-(2,6-dimethylphenyl)-1H-1,2,3-triazole, C14H19N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","625","627","10.1515/ncrs-2018-0574","","","0.71073","MoKα","","0.0331","0.0318","","","0.0853","0.0865","","","","","","1.04","","","","has coordinates","278002","2022-09-20","09:16:36",""
"8106181","22.8108","0.001","9.8328","0.0005","8.7361","0.0003","90","","90","","90","","1959.46","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-propionyl-3-(phenyl)-5-(1-anthryl) pyrazoline","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C104 H88 N8 O4 -","4","1","","Zhu, Pingting; Zhou, Jiaojiao","Crystal structure of (S)-1-(5-(anthracen-9-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one, C26H22N2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","455","456","10.1515/ncrs-2017-0347","","","0.71073","MoKα","","0.053","0.038","","","0.0798","0.0853","","","","","","1.071","","","","has coordinates","279429","2022-11-21","09:30:47",""
"8106423","25.4796","0.0011","6.7503","0.0003","18.9971","0.0009","90","","90","","90","","3267.4","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C136 H168 Cl8 N16 S8 -","8","2","","Al-Omary, Fatmah A. M.; Al-Rasheed, Lamees S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-(3-chlorophenyl)thiourea, C17H21ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","33","35","10.1515/ncrs-2016-0117","","","1.54178","CuKα","","0.0577","0.0448","","","0.0992","0.1057","","","","","","1.042","","","","has coordinates","280152","2023-01-06","08:39:37",""
"8106483","14.3074","0.0016","8.5321","0.0012","12.2534","0.0019","90","","90","","90","","1495.8","0.4","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Radi, Smaail; Tighadouini, Said; Eddike, Driss; Tillard, Monique; Mabkhot, Yahia N.","Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-(4-ethoxyphenyl)-3-hydroxyprop-2-en-1-one, C16H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","207","208","10.1515/ncrs-2016-0196","","","0.71073","MoKα","","0.1237","0.0594","","","0.1108","0.1266","","","","","","0.979","","","","has coordinates","280378","2023-01-17","10:13:03",""
"8106709","19.053","0.004","9.0666","0.0018","16.439","0.003","90","","90","","90","","2839.8","1","123","2","123","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H32 B Fe N10 O2 -","- C24 H32 B Fe N10 O2 -","- C96 H128 B4 Fe4 N40 O8 -","4","1","","Ni, Zhong-Hai; Sun, Hao","Crystal structure of tris(cyano-(hydrogen tris(3,5-dimethylpyrazolyl)borate))-iron(III) 4-methoxypyridinium monohydrate, C24H32BN10O2Fe","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","885","887","10.1515/ncrs-2017-0039","","","0.71073","MoKα","","0.0793","0.0482","","","0.1052","0.1194","","","","","","1.012","","","","has coordinates","280809","2023-02-07","10:30:56",""
"8106716","18.528","0.006","8.123","0.002","20.797","0.006","90","","90","","90","","3130","1.6","296","2","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H24 N2 O4 -","- C15 H24 N2 O4 -","- C120 H192 N16 O32 -","8","2","","Yuan, Lin; Li, Zhong-Yan; Yuan, Xian-You; Zhang, Min","Crystal structure of (E)-5-(diethylamino)-2-(((1,1,2-trihydroxyethyl)iminio)methyl)phenolate, C15H24N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","905","907","10.1515/ncrs-2017-0063","","","0.71073","MoKα","","0.0453","0.0396","","","0.103","0.1082","","","","","","1.055","","","","has coordinates","280817","2023-02-08","09:51:18",""
"8106794","19.5516","0.0019","4.8474","0.0005","19.3396","0.0019","90","","90","","90","","1832.9","0.3","190","2","190","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H22 B N3 O7 -","- C17 H22 B N3 O7 -","- C68 H88 B4 N12 O28 -","4","1","","Ge, Chunhua; Liu, Juanjuan; Xü, Zhe; Zhang, Yang; Zhang, Xiangdong","Crystal structure of (E)-4-nitro-2-(((3-(tetrahydro-8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxaborol-8-yl)phenyl)imino)methyl)phenol – water (1/2), C17H18BN3O5·2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","89","91","10.1515/ncrs-2015-0046","","","0.71073","MoKα","","0.0681","0.055","","","0.1003","0.1065","","","","","","1.12","","","","has coordinates","281208","2023-03-01","09:37:54",""
