# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-11T17:09:53+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C 1 c 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000036","5.33","0.05","9.18","0.05","28.85","0.1","90","","93.25","0.25","90","","1409.3","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Trimagnesium dihydrogen phyllo-silicate","Vermiculite","- H2 Mg3 O12 Si4 -","- H2 Mg3 O12 Si4 -","- H8 Mg12 O48 Si16 -","4","1","","Hendricks, S B; Jefferson, M E","Crystal structure of vermiculites and mixed vermiculite-chlorites","American Mineralogist","1938","23","","851","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000216","10.695","0.002","9.932","0.002","5.654","0.001","90","","118.53","0.02","90","","527.7","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Barium copper iron fluoride","","- Ba Cu F7 Fe -","- Ba Cu F7 Fe -","- Ba4 Cu4 F28 Fe4 -","4","1","","Renaudin, J; Calage, Y; Samouel, M; Kozak, A de; Leblanc, M; Ferey, G","Complex copper II fluorides. II.- Crystal structure, magnetic properties and Moessbauer study of the partly disordered ferrimagnet BaCuFeF~7~","Revue de Chimie Minerale","1985","22","","74","87","","","","","","","0.0203","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000341","11.446","0.002","9.304","0.002","7.252","0.002","90","","126.67","0.02","90","","619.4","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Barium hexafluorooxotitanate","","- Ba2 F6 O Ti -","- Ba2 F6 O Ti -","- Ba8 F24 O4 Ti4 -","4","1","","Crosnier, M P; Fourquet, J L","Synthesis and crystal structure of a new acentric oxyfluoride: Ba~2~TiOF~6~","Journal of Solid State Chemistry","1992","99","","355","363","10.1016/0022-4596(92)90324-O","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000378","6.0956","0.0004","10.5645","0.0006","13.623","0.0008","90","","107.101","0.003","90","","838.5","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Copper indium hexathiodiphosphate(IV) (1/1/1)","","- Cu0.975 In P2 S6 -","- Cu0.975 In P2 S6 -","- Cu3.9 In4 P8 S24 -","4","1","","Maisonneuve, V; Evain, M; Payen, C; Cajipe, V B; Molinie, P","Room-temperature crystal structure of the layered phase Cu(I) In(III) P2 S6","Journal of Alloys Compd.","1995","218","","157","164","10.1016/0925-8388(94)01416-7","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001253","13.201","0.015","7.813","0.004","12.2","0.08","90","","108.72","","90","","1191.7","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Pentamminecarbamatocobalt(III) nitrate","","- C H17 Co N8 O8 -","- C H17 Co N8 O8 -","- C4 H68 Co4 N32 O32 -","4","1","","Bernard, M A; Borel, M M; Grandin, A; Leclaire, A","Mise en evidence du ligand carbamato synthetise en milieu aqueux. Structure de Co (O C O N H~2~) (N H~3~)~5~ (N O~3~)~2~","Revue de Chimie Minerale","1979","16","","477","484","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001294","8.286","0.001","9.408","0.002","7.987","0.002","90","","101.3","0.2","90","","610.6","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIARSENIDE BROMIDE","","- As3 Br Cd2 -","- As3 Br Cd2 -","- As12 Br4 Cd8 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001295","8.243","0.001","9.334","0.002","7.516","0.002","90","","99.8","0.2","90","","569.8","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIPHOSPHIDE IODIDE","","- Cd2 I P3 -","- Cd2 I P3 -","- Cd8 I4 P12 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001296","8.077","0.001","9.088","0.002","7.534","0.003","90","","100.3","0.2","90","","544.1","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIPHOSPHIDE BROMIDE","","- Br Cd2 P3 -","- Br Cd2 P3 -","- Br4 Cd8 P12 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001297","7.969","0.001","8.984","0.002","7.554","0.002","90","","100.8","0.1","90","","531.2","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIPHOSPHIDE CHLORIDE","","- Cd2 Cl P3 -","- Cd2 Cl P3 -","- Cd8 Cl4 P12 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001837","8.436","0.001","9.594","0.002","7.952","0.002","90","","100.65","0.02","90","","632.5","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cadmium arsenide iodide (2/3/1)","","- As3 Cd2 I -","- As3 Cd2 I -","- As12 Cd8 I4 -","4","1","","Rebbah, A; Leclaire, A; Yazbeck, J; Deschanvres, A","Structure de l'iodure de cadmium et d'arsenic Cd2 As3 I","Acta Crystallographica B (24,1968-38,1982)","1979","35","","2197","2199","10.1107/S0567740879008773","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004025","12.645","0.0007","10.8477","0.0005","14.6311","0.0004","90","","98.793","0.005","90","","1983.3","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Octakis(dimethylammonium) octakis(hydrogenphosphato(V))octakis(dihydrogenphosphato(V))octazincate tetrahydrate","","- C16 H96 N8 O68 P16 Zn8 -","- C16 H96 N8 O68 P16 Zn8 -","- C16 H96 N8 O68 P16 Zn8 -","1","0.25","","Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V.","Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","373","387","10.1016/S0992-4361(98)80433-5","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","205545","2020-10-21","18:00:00",""
"1004058","7.758","0.003","17.587","0.009","7.356","0.003","90","","119.91","0.03","90","","870","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Dithallium thallium(III) hydroxide bis(sulfate)","","- H O9 S2 Tl3 -","- H O9 S2 Tl3 -","- H4 O36 S8 Tl12 -","4","1","","Abraham, F; Nowogrocki, G; Jolibois, B; Laplace, G","On Basic Thallium Sulfates: Structure of Tl~2~ Tl OH(SO~4~)~2~","Journal of Solid State Chemistry","1983","47","","1","5","10.1016/0022-4596(83)90033-6","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007048","9.512","0.006","11.74","0.02","14.74","0.02","90","","106.13","0.05","90","","1581.2","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Potassium tetrakis(chromato)phosphate","","- Cr4 K3 O16 P -","- Cr4 K3 O16 P -","- Cr16 K12 O64 P4 -","4","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structure of K~3~ P Cr~4~ O~16~: A second example of a quaternary phosphorus","Journal of Solid State Chemistry","1981","38","","253","258","10.1016/0022-4596(81)90042-6","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007064","13.741","0.008","6.631","0.002","11.405","0.007","90","","106.75","0.05","90","","995.1","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tellurium diammonium hexahydroxide sulfate","","- H14 N2 O10 S Te -","- H28 N2 O10 S Te -","- H112 N8 O40 S4 Te4 -","4","1","","Zilber, R; Durif, A; Averbuch-Pouchot, M T","Structure of Ammonium Sulfate Tellurate Te (O H)~6~ (N H~4~)~2~ S O~4~","Acta Crystallographica B (24,1968-38,1982)","1981","37","","650","652","10.1107/S0567740881003786","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007215","24.268","0.014","6.7","0.003","20.586","0.013","90","","112.06","0.06","90","","3102.1","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Octaammonium cyclo-octaphosphate trihydrate","","- H38 N8 O27 P8 -","- H38 N8 O27 P8 -","- H152 N32 O108 P32 -","4","1","","Schuelke, U; Averbuch-Pouchot, M T; Durif, A","Preparation and crystal structure of ammonium cyclooctaphosphate trihydrate: (NH~4~)~8~P~8~O~24~ . 3H~2~O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","374","380","10.1002/zaac.19936190223","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1007242","10.94","","12.25","","7.904","","90","","100.49","","90","","1041.6","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Dipotassium copper catena-phosphate","","- Cu K2 O12 P4 -","- Cu K2 O12 P4 -","- Cu4 K8 O48 P16 -","4","1","","Laugt, M; Durif, A","Etude systematique des phosphates condenses","Seminaire de Chimie de l'Etat Solide 1971-72","1972","1972","","157","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008019","10.211","0.009","16.56","0.01","5.632","0.003","90","","103.73","0.01","90","","925.1","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Ammonium cadmium sodium diphosphate trihydrate","","- Cd H10 N Na O10 P2 -","- Cd H10 N Na O10 P2 -","- Cd4 H40 N4 Na4 O40 P8 -","4","1","","Averbuch-Pouchot, M T; Guitel, J C","Donnees cristallochimiques sur deux nouveaux diphosphates mixtes, Ca N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et structure cristalline de Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3460","3462","10.1107/S0567740877011194","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008173","9.712","0.007","11.98","0.008","14.9","0.01","90","","106.02","0.01","90","","1666.3","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rubidium tetrachromatophosphate","","- Cr4 O16 P Rb3 -","","","4","1","","Averbuch-Pouchot, M T","Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","315","317","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008174","9.804","0.006","11.96","0.01","14.92","0.01","90","","105.91","0.01","90","","1682.4","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rubidium tetrachromatoarsenate","","- As Cr4 O16 Rb3 -","","","4","1","","Averbuch-Pouchot, M T","Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","315","317","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1011045","5.148","","8.92","","14.535","","90","","100.2","","90","","656.9","","","","","","","","","","","","from Brooklyn, New York","4","C 1 c 1","C -2yc","9","","Aluminium silicate hydroxide *","Kaolinite 2M","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","1","","Gruner, W J","The Crystal Structure of Kaolinite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","75","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011062","8.94","0.02","5.14","0.02","43","0.2","90","","90.33","0.17","90","","1975.9","","","","","","","","","","","","from St. Peters Dome, Pike's peak, Colorado, USA","4","C 1 c 1","C -2yc","9","","Dialuminium phyllo-disilicate tetrahydroxide","Nacrite 6M","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al24 H48 O108 Si24 -","12","3","","Hendricks, S B","The Crystal Structure of Nacrite Al2 O3 * 2Si O2 * 2H2 O and the Polymorphism of the Kaolin Minerals.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","100","","509","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011080","5.16","0.02","8.93","0.02","28.65999","0.04","90","","91.72","0.25","90","","1320","","","","","","","","","","","","from Brand,Saxony","4","C 1 c 1","C -2yc","9","","Dialuminium phyllo-disilicate tetrahydroxide *","Nacrite 4M","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al16 H32 O72 Si16 -","8","2","","Gruner, J W","The crystal structure of Nacrite and a comparison of certain optical properties of the caolin group with its structures","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100128","7.127","0.002","29.816","0.009","6.928","0.0004","90","","112.56","0.03","90","","1359.54","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Trisodium Ytterbium Dicarbonate Difluoride","","- C2 F2 Na3 O6 Yb -","- C2 F2 Na3 O6 Yb -","- C16 F16 Na24 O48 Yb8 -","8","2","","Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2","Solid State Sciences","2002","4","11-12","1367","1375","10.1016/S1293-2558(02)00024-9","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100349","15.3","0.003","10.13","0.002","19.369","0.004","90","","109.6","0.03","90","","2828.04","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H44 Li O4 Si -","- C28 H43 Li O4 Si -","- C112 H172 Li4 O16 Si4 -","4","1","","Boche, Gernot; Opel, Achim; Marsch, Michael; Harms, Klaus; Hallera, Friederike; Lohrenz, John C. W.; Thümmler, Christina; Koch, Wolfram","α-Oxygen-Substituted Organolithium Compounds and Their Carbenoid Nature: Calculations of the Configurational Stability and of LiCH~2~OH Model Structures, Crystal Structure of Diphenyl(trimethylsilyloxy)methyllithium · 3 THF, and the Stereochemistry of the (Reverse) Brook Rearrangement","Chemische Berichte","1992","125","10","2265","2273","10.1002/cber.19921251015","","","","","","","","","","","","","","","","","","","","","has coordinates","177572","2020-10-21","18:00:00",""
"1100373","9.29","0.002","19.368","0.004","17.159","0.003","90","","99.63","0.02","90","","3043.89","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H40 Br2 Mg O4 -","- C30 H40 Br2 Mg O4 -","- C120 H160 Br8 Mg4 O16 -","4","1","","Boche, Gernot; Harms, Klaus; Marsch, Michael; Müller, Achim","9-Bromo-9-[(bromomagnesium)methylene]fluorene‒tetrahydrofuran (1/4) structure of a MgBr/Br carbenoid","Journal of the Chemical Society, Chemical Communications","1994","","11","1393","1394","10.1039/c39940001393","","","","","","","","","","","","","","","","","","","","","has coordinates","178000","2020-10-21","18:00:00",""
"1100485","13.027","0.001","13.217","0.001","16.72","0.001","90","","111.71","0.01","90","","2674.61","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H42 Cl3 N2 Nb P2 -","- C18 H36 Cl3 N2 Nb P2 -","- C72 H144 Cl12 N8 Nb4 P8 -","4","1","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100487","13.039","0.003","13.272","0.002","16.821","0.004","90","","111.92","0.01","90","","2700.49","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H42 Cl3 N2 P2 Ta -","- C18 H42 Cl3 N2 P2 Ta -","- C72 H168 Cl12 N8 P8 Ta4 -","4","1","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100706","9.0697","0.0005","11.5456","0.0006","13.9266","0.0008","90","","102.3","0.001","90","","1424.85","0.14","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H2 In O14 Rb3 Si5 -","- H2 In O14 Rb3 Si5 -","- H8 In4 O56 Rb12 Si20 -","4","1","","Ling-I Hung; Sue-Lein Wang; Chia-Yi Chen; Bor-Chen Chang; Kwang-Hwa Lii","Rb3In(H2O)Si5O13: A Novel Indium Silicate with a CdSO4-Topological-Type Structure","Inorganic Chemistry","2005","44","","2992","2994","10.1021/ic048296n","","","0.71073","MoKα","","0.0211","0.0209","","","0.0521","0.0522","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100942","21.1704","0.0018","30.04","0.003","14.8373","0.0013","90","","133.379","0.001","90","","6858.3","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28.5 H21.25 Cl3 N6.75 O14 Ru -","- C28.5 H21.25 Cl3 N6.75 O14 Ru -","- C228 H170 Cl24 N54 O112 Ru8 -","8","2","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.71073","MoKα","","0.0475","0.0423","","","0.1127","0.117","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100978","5.3546","0.0012","15.7642","0.0008","15.773","0.002","90","","96.989","0.003","90","","1321.5","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","[CdI2(N,N'-dimethylbiimidazole)]n","","","- C8 H10 Cd I2 N4 -","- C8 H10 Cd I2 N4 -","- C32 H40 Cd4 I8 N16 -","4","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.1072","0.079","","","0.1394","0.1528","","","","","","1.813","","","","has coordinates","198386","2020-10-21","18:00:00",""
"1101060","6.6046","0.001","14.487","0.002","9.9594","0.0012","90","","93.379","0.01","90","","951.3","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H4 Ag Cl N4 O5 -","- C5 H4 Ag Cl N4 O5 -","- C20 H16 Ag4 Cl4 N16 O20 -","4","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.","Dalton Transactions","2001","","","1798","1801","10.1039/B100869M","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501855","8.782","0.004","19.177","0.008","9.362","0.004","90","","113.9","0.02","90","","1441.5","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","ABIV-293","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier","DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.","Organic letters","2011","13","2","192","195","10.1021/ol102454e","","","1.54178","CuKα","","0.0365","0.0343","","","0.0834","0.0851","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501879","16.7182","0.0013","15.0048","0.0012","9.8096","0.0008","90","","102.86","0.0008","90","","2399","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H29 N3 O3 -","- C28 H29 N3 O3 -","- C112 H116 N12 O12 -","4","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0291","0.028","","","0.0756","0.0765","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501946","18.5397","0.0008","15.0248","0.0006","17.6084","0.0008","90","","103.518","0.005","90","","4769","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H54 N O6 P -","- C57 H54 N O6 P -","- C228 H216 N4 O24 P4 -","4","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.0756","0.0449","","","0.0988","0.1062","","","","","","0.898","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1501974","20.2038","0.0013","5.1569","0.0003","18.62","0.0012","90","","114.023","0.001","90","","1771.96","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","","Deb, Indubhusan; Das, Deepankar; Seidel, Daniel","Redox isomerization via azomethine ylide intermediates: N-alkyl indoles from indolines and aldehydes.","Organic letters","2011","13","4","812","815","10.1021/ol1031359","","","0.71073","MoKα","","0.0238","0.0231","","","0.061","0.0614","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502001","12.118","0.002","13.959","0.003","12.467","0.003","90","","107.72","0.03","90","","2008.8","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.1253","0.0539","","","0.0748","0.0786","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502144","5.997","0.006","19.04","0.019","14.366","0.015","90","","90.985","0.013","90","","1640","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Ren, Hui; Luo, Yong; Ye, Shengqing; Wu, Jie","Silver triflate catalyzed reaction of 2-alkynylbenzaldoxime with aryne.","Organic letters","2011","13","10","2552","2555","10.1021/ol200629y","","","0.71073","MoKα","","0.0601","0.0547","","","0.1426","0.1457","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502242","10.639","0.003","15.23","0.003","10.594","0.002","90","","107.204","0.004","90","","1639.8","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Bhat, Vikram; Mackay, James A.; Rawal, Viresh H.","Directed oxidative cyclizations to C2- or C4-positions of indole: efficient construction of the bicyclo[4.3.1]decane core of welwitindolinones.","Organic letters","2011","13","12","3214","3217","10.1021/ol201122f","","","0.71073","MoKα","","0.0348","0.0332","","","0.075","0.0758","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502247","18.698","0.003","6.3535","0.0004","13.0976","0.0017","90","","123.74","0.009","90","","1293.9","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2,2-difluoro-3-(4-methoxyphenyl)-2H-benzo[e][1,3,2] oxazaborinin-3-ium-2-uide","","- C14 H12 B F2 N O2 -","- C14 H12 B F2 N O2 -","- C56 H48 B4 F8 N4 O8 -","4","1","","Frath, Denis; Azizi, Sébastien; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Facile synthesis of highly fluorescent Boranil complexes.","Organic letters","2011","13","13","3414","3417","10.1021/ol2011665","","","1.54187","CuKα","","0.1443","0.0849","","","0.2289","0.2804","","","","","","0.881","","","","has coordinates","290480","2024-03-13","07:29:09",""
"1502417","14.7468","0.0005","5.0698","0.0002","21.3719","0.0007","90","","100.896","0.002","90","","1569.03","0.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 5-methoxy-4-(4-methoxybenzamido)pentanoate","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Cui, Sunliang; Wojtas, Lukasz; Antilla, Jon C.","Pd-catalyzed C4-olefination of oxazoles via C-H bond activation: divergent synthesis of functionalized amino alcohol and amino acid derivatives.","Organic letters","2011","13","19","5040","5043","10.1021/ol201865h","","","1.54178","CuKα","","0.0379","0.0352","","","0.0828","0.0844","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502439","25.2131","0.0009","10.2122","0.0004","9.6812","0.0003","90","","92.312","0.002","90","","2490.7","0.15","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H25 F O4 -","- C32 H25 F O4 -","- C128 H100 F4 O16 -","4","1","","Fang, Xinqiang; Chen, Xingkuan; Chi, Yonggui Robin","Enantioselective Diels-Alder reactions of enals and alkylidene diketones catalyzed by N-heterocyclic carbenes.","Organic letters","2011","13","17","4708","4711","10.1021/ol201917u","","","0.71073","MoKα","","0.0521","0.0402","","","0.1046","0.1232","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502592","6.8234","0.0001","22.6101","0.0005","9.6941","0.0002","90","","107.665","0.001","90","","1425.06","0.05","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H18 I N O2 -","- C13 H18 I N O2 -","- C52 H72 I4 N4 O8 -","4","1","","Tasker, Sarah Z.; Brandsen, Benjamin M.; Ryu, Keun Ah; Snapper, Gregory S.; Staples, Richard J.; DeKock, Roger L.; Anderson, Carolyn E.","Synthesis of a new class of β-iodo N-alkenyl 2-pyridones.","Organic letters","2011","13","23","6224","6227","10.1021/ol202679t","","x-ray","0.71073","MoKα","","0.0261","0.0208","","","0.041","0.0423","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502703","7.0017","0.0013","13.5124","0.0015","5.017","0.0009","90","","121.37","0.03","90","","405.27","0.17","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- F N3 O2 S -","- F N3 O2 S -","- F4 N12 O8 S4 -","4","1","","Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge","Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3).","The journal of physical chemistry. A","2010","114","28","7624","7630","10.1021/jp103616q","","","0.71073","MoKα","","0.0275","0.026","","","0.0649","0.0655","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502780","11.597","0.002","19.586","0.004","15.383","0.003","90","","100.67","0.03","90","","3433.7","1.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C41 H39 Br Ir N3 -","- C41 H39 Br Ir N3 -","- C164 H156 Br4 Ir4 N12 -","4","1","","Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui","Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects","Macromolecules","2010","43","20","8479","","10.1021/ma101821z","","","0.71073","MoKα","","0.05","0.0426","","","0.1061","0.1086","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502858","15.0518","0.0019","7.8121","0.001","10.9784","0.0014","90","","127.009","0.002","90","","1030.8","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","","Meyer, Angelica M.; Katz, Christopher E.; Li, Sze-Wan; Vander Velde, David; Aubé, Jeffrey","A tandem Prins/Schmidt reaction approach to marine alkaloids: formal and total syntheses of lepadiformines A and C.","Organic letters","2010","12","6","1244","1247","10.1021/ol100113r","","","0.71073","MoKα","","0.078","0.0687","","","0.1559","0.1619","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502938","5.5972","0.0003","22.0274","0.0013","19.8862","0.0011","90","","91.438","0.002","90","","2451","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H24 Cl N O2 -","- C30 H24 Cl N O2 -","- C120 H96 Cl4 N4 O8 -","4","1","","Yu, Xiuzhao; Du, Bo; Wang, Kai; Zhang, Junliang","Highly substituted 2,3-dihydroisoxazoles by Et(3)N-catalyzed tandem reaction of electron-deficient 1,3-conjugated enynes with hydroxylamines.","Organic letters","2010","12","8","1876","1879","10.1021/ol100490y","","","0.71073","MoKα","","0.0486","0.0355","","","0.0749","0.0816","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502967","9.0672","0.0018","21.933","0.004","7.2346","0.0014","90","","110.83","0.03","90","","1344.7","0.5","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H17 N O P -","- C14 H17 N O P -","- C56 H68 N4 O4 P4 -","4","1","","Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola","Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.","Organic letters","2010","12","10","2298","2301","10.1021/ol100658y","","","0.71073","MoKα","","0.0524","0.0442","","","0.1061","0.1109","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503022","18.025","0.004","12.343","0.003","12.143","0.002","90","","120.46","0.03","90","","2328.7","1.1","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C30 H29 N -","- C30 H29 N -","- C120 H116 N4 -","4","1","","Wang, Yuxing; Liao, Qian; Xi, Chanjuan","Copper-catalyzed amination of alkenyl halides: efficient method for the synthesis of enamines.","Organic letters","2010","12","13","2951","2953","10.1021/ol1009416","","","0.71073","MoKα","","0.0417","0.041","","","0.1152","0.1159","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503393","12.3608","0.0007","45.744","0.003","11.5273","0.0007","90","","100.85","0.002","90","","6401.4","0.7","150","","150","","","","","","","","Synthesized