"8106829","22.6015","0.0012","7.1344","0.0004","7.3789","0.0004","90","","90","","90","","1189.83","0.11","298","2","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Benites, Julio; Valderrama, Jaime A.; Ríos, David; Cárdenas, Alejandro; Brito, Iván","Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C14H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","213","214","10.1515/ncrs-2015-0094","","","0.71073","MoKα","","0.0827","0.0647","","","0.1667","0.1864","","","","","","1.062","","","","has coordinates","281649","2023-03-06","08:03:24",""
"8106836","7.686","0.005","10.161","0.005","19.899","0.005","90","0.005","90","0.005","90","0.005","1554.1","1.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","6-Chloro-2,4-diphenylquinoline","","- C21 H14 Cl N -","- C21 H14 Cl N -","- C84 H56 Cl4 N4 -","4","1","","Van Tonder, Johannes; Visser, Hendrik G.; Koen, Renier","The crystal structure of 6-chloro-2,4-diphenylquinoline","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","233","235","10.1515/ncrs-2015-0102","","","0.71073","MoKα","","0.034","0.0318","","","0.0765","0.0783","","","","","","1.066","","","","has coordinates","281656","2023-03-06","08:36:51",""
"8106844","16.387","0.004","12.389","0.003","11.167","0.003","90","","90","","90","","2267.1","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H26 Co N2 O9 -","- C21 H26 Co N2 O9 -","- C84 H104 Co4 N8 O36 -","4","1","","Xing-Hong, Chang","Crystal structure of catena-poly-(diaqua-(μ 2-1,2-bis(4-pyridyl)ethene-κ2 N:N′)-(4-methylphthalato-κ2 O,O′)-cobalt(II)trihydrate, C21H26CoN2O9","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","259","261","10.1515/ncrs-2015-0114","","","0.71073","MoKα","","0.1187","0.0444","","","0.0666","0.0839","","","","","","0.664","","","","has coordinates","281664","2023-03-06","10:06:14",""
"8107233","20.235","0.002","6.5462","0.0008","27.386","0.003","90","","90","","90","","3627.6","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H34 Cl4 N8 Zn -","- C30 H34 Cl4 N8 Zn -","- C120 H136 Cl16 N32 Zn4 -","4","1","","Liu, Hui-Jin","The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","849","851","10.1515/ncrs-2022-0226","","","0.71073","MoKα","","0.0844","0.0477","","","0.0974","0.1128","","","","","","0.968","","","","has coordinates","283926","2023-05-22","08:27:00",""
"8107286","13.5004","0.0004","13.5677","0.0003","14.2006","0.0004","90","","90","","90","","2601.12","0.12","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C36 H26 Te -","- C36 H26 Te -","- C144 H104 Te4 -","4","1","","Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto","Crystal structure of di([1,1′:3′,1″-terphenyl]-2′-yl)tellane, C36H26Te","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1037","1039","10.1515/ncrs-2022-0367","","x-ray","0.71073","MoKα","","0.0313","0.0247","","","0.0509","0.053","","","","","","1.039","","","","has coordinates","284125","2023-06-01","07:10:57",""
"8107332","22.6173","0.0013","4.873","0.0003","9.9921","0.0005","90","","90","","90","","1101.27","0.11","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H11 N5 O2 -","- C10 H11 N5 O2 -","- C40 H44 N20 O8 -","4","1","","Nie, Jing; Jiahui, Mou; Wenxiang, Wang","The crystal structure of 1-methyl-N-(1-methyl-1H-imidazole-2-carbonyl)-1H-imidazole-2-carboxamide, C10H11N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1195","1196","10.1515/ncrs-2022-0461","","","0.71073","MoKα","","0.0713","0.044","","","0.0869","0.0999","","","","","","1.091","","","","has coordinates","284427","2023-06-09","07:17:39",""