by the authors. See text","2","C 1 c 1","C -2yc","9","Hexaphenylbenzene, phenylacetylene solvate","Hexaphenylbenzene, phenylacetylene solvate","","- C92 H66 -","- C92 H66 -","- C368 H264 -","4","1","","Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D.","Hexaphenylbenzenes as potential acetylene sponges.","Organic letters","2010","12","2","380","383","10.1021/ol902723q","","","1.54178","CuKα","","0.0315","0.0312","","","0.0851","0.0854","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503546","19.8924","0.0018","18.594","0.0018","18.4455","0.0018","90","","90.145","0.002","90","","6822.6","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H100 Cl2 N12 O8 -","- C66 H77 Cl2 N12 O8 -","- C264 H308 Cl8 N48 O32 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.0906","0.0817","","","0.2391","0.2592","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503790","12.171","0.002","29.543","0.006","17.148","0.003","90","","101.92","0.03","90","","6033","2","143","2","143","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H72 O18 S4 -","- C58 H72 O18 S4 -","- C232 H288 O72 S16 -","4","1","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0591","0.0409","","","0.0902","0.098","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503918","11.2229","0.0002","22.1408","0.0004","7.3452","0.0001","90","","116.176","0.0009","90","","1637.98","0.05","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H27 N3 O4 Os -","- C14 H27 N3 O4 Os -","- C56 H108 N12 O16 Os4 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.023","0.0225","","0.0584","0.0579","0.0584","","","","","","0.9614","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503987","12.049","0.005","15.856","0.006","8.11","0.003","90","","96.293","0.005","90","","1540.1","1","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0401","0.0376","","","0.1022","0.1044","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504021","8.4941","0.0015","15.472","0.003","15.68","0.003","90","","104.415","0.004","90","","1995.8","0.6","133","2","133","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Methyl (RaSa,10SR,13SR)-13-Hydroxy-13-isopropyl-10,11,12,13,14,15- hexahydro-9H-dibenzo[a,c][11]annulene-10-carboxylate","","- C24 H30 O3 -","- C24 H30 O3 -","- C96 H120 O12 -","4","1","","Saadi, Jakub; Lentz, Dieter; Reissig, Hans-Ulrich","Medium-sized carbocycles by samarium diiodide-induced carbonyl-alkene cyclizations.","Organic letters","2009","11","15","3334","3337","10.1021/ol901183h","","","0.71073","MoKα","","0.0323","0.0315","","","0.0838","0.0846","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504147","14.725","0.01","16.2","0.011","6.768","0.005","90","","91.991","0.007","90","","1613","2","202","2","202","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Barabé, Francis; Bétournay, Geneviève; Bellavance, Gabriel; Barriault, Louis","Gold-catalyzed synthesis of carbon-bridged medium-sized rings.","Organic letters","2009","11","18","4236","4238","10.1021/ol901722q","","","0.71073","MoKα","","0.0635","0.0544","","","0.1214","0.1243","","","","","","1.293","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504431","21.7989","0.0011","10.4434","0.0006","17.3961","0.001","90","","94.427","0.003","90","","3948.5","0.4","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H63 Ca N3 O2 Si2 -","- C35 H63 Ca N3 O2 Si2 -","- C140 H252 Ca4 N12 O8 Si8 -","4","1","","Darensbourg, Donald J.; Choi, Wonsook; Karroonnirun, Osit; Bhuvanesh, Nattamai","Ring-Opening Polymerization of Cyclic Monomers by Complexes Derived from Biocompatible Metals. Production of Poly(lactide), Poly(trimethylene carbonate), and Their Copolymers","Macromolecules","2008","41","10","3493","","10.1021/ma800078t","","","1.54178","CuKα","","0.0322","0.0282","","","0.0679","0.0706","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504578","7.321","0.005","13.267","0.005","16.259","0.005","90","0.005","100.517","0.005","90","0.005","1552.7","1.3","291","2","291","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Wang, Qiaoling; Chen, Chuo","An approach to the core skeleton of lancifodilactone F.","Organic letters","2008","10","6","1223","1226","10.1021/ol800111j","","","0.71069","MoKα","","0.0489","0.0432","","","0.1176","0.1235","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504964","10.1475","0.001","15.3555","0.0014","13.0042","0.0013","90","","100.217","0.002","90","","1994.2","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C96 H84 N12 O4 -","4","1","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0604","0.0435","","","0.113","0.1202","","","","","","0.945","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505045","11.9998","0.0004","18.2129","0.0005","7.9427","0.0002","90","","108.075","0.002","90","","1650.22","0.08","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C26 H16 -","- C26 H15.6 -","- C104 H62.4 -","4","1","","Tong, H.; Dong, Y.; Hong, Y.; Haussler, M.; Lam, J.W.Y.; Sung, H.H.-Y.; Yu, X.; Sun, J.; Williams, I.D.; Kwok, H.S.; Tang, B.Z.","Aggregation-Induced Emission: Effects of Molecular Structure, Solid-State Conformation, and Morphological Packing Arrangement on Light-Emitting Behaviors of Diphenyldibenzofulvene Derivatives","Journal of Physical Chemistry C","2007","111","5","2287","","10.1021/jp0630828","","","0.71073","MoKα","","0.0449","0.0404","","","0.1024","0.1067","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505121","13.7448","0.0018","17.259","0.002","21.561","0.003","90","","107.278","0.002","90","","4883.9","1.1","187","2","187","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H23 Al Cl4 N2 O3 -","- C22 H23 Al Cl4 N2 O3 -","- C176 H184 Al8 Cl32 N16 O24 -","8","2","","Du, Hongzhi; Pang, Xuan; Yu, Haiyang; Zhuang, Xiuli; Chen, Xuesi; Cui, Dongmei; Wang, Xianhong; Jing, Xiabin","Polymerization ofrac-Lactide Using Schiff Base Aluminum Catalysts: Structure, Activity, and Stereoselectivity","Macromolecules","2007","40","6","1904","","10.1021/ma062194u","","","0.71073","MoKα","","0.0846","0.0709","","","0.1676","0.1816","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505198","18.503","0.003","7.5019","0.001","21.971","0.003","90","","92.181","0.004","90","","3047.5","0.8","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","2","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.0635","0.0528","","","0.1179","0.1281","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505293","28.966","0.003","6.2068","0.0006","7.5794","0.0007","90","","102.961","0.002","90","","1328","0.2","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H13 Cl -","- C18 H13 Cl -","- C72 H52 Cl4 -","4","1","","Su, Weike; Jin, Can","First catalytic and green synthesis of aryl-(Z)-vinyl chlorides and its plausible addition-elimination mechanism.","Organic letters","2007","9","6","993","996","10.1021/ol062991c","","","0.71073","MoKα","","0.0362","0.0356","","","0.0897","0.0901","","","","","","1.162","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505597","15.5984","0.0003","13.5175","0.0003","6.6823","0.0001","90","","91.9718","0.0014","90","","1408.14","0.05","200","","200","","","","","","","","local","5","C 1 c 1","C -2yc","9","","","","- C15 H17 Cl2 N O -","- C15 H17 Cl2 N O -","- C60 H68 Cl8 N4 O4 -","4","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0209","0.0197","","0.0241","0.023","0.023","","","","","","1.0814","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505635","8.479","0.019","22.03","0.05","8.403","0.019","90","","116.06","0.04","90","","1410","6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W.","Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions.","Organic letters","2007","9","24","5119","5122","10.1021/ol7023373","","","0.71073","MoKα","","0.1028","0.0924","","","0.225","0.2365","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505640","10.4452","0.0009","26.656","0.002","26.723","0.002","90","","95.279","0.001","90","","7408.9","1","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44.5 H40.5 Cl1.5 P2 -","- C44.5 H40.5 Cl1.5 P2 -","- C356 H324 Cl12 P16 -","8","2","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Rhodium-catalyzed double [2 + 2 + 2] cycloaddition of 1,4-bis(diphenylphosphinoyl)buta-1,3-diyne with tethered diynes: a modular, highly versatile single-pot synthesis of NU-BIPHEP biaryl diphosphines.","Organic letters","2007","9","23","4925","4928","10.1021/ol702390p","","","0.71073","MoKα","","0.0424","0.0357","","","0.0897","0.0943","","","","","","1.025","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505652","6.2538","0.0009","29.083","0.003","9.86","0.001","90","","107.277","0.006","90","","1712.4","0.4","193.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H18 F3 N O3 S2 -","- C14 H18 F3 N O3 S2 -","- C56 H72 F12 N4 O12 S8 -","4","1","","Murai, Toshiaki; Fukushima, Kozue; Mutoh, Yuichiro","Synthesis and properties of 1-methylthiopropargylammonium salts and their use as key precursors to sulfur-containing enediynes.","Organic letters","2007","9","25","5295","5298","10.1021/ol7024923","","","0.7107","MoKα","","","0.0345","","","","0.0869","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506146","20.8896","0.0007","8.0132","0.0004","11.049","0.0004","90","","111.737","0.003","90","","1718.01","0.13","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","1","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","x-ray","0.71073","MoKα","","0.053","0.0483","","","0.1182","0.1234","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506151","18.465","0.006","9.25","0.003","12.676","0.004","90","","110.308","0.006","90","","2030.5","1.1","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A.","Organic letters","2006","8","17","3833","3836","10.1021/ol061463y","","","0.71073","MoKα","","0.0466","0.0414","","","0.0966","0.0994","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506217","7.8618","0.0003","23.0451","0.0007","15.497","0.0005","90","","103.565","0.002","90","","2729.36","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 Fe I -","- C16 H13 Fe I -","- C128 H104 Fe8 I8 -","8","2","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","1.54178","CuKα","","0.0379","0.0377","","","0.0962","0.0964","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506260","19.514","0.002","16.3891","0.0019","27.727","0.003","90","","101.243","0.002","90","","8697.4","1.6","203","2","203","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C88 H118 N4 O24 -","- C88 H118 N4 O24 -","- C352 H472 N16 O96 -","4","1","","Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing","Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.","Organic letters","2006","8","22","5117","5120","10.1021/ol062103d","","","0.71073","MoKα","","0.0832","0.0761","","","0.2031","0.2085","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506345","17.681","0.004","11.082","0.002","16.738","0.003","90","","102.46","0.03","90","","3202.4","1.2","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-[Dichlorotetraindazoleruthenium(III)]chloride methanol disolvate","","- C30 H32 Cl3 N8 O2 Ru -","- C30 H32 Cl3 N8 O2 Ru -","- C120 H128 Cl12 N32 O8 Ru4 -","4","1","","Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K.","Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential.","Journal of medicinal chemistry","2005","48","8","2831","2837","10.1021/jm0490742","","","0.71073","MoKα","","0.0596","0.0424","","","0.0879","0.0947","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506389","12.8203","0.0001","12.18269","0.00009","26.99238","0.00021","90","","91.843","0.0006","90","","4213.64","0.06","","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","dehydrated AlPO4-SOD","","- C3 H7 Al3 N O13 P3 -","- C3 H7 Al3 N O13 P3 -","- C36 H84 Al36 N12 O156 P36 -","12","3","","Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel","Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process.","The