"8107519","14.27","0.003","9.918","0.002","17.603","0.004","90","","90","","90","","2491.4","0.9","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H42 Cl N5 Ni O7 -","- C18 H42 Cl N5 Ni O7 -","- C72 H168 Cl4 N20 Ni4 O28 -","4","1","","Zhang, Zu-Jiao; Ou, Guang-Chuan","Crystal structure of (glycinto-κ 2 O,N ′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ 4 N,N ′,N ″,N ‴]nickel(II) perchlorate monohydrate C18H42ClN5NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","645","647","10.1515/ncrs-2023-0131","","","0.71073","MoKα","","0.0646","0.0382","","","0.0761","0.0861","","","","","","1.029","","","","has coordinates","286408","2023-09-19","07:45:02",""
"8107643","6.0941","0.0006","7.3417","0.0007","24.394","0.002","90","","90","","90","","1091.41","0.17","","","200","","","","","","","","","4","P c a 21","P 2c -2ac","29","4-bromo-4'-methoxy-biphenyl,","","","- C13 H11 Br O -","- C13 H11 Br O -","- C52 H44 Br4 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of 4-bromo-4’-methoxy-biphenyl, at 200 K, C13H11BrO","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","29","30","10.1515/ncrs-2014-0233","","x-ray","0.71073","MoKα","","","0.0472","","","0.1175","","","","","","","","","","","has coordinates","287509","2023-11-10","09:05:07",""
"9000133","5.582","","5.582","","5.582","","90","","90","","90","","173.928","","","","","","","","","","annealed after heating in a vacuum at 450 C","","","3","P c a 21","P 2c -2ac","29","","","Cobaltite","- As Co S -","- As Co S -","- As4 Co4 S4 -","4","1","","Giese, R. F.; Kerr, P. F.","The crystal structures of ordered and disordered cobaltite ordered, annealed after heating in a vacuum at 450 C","American Mineralogist","1965","50","","1002","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000781","5.766","","11.274","","14.887","","90","","90","","90","","967.743","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","Klebelsbergite","- H2 O10 S Sb4 -","- H2 O10 S Sb4 -","- H8 O40 S4 Sb16 -","4","1","","Manchetti, S.; Sabelli, C.","The crystal structure of klebelsbergite Sb4O4(OH)2SO4","American Mineralogist","1980","65","","931","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:10",""
"9000864","5.592","","5.587","","5.567","","90","","90","","90","","173.927","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","Cobaltite","- As Co S -","- As Co S -","- As4 Co4 S4 -","4","1","","Bayliss, P.","A further crystal structure refinement of cobaltite","American Mineralogist","1982","67","","1048","1057","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000865","5.622","","5.622","","5.622","","90","","90","","90","","177.694","","","","","","","","","","","","Garson mine, Sudbury, Ontario, Canada","5","P c a 21","P 2c -2ac","29","","","Gersdorffite-Pca21","- As1.04 Co0.27 Fe0.19 Ni0.54 S0.96 -","- As1.04 Co0.27 Fe0.19 Ni0.54 S0.96 -","- As4.16 Co1.08 Fe0.76 Ni2.16 S3.84 -","4","1","","Bayliss, P.","A further crystal structure refinement of gersdorffite Sample: M15861","American Mineralogist","1982","67","","1058","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001248","6.025","","6.025","","6.025","","90","","90","","90","","218.711","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","Tolovkite","- Ir S Sb -","- Ir S Sb -","- Ir4 S4 Sb4 -","4","1","","Bayliss, P.","Crystal chemistry and crystallography of some minerals within the pyrite group","American Mineralogist","1989","74","","1168","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001675","12.672","","7.217","","5.341","","90","","90","","90","","488.455","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","Nchwaningite","- H4 Mn2 O6 Si -","- H4 Mn2 O6 Si -","- H16 Mn8 O24 Si4 -","4","1","","Nyfeler, D.; Armbruster, T.; Dixon, R.; Bermanec, V.","Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the N'chwaning mine, Kalahari manganese field, South Africa","American Mineralogist","1995","80","","377","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9004218","5.5833","","5.5892","","5.5812","","90","","90","","90","","174.168","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","Cobaltite","- As