journal of physical chemistry. B","2005","109","24","11893","11899","10.1021/jp050763e","powder diffraction","x-ray","0.79965","white-beam","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506774","10.685","0.003","24.806","0.006","8.872","0.002","90","","108.68","0.03","90","","2227.7","1","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","C 1 c 1","C -2yc","9","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","","Sales, Marcelo; Charette, André B","A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines.","Organic letters","2005","7","26","5773","5776","10.1021/ol052436v","","","1.54178","CuKα","","0.0518","0.0418","","","0.0891","0.0921","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506903","16.9447","0.0014","10.3611","0.0014","12.0903","0.0015","90","","119.267","0.009","90","","1851.7","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0284","0.0266","","","0.0679","0.0692","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507013","7.8878","0.0011","26.234","0.004","8.5049","0.0012","90","","98.916","0.003","90","","1738.6","0.4","190","2","190","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0422","0.0411","","","0.0999","0.1008","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507102","22.1999","0.0019","5.9517","0.0006","16.3776","0.0019","90","","93.251","0.005","90","","2160.4","0.4","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C96 H160 O16 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.0863","0.0641","","","0.1539","0.1683","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507250","11.7495","0.0016","15.552","0.003","8.5599","0.0011","90","","104.998","0.006","90","","1510.9","0.4","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","","Bode, Jeffrey W.; Hachisu, Yoshifumi; Matsuura, Tomoo; Suzuki, Keisuke","Facile construction and divergent transformation of polycyclic isoxazoles: direct access to polyketide architectures.","Organic letters","2003","5","4","391","394","10.1021/ol027283f","","","1.5418","CuKα","","0.0461","0.0451","","","0.1132","0.1145","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507289","12.2918","0.0014","14.5009","0.0017","12.6441","0.0015","90","","96.671","0.002","90","","2238.5","0.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Ma, Shengming; Yu, Zhanqian","Efficient synthesis of bibutenolide derivatives through oxidative dimeric cyclization-coupling reaction of 2,3-allenoic acids.","Organic letters","2003","5","9","1507","1510","10.1021/ol0342812","","","0.71073","MoKα","","0.0924","0.0658","","","0.1761","0.2129","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507300","21.192","0.003","10.971","0.003","10.128","0.003","90","","112.54","0.02","90","","2174.9","1","298.2","","298.2","","","","","","","","","5","C 1 c 1","C -2yc","9","","ethyl 1-benzyl-3-methyl-4-[(4-methylphenyl)sulfonyl]-5-oxo-2-pyrrolidinecarboxylate","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C88 H100 N4 O20 S4 -","4","1","","Sun, Pei-Pei; Chang, Meng-Yang; Chiang, Michael Y.; Chang, Nein-Chen","A facile route to polysubstitutedN-benzyl pyroglutamates.","Organic letters","2003","5","10","1761","1763","10.1021/ol0344164","","","0.7107","MoKα","","0.0573","0.0383","","0.0517","","0.0487","","","1.588","","","1.723","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507363","20.531","0.004","11.646","0.002","9.616","0.002","90","","101.88","0.03","90","","2250","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H26 N4 O5 S -","- C21 H26 N4 O5 S -","- C84 H104 N16 O20 S4 -","4","1","","He, Yong; Chen, Yingzhong; Wu, Haiyan; Lovely, Carl J.","Intramolecular Diels-Alder reactions of 4-vinylimidazoles.","Organic letters","2003","5","20","3623","3626","10.1021/ol0352862","","","0.71073","MoKα","","0.0544","0.0446","","0.1161","0.1109","","","","1.001","1.067","1.067","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507586","10.5664","0.0003","14.0387","0.0003","11.8735","0.0003","90","","91.954","0.001","90","","1760.27","0.08","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H17 Br2 N O5 -","- C16 H17 Br2 N O5 -","- C64 H68 Br8 N4 O20 -","4","1","","Hernández-Torres, Gloria; Tan, Bin; Barbas, 3rd, Carlos F","Organocatalysis as a safe practical method for the stereospecific dibromination of unsaturated compounds.","Organic letters","2012","14","7","1858","1861","10.1021/ol300456x","","","1.54184","CuKα","","0.0282","0.0281","","","0.0668","0.0669","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507677","11.7513","0.0015","29.638","0.004","15.2776","0.0019","90","","111.368","0.001","90","","4955.2","1.1","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H58 B F4 N3 O10 -","- C52 H58 B F4 N3 O10 -","- C208 H232 B4 F16 N12 O40 -","4","1","","Noujeim, Nadim; Zhu, Kelong; Vukotic, V. Nicholas; Loeb, Stephen J.","[2]Pseudorotaxanes from T-shaped benzimidazolium axles and [24]crown-8 wheels.","Organic letters","2012","14","10","2484","2487","10.1021/ol300761q","","","0.71073","MoKα","","0.0482","0.043","","","0.1119","0.1162","","","","","","0.984","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507753","13.2027","0.0003","17.3219","0.0004","7.9128","0.0002","90","","105.257","0.0015","90","","1745.85","0.07","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Synthesis of 1,2-Disubstituted Cyclopentenes by Palladium-Catalyzed Reaction of Homopropargyl-Substituted Dicarbonyl Compounds with Organic Halides via 5-Endo-Dig Cyclization.","Organic letters","2012","14","11","2914","2917","10.1021/ol301257m","","","1.54187","CuKα","","0.0563","0.0462","","","0.1068","0.1154","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507929","14.755","0.003","14.831","0.003","7.1877","0.0016","90","","95.469","0.004","90","","1565.7","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-(p-hydroxyphenyl)-7-thiomethyl-1-oxaazulan-2-one","","- C33 H26 Cl2 O6 S2 -","- C33 H26 Cl2 O6 S2 -","- C66 H52 Cl4 O12 S4 -","2","0.5","","Seyedsayamdost, Mohammad R.; Case, Rebecca J.; Kolter, Roberto; Clardy, Jon","The Jekyll-and-Hyde chemistry of Phaeobacter gallaeciensis.","Nature chemistry","2011","3","4","331","335","10.1038/nchem.1002","","","0.71073","MoKα","","0.1123","0.0781","","","0.1911","0.2151","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508100","28.643","0.005","14.21","0.005","24.502","0.005","90","","99.38","0.005","90","","9839","4","160","2","160","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H64 F24 N4 P4 S24 -","- C84 H64 F24 N4 P4 S24 -","- C336 H256 F96 N16 P16 S96 -","4","1","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","0.71069","MoKα","","0.1467","0.0785","","","0.1988","0.2861","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508149","14.0928","0.0003","24.2786","0.0003","22.7601","0.0004","90","","90.769","0.001","90","","7786.7","0.2","100","","100","","","","","","","","A. Pecharman, reaction afp206","6","C 1 c 1","C -2yc","9","","","","- C87 H86 Li2 N17 O2 U -","- C87 H86 Li2 N17 O2 U -","- C348 H344 Li8 N68 O8 U4 -","4","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.","Uranyl oxo activation and functionalization by metal cation coordination.","Nature chemistry","2010","2","12","1056","1061","10.1038/nchem.904","","","1.54184","CuKα","","0.0361","0.0327","","","0.0819","0.0836","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508215","14.86","0.0003","14.401","0.0004","10.894","0.0003","90","","122.556","0.001","90","","1964.98","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Diboronates","9-methyl-2,4-diphenylbenzo[j]-8-aza-1,3,5,2,4-trioxadiboraciclo undec-8-ene","","- C22 H21 B2 N O3 -","- C22 H21 B2 N O3 -","- C88 H84 B8 N4 O12 -","4","1","","Riveraa, Jose Maria; Mendeza, Enrique; Colorado-Peraltab, Raul; Rinconc, Susana; Farfanb, Norberto; Santillan, Rosa","Synthesis, characterization and X-ray studies of new six-seven membered rings [4.5.0] heterobicyclic system of monomeric boronates","Inorganica Chimica Acta","2012","390","","26","32","10.1016/j.ica.2012.03.055","","","0.71073","MoKα","","0.0619","0.0415","","","0.1019","0.1157","","","","","","0.992","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1508500","3.6216","0.0006","17.385","0.003","9.0259","0.0013","90","","90.499","0.013","90","","568.26","0.16","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H5 N3 O4 -","- C3 H5 N3 O4 -","- C12 H20 N12 O16 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","1.5418","CuKα","","0.0317","0.0305","","","0.0741","0.0751","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508879","11.021","0.0004","22.8264","0.0007","26.376","0.0007","90","","90.593","0.003","90","","6635","0.4","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H70 F12 N7 O14 P2 -","- C62 H70 F12 N7 O14 P2 -","- C248 H280 F48 N28 O56 P8 -","4","1","","Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe","Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry.","Organic letters","2013","15","3","534","537","10.1021/ol303355z","","","0.71073","MoKα","","0.0486","0.0404","","","0.0946","0.0995","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508881","17.9964","0.001","13.7356","0.0006","32.6891","0.0015","90","","102.548","0.005","90","","7887.5","0.7","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H82 F12 N4 O20 P2 -","- C68 H82 F12 N4 O20 P2 -","- C272 H328 F48 N16 O80 P8 -","4","1","","Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe","Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry.","Organic letters","2013","15","3","534","537","10.1021/ol303355z","","","0.71073","MoKα","","0.111","0.0802","","","0.2294","0.2672","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509349","8.031","","8.014","","6.221","","90","","128.42","","90","","313.693","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Ag Ga S2 -","- Ag Ga S2 -","- Ag4 Ga4 S8 -","4","1","","Ishizawa, N.; Kitahara Eba, H.; Noda, Y.; Marumo, F.","Synchrotron X-ray stuy of the monoclinic high-pressure structure of Ag Ga S2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","61","","3310","3316","10.1103/PhysRevB.61.3310","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509712","6.783","","11.567","","7.693","","90","","114.44","","90","","549.501","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Ag2 Te S3","","- Ag2 S3 Te -","- Ag2 S3 Te -","- Ag8 S12 Te4 -","4","1","","Pertlik, F.","Crystal structure of Ag2 Te S3 and Na (Na1-x Agx) Te S3 (x = 0.5) and the geometry of Te(IV) S3 polyhedra","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1997","128","","157","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509808","12.692","","7.492","","12.644","","90","","109.5","","90","","1133.34","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ag2 In2 Ge Se6","","- Ag2 Ge In2 Se6 -","- Ag2 Ge In2 Se6 -","- Ag8 Ge4 In8 Se24 -","4","1","","Glowyak, T.; Sysa, L.V.; Krykhovets, O.V.; Olekseyuk, I.D.","Crystal structure of Ag2 In2 Ge Se6","Journal of Alloys Compd.","1999","287","","181","184","10.1016/S0925-8388(99)00016-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509870","17.4364","","6.8334","","10.535","","90","","93.589","","90","","1252.78","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ag4 Cd (Ge2 S7)","","- Ag4 Cd Ge2 S7 -","- Ag4 Cd Ge2 S7 -","- Ag16 Cd4 Ge8 S28 -","4","1","","Parasyuk, O.V.; Olekseyuk, I.D.; Gulay, L.D.","Crystal structures of the Ag4 Hg Ge2 S7 and Ag4 Cd Ge2 S7 compounds","Journal of Alloys Compd.","2002","340","","157","166","10.1016/S0925-8388(02)00016-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509873","17.4546","","6.8093","","10.5342","","90","","93.398","","90","","1249.83","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ag4 Hg (Ge2 S7)","","- Ag4 Ge2 Hg S7 -","- Ag4 Ge2 Hg S7 -","- Ag16 Ge8 Hg4 S28 -","4","1","","Olekseyuk, I.D.; Gulay, L.D.; Parasyuk, O.V.","Crystal structures of the Ag4 Hg Ge2 S7 and Ag4 Cd Ge2 S7 compounds","Journal of Alloys Compd.","2002","340","","157","166","10.1016/S0925-8388(02)00016-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510637","6.6465","","15.6995","","6.0306","","90","","110.961","","90","","587.631","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Ba (B2 S4)","","- B2 Ba S4 -","- B2 Ba S4 -","- B8 Ba4 S16 -","4","1","","Wulff, M.; Krebs, B.; Hammerschmidt, A.; Doech, M.","Ba B2 S4 : das erste nicht-oxidische Chalkogenoborat mit trigonal-planar und tetraedrisch koordiniertem Bor","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2637","2640","10.1002/1521-3749(200212)628:12<2637::AID-ZAAC2637>3.0.CO;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510870","15.116","","8.824","","8.179","","90","","117.46","","90","","968.031","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Li Ba B3 S6","","- B3 Ba Li S6 -","- B3 Ba Li S6 -","- B12 Ba4 Li4 S24 -","4","1","","Krebs, B.; Hiltmann, F.","Li Ba B S3 und Li Ba B3 S6: zwei neue quaternaere thioborate mit trigonal-planar koordiniertem Bor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","424","430","10.1002/zaac.19956210315","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510927","14.933","","8.703","","7.866","","90","","116.76","","90","","912.794","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Li Sr (B3 S6)","","- B3 Li S6 Sr -","- B3 Li S6 Sr -","- B12 Li4 S24 Sr4 -","4","1","","Diercks, H.; Puettmann, C.; Krebs, B.","Synthesis, crystal structures and properties of M3 B3 S6 (M= Na, K, Rb) and Li Sr B3 S6","Phosphorus, Sulfur, Silicon and Related Elements","1992","65","","1","4","10.1080/10426509208055305","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511522","4.972","","8.613","","19.513","","90","","90.02","","90","","835.621","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Na2 Zn2 Mn B4.68 O11","","- B4.68 Mn Na2 O11 Zn2 -","- B4.68 Mn Na2 O11 Zn2 -","- B18.72 Mn4 Na8 O44 Zn8 -","4","1","","Malinovskii, Yu.A.; Bondareva, O.S.; Belov, N.V.","The crystal structure of Na2 Zn2 Mn B4.67 O11","Kristallografiya","1980","25","","944","949","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511755","7.74","","9.864","","12.066","","90","","105.48","","90","","887.789","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","La Sc3 (B O3)4","","- B4 La O12 Sc3 -","- B4 La O12 Sc3 -","- B16 La4 O48 Sc12 -","4","1","","Wang, G.-F.; Lu, S.-F.; Chen, W.-Z.; Wu, Q.-J.; He, M.-Y.; Lin, Z.-B.","Structure of low temperature phase gamma-(La Sc3 (B O3)4) crystal","Materials Research Innovation","1999","2","","341","344","10.1007/s100190050111","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511907","8.334","0.002","17.631","0.004","13.162","0.003","90","","98.01","0.004","90","","1915.1","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","rac (2S,3R)-methyl 3-(N-allyl-4-methylphenylsulfonamido) -2-bromo-3-ethoxypropanoate","","- C16 H22 Br N O5 S -","- C16 H22 Br N O5 S -","- C64 H88 Br4 N4 O20 S4 -","4","1","","Nocquet-Thibault, Sophie; Retailleau, Pascal; Cariou, Kevin; Dodd, Robert H.","Iodine(III)-Mediated Umpolung of Bromide Salts for the Ethoxybromination of Enamides.","Organic letters","2013","15","8","1842","1845","10.1021/ol400453b","","","0.7107","MoKα","","0.0996","0.0855","","","0.2191","0.2372","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512083","11.9986","0.0013","23.347","0.003","19.104","0.002","90","","92.8783","0.0016","90","","5344.9","1.1","93","","93","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C48 H60 F12 N4 O4 Pd Sb2 -","- C48 H60 F12 N4 O4 Pd Sb2 -","- C192 H240 F48 N16 O16 Pd4 Sb8 -","4","1","","Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu","Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.","Organic letters","2013","15","11","2716","2719","10.1021/ol4010189","","","0.71075","MoKα","","","0.0234","","","","0.0571","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512138","20.5937","0.0017","18.9018","0.0017","22.083","0.002","90","","103.108","0.006","90","","8372","1.3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H18 Br4 F12 N6 P2 Ru -","- C30 H18 Br4 F12 N6 P2 Ru -","- C240 H144 Br32 F96 N48 P16 Ru8 -","8","2","","Vallett, Paul J.; Damrauer, Niels H.","Experimental and computational exploration of ground and excited state properties of highly strained ruthenium terpyridine complexes.","The journal of physical chemistry. A","2013","117","30","6489","6507","10.1021/jp404248z","","","0.71073","MoKα","","0.0909","0.0632","","","0.1634","0.1759","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512203","12.798","0.003","14.387","0.003","7.154","0.007","90","","98.78","0.05","90","","1301.8","1.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Methyl-1-ethyl-7-fluoro-8-iodo-4-oxa-1,4-dihydroquinoline-3-carboxylate","","- C13 H11 F I N O3 -","- C13 H11 F I N O3 -","- C52 H44 F4 I4 N4 O12 -","4","1","","Pretali, Luca; Dondi, Daniele; D'Angelantonio, Mila; Manet, Ilse; Fasani, Elisa; Monti, Sandra; Bovio, Bruna; Albini, Angelo","A Fluorine 1,2-Migration via Aryl Cation/Radical/Radical Anion/Radical Sequence.","Organic letters","2013","15","15","3926","3929","10.1021/ol401670p","","","0.710738","MoKα","","","","","","","","","","","","","0.847","","","","has coordinates","288073","2023-12-06","14:02:31",""
"1512370","31.489","0.002","7.4022","0.0005","6.4814","0.0005","90","","100.894","0.005","90","","1483.51","0.18","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Race, Nicholas J.; Bower, John F.","Palladium catalyzed cyclizations of oxime esters with 1,2-disubstituted alkenes: synthesis of dihydropyrroles.","Organic letters","2013","15","17","4616","4619","10.1021/ol4023112","","","0.71073","MoKα","","0.0411","0.0336","","","0.0817","0.0852","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512884","16.6781","0.0005","12.3373","0.0004","14.9107","0.0005","90","","114.104","0.001","90","","2800.55","0.16","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chloro-diethylamine-(N,N-diethylcarbamoyl)-triphenylphosphine-platinum(ii)","","- C27 H36 Cl N2 O P Pt -","- C27 H36 Cl N2 O P Pt -","- C108 H144 Cl4 N8 O4 P4 Pt4 -","4","1","","Daniela Belli Dell Amico; Claudio Broglia; Luca Labella; Fabio Marchetti; Daniele Mendola; Simona Samaritani","Platinum(II) complexes containing unsaturated ligands. Nucleophilic substitution versus nucleophilic attack to ligand: a stereochemistry driven outcome","Inorganica Chimica Acta","2013","395","","181","188","10.1016/j.ica.2012.10.038","","","0.71073","MoKα","","0.0229","0.0189","","","0.0379","0.039","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512889","11.5134","0.0002","17.7255","0.0003","23.1828","0.0003","90","","96.341","0.001","90","","4702.22","0.13","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C42 H38 Cl6 Co F6 N4 O4 P -","- C42 H38 Cl6 Co F6 N4 O4 P -","- C168 H152 Cl24 Co4 F24 N16 O16 P4 -","4","1","","Hasti Iranmanesh; Mahdi Behzad; Giuseppe Bruno; Hadi Amiri Rudbari; Hossein Nazari; Abolfazl Mohammadi; Omid Taheri","Cobalt(III) Schiff base complexes derived from mesostilbenediamine: Synthesis, characterization, crystal structure, electrochemistry and antibacterial studies","Inorganica Chimica Acta","2013","395","","81","88","10.1016/j.ica.2012.10.030","","","0.71073","MoKα","","0.039","0.0368","","","0.1019","0.1039","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513001","9.6063","0.0014","44.885","0.006","11.7452","0.0017","90","","105.927","0.002","90","","4869.9","1.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H40 Cl8 Ni4 O16 -","- C36 H40 Cl8 Ni4 O16 -","- C144 H160 Cl32 Ni16 O64 -","4","1","","Shu-Hua Zhang; Yi Dong Zhang; Hua Hong Zou; Jing Jing Guo; He Ping Li; You Song; Hong Liang","A family of cubane cobalt and nickel clusters: Syntheses, structures and magnetic properties","Inorganica Chimica Acta","2013","396","","119","125","10.1016/j.ica.2012.10.032","","","0.71073","MoKα","","0.058","0.0474","","","0.1184","0.1244","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513011","10.5834","0.001","15.1756","0.001","16.0379","0.0012","90","","102.386","0.002","90","","2515.9","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H23 Cl N O3 V -","- C31 H23 Cl N O3 V -","- C124 H92 Cl4 N4 O12 V4 -","4","1","","Dmitry A. Kurmaev; Nicolai A. Kolosov; Svetlana Ch. Gagieva; Alexandra O. Borissova; Vladislav A. Tuskaev; Natalya M. Bravaya; Boris M. Bulychev","Coordination compounds of chromium (+3) and vanadium (+3) and (+5) with 2,6-bis(diphenylhydroxymethyl)pyridyl ligand: Synthesis and study of catalytic activity in the polymerization of ethylene","Inorganica Chimica Acta","2013","396","","136","143","10.1016/j.ica.2012.11.006","","","0.71073","MoKα","","0.086","0.0576","","","0.1405","0.1546","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513081","12.138","0.0011","30.924","0.003","15.3413","0.0018","90","","107.119","0.004","90","","5503.3","1","223","","223","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H26 Cl Na O10 -","- C12 H26 Cl Na O10 -","- C144 H312 Cl12 Na12 O120 -","12","3","","Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Phase diagrams and solvate structures of binary mixtures of glymes and na salts.","The journal of physical chemistry. B","2013","117","48","15072","15085","10.1021/jp407582m","","","0.71075","MoKα","","","0.058","","","","0.1569","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513214","15.5479","0.0011","10.6631","0.0008","14.845","0.0011","90","","101.674","0.001","90","","2410.2","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H26 B10 Cu2 N4 -","- C20 H26 B10 Cu2 N4 -","- C80 H104 B40 Cu8 N16 -","4","1","","Vologzhanina, Anna V.; Korlyukov, Alexander A.; Avdeeva, Varvara V.; Polyakova, Irina N.; Malinina, Elena A.; Kuznetsov, Nikolai T.","Theoretical QTAIM, ELI-D, and Hirshfeld Surface Analysis of the Cu-(H)B Interaction in [Cu2(bipy)2B10H10].","The journal of physical chemistry. A","2013","117","49","13138","13150","10.1021/jp405270u","","","0.71073","MoKα","","0.0561","0.0506","","","0.1115","0.1127","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513260","32.99","0.003","14.4951","0.0011","8.8108","0.0012","90","","99.065","0.005","90","","4160.6","0.8","213","2","213","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H30 O2 -","- C24 H30 O2 -","- C192 H240 O16 -","8","2","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","1.5418","CuKα","","0.0524","0.0517","","","0.1435","0.1469","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513405","19.461","0.003","8.7866","0.0012","11.3296","0.0016","90","","106.997","0.002","90","","1852.7","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C5 H3 N11 O2 -","- C5 H3 N11 O2 -","- C40 H24 N88 O16 -","8","2","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0697","0.0522","","","0.1041","0.1101","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513410","7.507","0.003","27.831","0.005","7.592","0.003","90","","97.477","0.005","90","","1572.7","0.9","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","8-methyl-5-phenyl-5H-dibenzo[c,e]azepine","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Narbonne, Vanessa; Retailleau, Pascal; Maestri, Giovanni; Malacria, Max","Diastereoselective Synthesis of Dibenzoazepines through Chelation on Palladium(IV) Intermediates.","Organic letters","2014","16","2","628","631","10.1021/ol403525c","","","0.7107","MoKα","","0.0712","0.0661","","","0.1684","0.1759","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513616","25.779","0.003","25.754","0.003","16.135","0.002","90","","94.132","0.011","90","","10684","2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H180 K4 Mg4 N8 -","- C88 H180 K4 Mg4 N8 -","- C352 H720 K16 Mg16 N32 -","4","1","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.5418","CuKα","","0.1576","0.1495","","","0.3941","0.4047","","","","","","1.718","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513646","10.0183","0.0007","27.574","0.002","9.4686","0.0006","90","","95.291","0.001","90","","2604.5","0.3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H22 Cl Cu N4 O10 Re -","- C21 H20 Cl Cu