Co S -","- As Co S -","- As4 Co4 S4 -","4","1","","Fleet, M. E.; Burns, P. C.","Structure and twinning of cobaltite","The Canadian Mineralogist","1990","28","","719","723","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9007725","24.97","","4.009","","9.116","","90","","90","","90","","912.555","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 Cl Cu N3 O2 -","- C6 H10 Cl Cu N3 O2 -","- C24 H40 Cl4 Cu4 N12 O8 -","4","1","","Norman, R. E.; Rose, N. J.; Stenkamp, R. E.","Mono-amino-acid-copper complexes: syntheses and structures of chloro(glycinato)(methanol)copper(II) and chloro(glycinato) (1-methylimidazole)copper(II)","Acta Crystallographica, Section C","1990","46","","1","6","10.1107/S0108270189005238","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007869","30.385","","10.047","","14.402","","90","","90","","90","","4396.62","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C45 As2 O8 Ru3 -","- C45 H37 As2 O8 Ru3 -","- C180 H148 As8 O32 Ru12 -","4","1","","Fun, H. K.; Bin Shawkataly, O.; Teohs, S. G.","The structure of 1,1,1,2,2,2,3,3-octacarbonyl-u-(1-3-n-cyclododeca-1,6,9- trien-1-yl-3-ylidene)-2,3-u-hydrido-3-[(As,As,As',As'-tetraphenyl)methylenebis (arsine)-As]-triangula-triruthenium(0)(3 Ru-Ru)","Acta Crystallographica, Section C","1990","46","","2329","2331","10.1107/S0108270190004565","","","","","","","","","","","","","","","","","","","","","has coordinates","282476","2023-04-06","11:33:50",""
"9007984","16.292","","7.2154","","13.68","","90","","90","","90","","1608.13","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cs2 O15 Si6 Th -","- Cs2 O15 Si6 Th -","- Cs8 O60 Si24 Th4 -","4","1","","Woodward, J. D.; Almond, P. M.; Albrecht-Schmitt T E","Caesium thorium silicate, Cs2ThSi6O15","Acta Crystallographica, Section E","2005","61","","i58","i60","10.1107/S1600536805008421","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008222","8.5496","","8.5496","","12.091","","90","","90","","90","","883.8","","","","","","","","","","","","Solvayshall, Roschwitz, Germany","4","P c a 21","P 2c -2ac","29","","","Boracite","- B7 Cl Mg3 O13 -","- B7 Cl Mg3 O13 -","- B28 Cl4 Mg12 O52 -","4","1","","Dowty, E.; Clark, J. R.","Crystal-structure refinements for orthorhombic boracite, Mg3B7O13Cl, and a trigonal, iron-rich analogue Note: [.25 .25 0] added to all atoms to move origin to screw axis","Zeitschrift fur Kristallographie","1973","138","","64","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008435","8.678","","8.688","","12.29","","90","","90","","90","","926.598","","","","","","","","","","","","Synthetic","4","P c a 21","P 2c -2ac","29","","","Chambersite","- B7 Cl Mn3 O13 -","- B7 Cl Mn3 O13 -","- B28 Cl4 Mn12 O52 -","4","1","","Kubel, F.; Crottaz, O.","Crystal structure of manganese chlorine boracite, Mn3B7O13Cl","Zeitschrift fur Kristallographie","1996","211","","924","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9011141","10.161","","5.363","","7.862","","90","","90","","90","","428.427","","","","","","","","","","","","Synthetic","3","P c a 21","P 2c -2ac","29","","","Schmitterite","- O5 Te U -","- O5 Te U -","- O20 Te4 U4 -","4","1","","Meunier, G.; Galy, J.","Structure cristalline de la schmitterite synthetique UTeO5","Acta Crystallographica, Section B","1973","29","","1251","1255","10.1107/S0567740873004334","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011351","5.4822","","16.1986","","5.5091","","90","","90","","90","","489.23","","","","","","","","","","","","Synthetic","3","P c a 21","P 2c -2ac","29","","","Koechlinite","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi8 Mo4 O24 -","4","1","","Teller, R. G.; Brazdil, J. F.; Grasselli, R. K.; Jorgensen, J. D.","The structure of gamma-bismuth molybdate, Bi2MoO6, by powder neutron diffraction Locality: synthetic","Acta Crystallographica, Section