N4 O10 Re -","- C84 H80 Cl4 Cu4 N16 O40 Re4 -","4","1","","Easun, Timothy L.; Jia, Junhua; Reade, Thomas J.; Sun, Xue-Zhong; Davies, E. Stephen; Blake, Alexander J.; George, Michael W.; Champness, Neil R.","Modification of coordination networks through a photoinduced charge transfer process","Chemical Science","2014","5","2","539","","10.1039/c3sc52745j","","","0.6942","synchrotron","","0.0348","0.0292","","","0.0599","0.062","","","","","","0.91","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513844","10.2682","0.0006","42.469","0.003","24.23","0.0012","90","","92.756","0.002","90","","10554","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","arsenyl[bis((1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)phosphine)]","","","- C54 H72 As N4 P2 -","- C54 H72 As N4 P2 -","- C432 H576 As8 N32 P16 -","8","2","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0852","0.0456","","","0.0842","0.1004","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514176","4.3655","0.0006","49.452","0.005","8.9782","0.0011","90","","91.731","0.013","90","","1937.4","0.4","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 O10 -","- C21 H22 O10 -","- C84 H88 O40 -","4","1","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","1.5418","CuKα","","0.0821","0.0699","","","0.1724","0.1867","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514339","23.38","0.003","6.969","0.0007","19.937","0.003","90","","110.851","0.015","90","","3035.7","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C2.11 H2.39 N0.42 O0.7 -","- C2.10526 H2.38596 N0.421053 O0.701754 -","- C120 H136 N24 O40 -","57","14.25","","Subhasri, Annamalai; Anbuselvan, Chinnadurai","Facile, cost effective synthesis and DFT-based studies of substituted aryl hydrazones of β-diketones: a new selective fluorescent chemosensor for Co2+","Analytical Methods","2014","6","15","5596","","10.1039/C4AY00653D","","","0.71073","MoKα","","0.0538","0.0387","","","0.0803","0.0906","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514413","18.8666","0.0004","22.2888","0.0005","25.4992","0.0006","90","","100.652","0.002","90","","10538","0.4","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H70 Li2 N2 P2 Si4 -","- C50 H70 Li2 N2 P2 Si4 -","- C400 H560 Li16 N16 P16 Si32 -","8","2","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0773","0.0596","","","0.1549","0.1685","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514479","17.791","","16.341","","27.415","","90","","97.47","","90","","7902.52","","373","2","373","2","","","","","","","","8","C 1 c 1","C -2yc","9","AEK1145Co","","","- C144 H130 B4 Co4 F40 N30 O24 S8 -","- C144 H130 B4 Co4 F40 N30 O24 S8 -","- C288 H260 B8 Co8 F80 N60 O48 S16 -","2","0.5","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0761","0.0692","","","0.188","0.1975","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514786","9.223","0.0004","23.7522","0.0008","15.2139","0.0006","90","","107.35","0.001","90","","3181.2","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H29 F12 N7 Ni P2 -","- C23 H29 F12 N7 Ni P2 -","- C92 H116 F48 N28 Ni4 P8 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0303","0.0282","","","0.0781","0.0796","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514817","20.7703","0.0018","20.6316","0.0019","23.952","0.002","90","","102.233","0.002","90","","10031","1.5","133","2","133","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C576 H384 O64 -","32","8","","Cheng, Ming; Yan, Jianwei; Hu, Feng; Chen, Hong; Hu, Youhong","Palladium-catalyzed cascade reactions of 3-iodochromones with aryl iodides and norbornadiene leading to annulated xanthones","Chemical Science","2013","4","1","526","","10.1039/c2sc21335d","","","0.71073","MoKα","","0.1423","0.0615","","","0.1264","0.1627","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514881","14.8047","0.0019","24.843","0.003","5.0851","0.0007","90","","101.707","0.006","90","","1831.4","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C80 H112 O16 -","8","2","","Unold, Jörg; Wang, Dongren; Frey, Wolfgang; Buchmeiser, Michael R.","Stereo- and regioselective cyclopolymerization of chiral 1,7-octadiynes","Polymer Chemistry","2013","4","15","4219","","10.1039/c3py00567d","","","0.71073","MoKα","","0.0707","0.0416","","","0.112","0.1171","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514951","13.4798","0.0019","24.491","0.003","11.104","0.0012","90","","122.469","0.003","90","","3092.8","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H42 F6 N O6 P -","- C28 H42 F6 N O6 P -","- C112 H168 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0594","0.0503","","","0.1038","0.1096","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515026","18.171","0.005","28.753","0.008","13.422","0.007","90","","130.397","0.002","90","","5341","3","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","2-DMAP3","","","- C57 H60 F6 Hg N6 O P Sb -","- C57 H60 F6 Hg N6 O P Sb -","- C228 H240 F24 Hg4 N24 O4 P4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0286","0.0267","","","0.0611","0.0621","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515073","15.778","0.003","16.681","0.003","8.324","0.0017","90","","95.55","0.03","90","","2180.5","0.7","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H25 N3 O7 -","- C22 H25 N3 O7 -","- C88 H100 N12 O28 -","4","1","","Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An","Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions","Chemical Science","2012","3","10","3053","","10.1039/c2sc20805a","","","0.71073","MoKα","","0.0638","0.0469","","","0.1033","0.1147","","","","","","0.849","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515153","8.1262","0.0011","15.991","0.002","13.825","0.002","90","","101.243","0.005","90","","1762","0.4","200","","200","","","","","","","","local","4","C 1 c 1","C -2yc","9","","","","- C20 H10 Br2 O5 -","- C20 H10 Br2 O5 -","- C80 H40 Br8 O20 -","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","","0.089","0.0576","","0.1237","0.1094","0.1237","","","","","","1.0073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515283","12.1653","0.0016","6.7288","0.0008","10.3724","0.0011","90","","104.751","0.005","90","","821.08","0.17","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B H8 Li N2 -","- B H8 Li N2 -","- B8 H64 Li8 N16 -","8","2","","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","1.5406","CuKα","","","","","","","","0.10167","","1.74","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515509","17.5254","0.0002","12.7345","0.0001","30.6082","0.0004","90","","90.6673","0.0006","90","","6830.59","0.13","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H64 F24 N10 O4 P4 -","- C66 H64 F24 N10 O4 P4 -","- C264 H256 F96 N40 O16 P16 -","4","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0833","0.0502","","0.1591","0.119","0.1591","","","","","","0.8531","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515571","11.3993","0.0012","20.292","0.002","6.8679","0.0007","90","","116.348","0.002","90","","1423.6","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 Br2 N2 -","- C16 H12 Br2 N2 -","- C64 H48 Br8 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0304","0.026","","","0.0517","0.053","","","","","","0.881","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515732","16.034","0.002","8.5909","0.0007","15.611","0.002","90","","119.895","0.006","90","","1864.2","0.4","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H24 O -","- C24 H24 O -","- C96 H96 O4 -","4","1","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.0365","0.0321","","","0.0752","0.0764","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515735","7.3178","0.0014","14.158","0.003","17.191","0.003","90","","96.227","0.002","90","","1770.6","0.6","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C84 H80 N8 O4 -","4","1","","Shiraki, Saori; Natarajan, Arunkumar; Garcia-Garibay, Miguel A","The synthesis and stereospecific solid-state photodecarbonylation of hexasubstituted meso- and d,l-ketones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1480","1487","10.1039/c1pp05080j","","","0.71073","MoKα","","0.0482","0.0394","","","0.0951","0.1013","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515736","8.7219","0.0013","14.862","0.002","12.6513","0.0018","90","","99.836","0.002","90","","1615.8","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H25 N O -","- C17 H25 N O -","- C68 H100 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","0.71073","MoKα","","0.0497","0.0416","","","0.1134","0.1215","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515747","11.276","0.002","26.738","0.005","9.1772","0.0018","90","","94.07","0.03","90","","2759.9","0.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 N5 Ni O14 Sm -","- C21 H24 N5 Ni O14 Sm -","- C84 H96 N20 Ni4 O56 Sm4 -","4","1","","Xiao, Guoqi; Yan, Bing; Ma, Rui; Jin, Wen Juan; Lü, Xing Qiang; Ding, Li Qin; Zeng, Chu; Chen, Lei Lei; Bao, Feng","Bulk ring-opening polymerization (ROP) of L-lactide catalyzed by Ni(ii) and Ni(ii)-Sm(iii) complexes based on a salen-type schiff-base ligand","Polymer Chemistry","2011","2","3","659","","10.1039/c0py00385a","","","0.71073","MoKα","","0.1144","0.052","","","0.1147","0.1491","","","","","","0.827","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515859","35.6175","0.001","9.396","0.0003","14.925","0.0004","90","","92.4734","0.0018","90","","4990.2","0.3","160","1","160","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C66 H50 O4 -","- C66 H50 O4 -","- C264 H200 O16 -","4","1","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0807","0.0724","","","0.1797","0.189","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515866","18.534","0.004","19.636","0.004","19.425","0.004","90","","97.62","0.03","90","","7007","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C73 H86 N2 O18 U -","- C73 H78 N2 O18 U -","- C292 H312 N8 O72 U4 -","4","1","","Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius","Encapsulation of the uranyl dication","Chemical Science","2010","1","1","43","","10.1039/c0sc00116c","","","0.71073","MoKα","","0.0838","0.0549","","","0.1264","0.1428","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516097","10.4253","0.0003","12.8651","0.0004","8.1381","0.0003","90","","109.962","0.002","90","","1025.92","0.06","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Barradas, Silvia; Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen","Total synthesis of natural p-quinol cochinchinenone.","Organic letters","2012","14","23","5952","5955","10.1021/ol302858r","","","1.54178","","","0.0257","0.0255","","","0.068","0.0682","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516451","26.914","0.006","9.765","0.002","16.289","0.004","90","","109.311","0.003","90","","4040.1","1.6","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H58 N2 O2 Si2 -","- C42 H58 N2 O2 Si2 -","- C168 H232 N8 O8 Si8 -","4","1","","Salata, Michael R.; Marks, Tobin J.","Catalyst Nuclearity Effects in Olefin Polymerization. Enhanced Activity and Comonomer Enchainment in Ethylene + Olefin Copolymerizations Mediated by Bimetallic Group 4 Phenoxyiminato Catalysts","Macromolecules","2009","42","6","1920","","10.1021/ma8020745","","","0.71073","MoKα","","0.0533","0.0462","","","0.1123","0.1191","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516779","14.341","0.004","11.316","0.003","17.625","0.005","90","","114.01","","90","","2612.8","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C120 H112 O16 S8 -","8","2","","Liu, Feng-Lei; Chen, Jia-Rong; Zou, You-Quan; Wei, Qiang; Xiao, Wen-Jing","Three-Component Coupling Reaction Triggered by Insertion of Arynes into the S═O Bond of DMSO.","Organic letters","2014","16","14","3768","","10.1021/ol501638x","","","0.71073","MoKα","","0.0807","0.0456","","","0.1204","0.1652","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517029","16.6022","0.0004","12.4707","0.0004","16.0966","0.0004","90","","113.6","0.002","90","","3053.92","0.15","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","(PNP)NiCOnPr","","","- C30 