C","1984","40","","2001","2005","10.1107/S0108270184010398","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011799","5.43726","","16.43018","","5.45842","","90","","90","","90","","487.629","","","","","","","","","","","","Synthetic","3","P c a 21","P 2c -2ac","29","","","Russellite","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","1","","Knight, K. S.","The crystal structure of russellite; a re-determination using neutron powder diffraction of synthetic Bi2WO6","Mineralogical Magazine","1992","56","","399","409","10.1180/minmag.1992.056.384.13","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012852","13.197","","7.973","","8.096","","90","","90","","90","","851.859","","","","","","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- O S8 -","- O S8 -","- O4 S32 -","4","1","","Luger, P.; Bradaczek, H.; Steudel, R.; Rebsch, M.","Rontgenstrukturanalyse von cyclooctaschwefeloxid","Chemische Berichte","1976","109","","180","184","10.1002/cber.19761090117","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013820","12.161","","40.477","","10.1843","","90","","90","","90","","5013.13","","","","","","","","","","","","Santa Rosa mine, Sijes, Salta, Argentina","4","P c a 21","P 2c -2ac","29","","","Alfredstelznerite","- B16 Ca4 H62 O59 -","- B16 Ca4 H62 O59 -","- B64 Ca16 H248 O236 -","4","1","","Cooper, M. A.; Hawthorne, F. C.; Galliski, M. A.; Marquez-Zavalia M F","The crystal structure of alfredstelznerite, Ca4(H2O)4[B4O4(OH)6]4(H2O)15, a complex hydroxy-hydrated calcium borate mineral","The Canadian Mineralogist","2010","48","","129","138","10.3749/canmin.48.1.129","","","","","","","","","","","","","","","","","","","","","has coordinates","288344","2023-12-15","15:57:33",""
"9014871","8.54","","8.54","","12.07","","90","","90","","90","","880.284","","","","","","","","","","","","Stassfurt, Germany","4","P c a 21","","","","","Boracite","- B7 Cl Mg3 O13 -","- B28 Cl4 Mg12 O52 -","- B28 Cl4 Mg12 O52 -","","","","Ito, T.; Morimoto, N.; Sadanaga, R.","The crystal structure of boracite","Acta Crystallographica","1951","4","","310","316","10.1107/S0365110X51001033","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016323","10.6522","","9.163","","9.6011","","90","","90","","90","","937.126","","","","","","","","","","","","Otto Mountain near Baker, California, USA","6","P c a 21","P 2c -2ac","29","","","Agaite","- C H2 Cu O10 Pb3 Te -","- C H2 Cu O10 Pb3 Te -","- C4 H8 Cu4 O40 Pb12 Te4 -","4","1","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX. Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets","American Mineralogist","2013","98","","512","517","10.2138/am.2013.4219","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016767","12.672","","7.217","","5.341","","90","","90","","90","","488.455","","","","","","","","","","","","N'chwaning mine, South Africa","8","P c a 21","P 2c -2ac","29","","","Nchwaningite","- Al0.012 Ca0.008 Fe0.008 H4 Mg0.106 Mn1.85 O6 Si -","- Al0.048 Ca0.032 Fe0.032 H16 Mg0.424 Mn7.4 O24 Si4 -","- Al0.048 Ca0.032 Fe0.032 H16 Mg0.424 Mn7.4 O24 Si4 -","","","","Nyfeler, D.; Armbruster, T.; Dixon, R.; Bermanec, V.","Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the N'chwaning mine, Kalahari manganese field, South Africa","American Mineralogist","1995","80","","377","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:21:00",""
"9017091","5.7563","","11.2538","","14.8627","","90","","90","","90","","962.809","","","","","","","","","","","","Synthetic","4","P c a 21","P 2c -2ac","29","","","Klebelsbergite","- H2 O10 S Sb4 -","- H8 O40 S4 Sb16 -","- H8 O40 S4 Sb16 -","","","","Roper, A. J.; Leverett, P.; Murphy, T. D.; Williams, P. A.; Hibbs, D. E.","Klebelsbergite, Sb4O4SO4(OH)2: Stability relationships, formation in nature, and refinement of its structure","American Mineralogist","2015","100","","602","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""