H47 N Ni O P2 -","- C30 H47 N Ni O P2 -","- C120 H188 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0934","0.0503","","","0.1116","0.1452","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517168","9.0504","0.0017","10.731","0.002","11.634","0.004","90","","92.431","0.015","90","","1128.9","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 Cl3 Fe Ga O5 -","- C5 Cl3 Fe Ga O5 -","- C20 Cl12 Fe4 Ga4 O20 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0137","0.0131","","","0.0273","0.0275","","","","","","0.938","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517181","9.5929","0.0008","13.2942","0.0011","18.7485","0.0014","90","","92.399","0.004","90","","2388.9","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H30 N8 O6 -","- C24 H30 N8 O6 -","- C96 H120 N32 O24 -","4","1","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Macrocyclic Influences in CO2 Uptake and Stabilization.","Organic letters","2014","16","15","3982","3985","10.1021/ol501812u","","","1.54178","CuKα","","0.0311","0.0275","","","0.0653","0.0667","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517190","44.0087","0.0006","20.5888","0.0003","26.8381","0.0003","90","","119.998","0.001","90","","21060.1","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C145 H234 N48 Ni16 O96 S8 -","- C145 H136 N48 Ni16 O96 S8 -","- C580 H544 N192 Ni64 O384 S32 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.054","0.0506","","","0.1358","0.1405","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517249","10.478","0.004","15.304","0.006","9.535","0.003","90","","104.6","0.02","90","","1479.6","0.9","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Kasare, Sanghratna; Bankar, Siddheshwar K.; Ramasastry, S. S. V.","Expeditious Metal-Free Access to Functionalized Polycyclic Acetals under Mild Aqueous Conditions.","Organic letters","2014","16","16","4284","4287","10.1021/ol501986f","","","0.71073","MoKα","","0.0326","0.0303","","","0.0956","0.0996","","","","","","0.85","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517446","22.168","0.003","25.23","0.003","20.706","0.002","90","","111.311","0.002","90","","10789","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C110 H160 Dy2 K N8 O13 -","- C110 H160 Dy2 K N8 O13 -","- C440 H640 Dy8 K4 N32 O52 -","4","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.7749","synchrotron","","0.0753","0.0511","","","0.119","0.1351","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517850","10.18","0.01","18.26","0.02","18.59","0.02","90","","93.65","0.09","90","","3449","6","","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H30 Cl3 N O P2 V -","- C36 Cl3 N O P2 V -","- C144 Cl12 N4 O4 P8 V4 -","4","1","","Rubenstahl, Thilo; Dehnicke, Kurt; Krautscheid, Harald","[VCl3(NPPh3)(OPPh3)], ein phosphaniminato-komplex von vanadium(IV)'","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1023","1026","","","x-ray","0.71069","MoKα","","","0.049","","","0.046","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517901","12.5831","0.0017","38.828","0.005","10.3741","0.0014","90","","126.514","0.009","90","","4073.6","1.1","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C216 H168 N8 O16 -","8","2","","Zhang, Xuan; Si, Weili; Bao, Ming; Asao, Naoki; Yamamoto, Yoshinori; Jin, Tienan","Rh(III)-Catalyzed Regioselective Functionalization of C-H Bonds of Naphthylcarbamates for Oxidative Annulation with Alkynes.","Organic letters","2014","16","18","4830","4833","10.1021/ol502317c","","","0.71075","MoKα","","","0.0386","","","","0.0929","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518134","21.221","0.002","9.6494","0.0008","12.1702","0.0011","90","","105.393","0.004","90","","2402.7","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H27 Cl N2 S -","- C28 H27 Cl N2 S -","- C112 H108 Cl4 N8 S4 -","4","1","","Ranjan, Alok; Yerande, Ragini; Wakchaure, Prasad B.; Yerande, Swapnil G.; Dethe, Dattatraya H.","Base-Mediated Hydroamination of Propargylamine: A Regioselective Intramolecular 5-exo-dig Cycloisomerization en Route to Imidazole-2-thione.","Organic letters","2014","16","21","5788","5791","10.1021/ol502871r","","x-ray","0.71073","MoKα","","0.0335","0.0291","","","0.0612","0.0627","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518201","17.835","0.004","9.634","0.002","16.025","0.004","90","","127.25","0.02","90","","2191.8","1","","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H34 Cl2 Li2 O11 -","- C12 Cl2 Li2 O11 -","- C48 Cl8 Li8 O44 -","4","1","","Chang, Tsing-Lien; Zhao, Ming; Hu, Ning-Hai; Jin, Zhong-Sheng","The crystal structure of 18-crown-6 complexes of hydrated lithium chloride and bromide","Revue de Chimie Minerale","1987","24","","382","390","","","x-ray","0.71069","MoKα","","","0.039","","","0.043","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518202","18.121","0.005","9.745","0.002","16.14","0.003","90","","126.74","0.01","90","","2284","0.9","","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H34 Br2 Li2 O11 -","- C12 Br2 Li2 O11 -","- C48 Br8 Li8 O44 -","4","1","","Chang, Tsing-Lien; Zhao, Ming; Hu, Ning-Hai; Jin, Zhong-Sheng","The crystal structure of 18-crown-6 complexes of hydrated lithium chloride and bromide","Revue de Chimie Minerale","1987","24","","382","390","","","x-ray","0.71069","MoKα","","","0.057","","","0.062","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518355","13.6052","0.0006","19.6523","0.0009","14.3113","0.0007","90","","105.559","0.0005","90","","3686.2","0.3","88","2","88","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H44 K N2 O13 Rh -","- C32 H44 K N2 O13 Rh -","- C128 H176 K4 N8 O52 Rh4 -","4","1","","Murphy, Stephen K.; Bruch, Achim; Dong, Vy M.","Mechanistic insights into hydroacylation with non-chelating aldehydes","Chemical Science","2015","6","1","174","180","10.1039/c4sc02026j","","","0.71073","MoKα","","0.0267","0.0258","","","0.065","0.0658","","","","","","1.067","","","","has coordinates,has disorder","274636","2022-04-22","15:52:32",""
"1518450","23.1686","0.0013","9.677","0.0006","16.8001","0.001","90","","118.272","0.0016","90","","3317.3","0.3","200","","200","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 N4 O19 Tm -","- C28 H46 N4 O19 Tm -","- C112 H184 N16 O76 Tm4 -","4","1","","Funk, Alexander M.; Finney, Katie-Louise N. A.; Harvey, Peter; Kenwright, Alan M.; Neil, Emily R.; Rogers, Nicola J.; Kanthi Senanayake, P.; Parker, David","Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes","Chem. Sci.","2015","6","3","1655","","10.1039/C4SC03429E","","x-ray","0.71073","MoKα","","0.0529","0.0463","","","0.1094","0.1175","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518487","17.142","0.003","9.0363","0.0018","12.653","0.003","90","","90.03","0.03","90","","1960","0.7","113","2","113","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C96 H96 O24 -","4","1","","Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen","Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.","Organic letters","2015","17","2","218","221","10.1021/ol503285u","","","0.71073","MoKα","","0.0477","0.0318","","","0.0698","0.0802","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518586","16.1723","0.0013","24.7158","0.0017","24.1251","0.0018","90","","90.474","0.003","90","","9642.7","1.2","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C60.5 H56 N4 O6 -","- C60.5 H56 N4 O6 -","- C484 H448 N32 O48 -","8","2","","Liu, Lei; Carroll, Patrick J.; Kozlowski, Marisa C.","Vanadium-catalyzed regioselective oxidative coupling of 2-hydroxycarbazoles.","Organic letters","2015","17","3","508","511","10.1021/ol503521b","","","0.71073","MoKα","","0.0863","0.0735","","","0.1673","0.1763","","","","","","1.052","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518727","24.05898","0.00014","12.60445","0.00006","17.26646","0.00009","90","","109.899","0.0006","90","","4923.42","0.05","120","1","120","1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H53 F3 N4 O3 P2 S -","- C53 H53 F3 N4 O3 P2 S -","- C212 H212 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","1.54184","CuKα","","0.0425","0.0418","","","0.1113","0.112","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518902","13.3231","0.0008","13.0236","0.0008","11.3086","0.0007","90","","95.911","0.002","90","","1951.8","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H25 O P -","- C23 H25 O P -","- C92 H100 O4 P4 -","4","1","","Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel","P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12376","12387","10.1039/c5dt00458f","","","0.71073","MoKα","","0.0581","0.0401","","","0.0803","0.0871","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519058","4.6707","0.0002","16.9992","0.0006","16.7699","0.0006","90","","98","0.01","90","","1318.54","0.09","","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H5 O6 P2 Sb -","","","2","0.5","","Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham","On the synthesis and characterization of open-framework antimony(III) diphosphonates","Solid State Sciences","2000","2","","119","126","","","x-ray","0.71073","MoKα","","","0.0891","","","","","","","","","","","","","","","191028","2020-10-21","18:00:00",""
"1519244","14.845","0.003","15","0.003","9.045","0.0018","90","","115.04","0.03","90","","1824.8","0.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H24 Br N O -","- C21 H24 Br N O -","- C84 H96 Br4 N4 O4 -","4","1","","Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.","C21H24BrNO","Crystal Structure Report Archive","2000","","","777","","","","","0.71073","MoKα","","0.0613","0.0481","","","0.1076","0.1159","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519312","25.85","0.003","4.6425","0.0007","16.978","0.003","90","","123.95","0.03","90","","1690.2","0.7","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Gelbrich, Thomas; Le Strat, Frederic; Harrowven, David C; Hursthouse, Michael B.","5-(4,4-Diethoxybut-2-yn-1-yl)phenanthridin-6(5H)-one","Crystal Structure Report Archive","2001","","","400","","","","","0.71073","MoKα","","0.1127","0.0532","","","0.0955","0.1122","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519336","7.7318","0.0015","27.917","0.006","16.43","0.003","90","","102.48","0.03","90","","3462.6","1.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C168 H200 N8 O16 -","8","2","","Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.","C21H25NO2","Crystal Structure Report Archive","2001","","","779","","","","","0.71073","MoKα","","0.1774","0.1084","","","0.2424","0.2832","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519342","25.5294","0.0005","18.9718","0.0005","9.713","0.0002","90","","103.111","0.002","90","","4581.75","0.18","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H31 N3 O2 -","- C26 H31 N3 O2 -","- C208 H248 N24 O16 -","8","2","","Coles, Simon J.; Chapman, C. P.; Light, Mark E.; Tizzard, G. J.; Camiolo, S.; Gale, Phil A.; Hursthouse, Michael B.","N,N'-Di-n-butyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide","Crystal Structure Report Archive","2001","","","114","","","","","0.71073","MoKα","","0.0709","0.0567","","","0.1438","0.1555","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519385","21.9221","0.001","15.852","0.0007","14.007","0.0006","90","","121.631","0.0009","90","","4144.4","0.3","173","","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H65 Cl3 Fe Mo N P2 -","- C39 H51 Cl3 Fe Mo N P2 -","- C156 H204 Cl12 Fe4 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.065","","","","0.1225","","","","","","1.038","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519387","18.9384","0.0012","19.521","0.0011","13.7984","0.0008","90","","120.86","0.0011","90","","4379","0.5","198","","198","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H57 Cl5 Fe Mo N P2 -","- C40 H57 Cl5 Fe Mo N P2 -","- C160 H228 Cl20 Fe4 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0503","","","","0.0968","","","","","","1.012","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519450","43.879","0.009","9.5887","0.0019","25.05","0.005","90","","109.94","0.03","90","","9908","4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","Spiro-OMeTABPDOT","4,4',4'',4'''-(2H,2'H,4H,4'H-3,3'-spiro-bi[thieno[3,4-b][1,4]dioxepine]-6, 6',8,8'-tetrayl)tetrakis(N,N-bis(4-methoxyphenyl)aniline)","","- C93 H80 N4 O24 S2 -","- C93 H80 N4 O24 S2 -","- C372 H320 N16 O96 S8 -","4","1","","Ganesan, Paramaguru; Fu, Kunwu; Gao, Peng; Raabe, Ines; Schenk, Kurt; Scopelliti, Rosario; Luo, Jingshan; Wong, Lydia H.; Grätzel, Michael; Nazeeruddin, Mohammad Khaja","A simple spiro-type hole transporting material for efficient perovskite solar cells","Energy Environ. Sci.","2015","8","7","1986","","10.1039/C4EE03773A","","","1.54178","CuKα","","0.1885","0.1553","","","0.3446","0.3809","","","","","","1.288","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519505","20.9579","0.0005","13.8067","0.0004","15.1219","0.0005","90","","116.493","0.001","90","","3916.2","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H10 Br2 O2 S5 -","- C17 H10 Br2 O2 S5 -","- C136 H80 Br16 O16 S40 -","8","2","","Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.","C17H10Br2O2S5","Crystal Structure Report Archive","2002","","","897","","","","","0.71073","MoKα","","0.0665","0.057","","","0.1449","0.1557","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519623","24.877","0.01","7.087","0.003","7.92","0.003","90","","90.593","0.006","90","","1396.2","1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 I N O2 -","- C15 H10 I N O2 -","- C60 H40 I4 N4 O8 -","4","1","","Huang, Hai; Zhu, Xiaolin; He, Guangke; Liu, Qi; Fan, Junzhen; Zhu, Hongjun","Controlled Synthesis of 1,3,5-Oxadiazin-2-ones and Oxazolones through Regioselective Iodocyclization of Ynamides.","Organic letters","2015","17","10","2510","2513","10.1021/acs.orglett.5b01045","","","0.71073","MoKα","","0.0822","0.0773","","","0.2091","0.2199","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519655","14.0307","0.0016","8.5721","0.001","15.203","0.003","90","","109.89","0.001","90","","1719.4","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Lin, Chao; Zhen, Le; Cheng, Yong; Du, Hong-Jin; Zhao, Hui; Wen, Xiaoan; Kong, Ling-Yi; Xu, Qing-Long; Sun, Hongbin","Visible-light induced isoindoles formation to trigger intermolecular diels-alder reactions in the presence of air.","Organic letters","2015","17","11","2684","2687","10.1021/acs.orglett.5b01078","","","0.71073","MoKα","","0.029","0.0273","","","0.0583","0.0588","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519863","14.6358","0.0002","16.3497","0.0002","12.3448","0.0001","90","","107.455","0.001","90","","2817.98","0.06","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H12 Cl8 N8 O P6 -","- C12 H12 Cl8 N8 O P6 -","- C48 H48 Cl32 N32 O4 P24 -","4","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C12H12Cl8N8OP6","Crystal Structure Report Archive","2007","","","303","","","","","0.71073","MoKα","","0.0332","0.0303","","","0.0662","0.0675","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519879","4.5852","0.0002","21.3953","0.001","9.431","0.0004","90","","90.001","0.003","90","","925.2","0.07","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-ethylphenyl)acetamide","Crystal Structure Report Archive","2008","","","1398","","","","","0.71073","MoKα","","0.0433","0.0376","","","0.0934","0.097","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519889","8.4447","0.0003","19.281","0.0012","7.3108","0.0005","90","","117.051","0.004","90","","1060.14","0.11","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 4-acetamidobenzoate","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","Ethyl 4-acetamidobenzoate","Crystal Structure Report Archive","2008","","","1396","","","","","0.71073","MoKα","","0.041","0.0355","","","0.081","0.085","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519960","13.8261","0.001","11.0607","0.001","9.6798","0.0009","90","","115.478","0.007","90","","1336.3","0.2","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","adipic acid & hexamethyleneimine","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C48 H92 N4 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Hexamethyleneiminium adipate","Crystal Structure Report Archive","2008","","","556","","","","","0.71073","MoKα","","0.0541","0.0438","","","0.0932","0.0993","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519989","14.8296","0.0009","6.0926","0.0003","15.4113","0.0012","90","","109.5","0.003","90","","1312.56","0.15","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H8 Cl4 N3 O2 P3 -","- C4 H8 Cl4 N3 O2 P3 -","- C16 H32 Cl16 N12 O8 P12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C4H8Cl4N3O2P3","Crystal Structure Report Archive","2008","","","484","","","","","0.71073","MoKα","","0.0961","0.0658","","","0.1561","0.1817","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520163","5.3007","0.0004","19.374","0.002","10.078","0.0009","90","","94.012","0.006","90","","1032.43","0.16","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Glutaric acid & 2-imidazolidinone","","- C8 H14 N2 O5 -","- C8 H14 N2 O5 -","- C32 H56 N8 O20 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Glutaric acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","501","","","","","0.71073","MoKα","","0.0556","0.0418","","","0.1023","0.111","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520250","4.6142","0.0002","17.0417","0.0009","9.5621","0.0006","90","","93.378","0.003","90","","750.6","0.07","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","548","","","","","0.71073","MoKα","","0.0367","0.0347","","","0.0758","0.0771","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520253","4.6142","0.0002","17.0417","0.0009","9.5621","0.0006","90","","93.378","0.003","90","","750.6","0.07","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1386","","","","","0.71073","MoKα","","0.0367","0.0347","","","0.0759","0.0773","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520396","10.6695","0.0009","17.3082","0.0017","7.7714","0.0006","90","","116.56","0.003","90","","1283.7","0.2","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H12 Cl2 N2 O3 Si -","- C9 H12 Cl2 N2 O3 Si -","- C36 H48 Cl8 N8 O12 Si4 -","4","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C9H12Cl2N2O3Si","Crystal Structure Report Archive","2009","","","662","","","","","0.71073","MoKα","","0.0982","0.0664","","","0.1369","0.1554","","","","","","1.104","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520403","3.8456","0.001","22.19","0.005","9.448","0.002","90","","90.048","0.015","90","","806.2","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-(4-cyanophenyl)acetamide","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-cyanophenyl)acetamide","Crystal Structure Report Archive","2009","","","1401","","","","","0.71073","MoKα","","0.1246","0.0699","","","0.1401","0.1679","","","","","","1.134","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520465","4.4884","0.0005","22.168","0.003","9.5284","0.0013","90","","90.048","0.007","90","","948.1","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-[4-(trifluoromethoxy)phenyl]acetamide","","- C9 H8 F3 N O2 -","- C9 H8 F3 N O2 -","- C36 H32 F12 N4 O8 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-[4-(trifluoromethoxy)phenyl]acetamide","Crystal Structure Report Archive","2010","","","1400","","","","","0.71073","MoKα","","0.0707","0.0517","","","0.1082","0.1211","","","","","","1.144","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520482","3.6878","0.0003","48.796","0.004","12.4014","0.0012","90","","98.55","","90","","2206.8","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H0 F5 N -","- C13 H6 F5 N -","- C104 H48 F40 N8 -","8","2","","Tizzard, G.; Threlfall, T.; Ling, S.; Coles, S.","(E)-2,4,6-trifluoro-N-(2,3-difluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1427","","","","","0.71073","MoKα","","0.1712","0.0863","","","0.1547","0.1939","","","","","","1.022","","","","has coordinates","139003","2020-10-21","18:00:00",""
"1520966","13.148","","19.076","","9.41","","90","","127","","90","","1884.89","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Fe (P O3)3","","- Fe O9 P3 -","- Fe O9 P3 -","- Fe12 O108 P36 -","12","3","","Elbouaanani, L.K.; Malaman, B.; Gerardin, R.","Structure refinement and magnetic properties of C - Fe (P O3)3 studied by neutron diffraction and Mossbauer techniques","Journal of Solid State Chemistry","1999","148","","455","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521022","14.575","","8.1081","","9.9926","","90","","130.36","","90","","899.82","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","(Xe2 F3) (Sb F6)","","- F9 Sb Xe2 -","- F9 Sb Xe2 -","- F36 Sb4 Xe8 -","4","1","","Fir, B.A.; Gerken, M.; Dixon, D.A.; Mercier, H.P.A.; Pointner, B.E.; Schrobilgen, G.J.D.","An X-ray crystallographic study of (Xe2 F3) (Sb F6) and dimorphism in (Xe2 F3) (As F6): and a density functional theory study of the (Xe2 F3)(+) cation","Journal of Fluorine Chemistry","2000","105","","159","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521139","11.8147","","6.816","","11.92","","90","","109.391","","90","","905.455","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cu6 P S5 Br","","- Br Cu6 P S5 -","- Br Cu6 P S5 -","- Br4 Cu24 P4 S20 -","4","1","","Haznar, A.; Pietraszko, A.; Studenyak, I.P.","X-ray study of the superionic phase transition in Cu6 P S5 Br","Solid State Ionics","1999","119","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521209","9.3249","","5.4133","","9.3415","","90","","109.106","","90","","445.57","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Zr V2 D1.94","","- D1.94 V2 Zr -","- D1.94 V2 Zr -","- D15.52 V16 Zr8 -","8","2","","Irodova, A.V.; Suard, E.","Evolution of hydrogen superstructure with k = (1/2,1/2,1/2) in Zr V2 D2+d, -0.8<d<0.2","Journal of Alloys Compd.","1999","291","","184","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521210","9.3564","","5.4265","","9.3709","","90","","109.205","","90","","449.306","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Zr V2 D2.18","","- D2.18 V2 Zr -","- D2.179 V2 Zr -","- D17.432 V16 Zr8 -","8","2","","Irodova, A.V.; Suard, E.","Evolution of hydrogen superstructure with k = (1/2,1/2,1/2) in Zr V2 D2+d, -0.8<d<0.2","Journal of Alloys Compd.","1999","291","","184","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521211","9.2301","","5.3616","","9.2448","","90","","109.043","","90","","432.47","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Hf V2 D1.922","","- D1.922 Hf V2 -","- D1.922 Hf V2 -","- D15.376 Hf8 V16 -","8","2","","Irodova, A.V.; Suard, E.","Evolution of hydrogen superstructure with k = (1/2,1/2,1/2) in Zr V2 D2+d, -0.8<d<0.2","Journal of Alloys Compd.","1999","291","","184","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523213","10.993","","5.749","","8.13","","90","","113.96","","90","","469.531","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Na4 (Co O3)","","- Co Na4 O3 -","- Co Na4 O3 -","- Co4 Na16 O12 -","4","1","","Barker, M.G.; Fairhall, G.A.","The preparation and crystal structure of the ternary oxides Na4 Co O3 and Na10 Co4 O9","Journal of Chemical Research (Synopsis)","1979","1979","","371","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524469","5.1038","","8.8287","","19.148","","90","","95.46","","90","","858.893","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","(Ca0.88 Na0.12) Al2 (Si2.12 Al1.88 O10) (O H)2","","- Al3.88 Ca0.88 H2 Na0.12 O12 Si2.12 -","- Al3.883 Ca0.88 Na0.12 O12 Si2.117 -","- Al15.532 Ca3.52 Na0.48 O48 Si8.468 -","4","1","","Guggenheim, S.; Bailey, S.W.","Refinement of the margerite structure in the subgroup symmetry: correction, further refinement and comments","American Mineralogist","1978","63","","186","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525443","7.71","","19.474","","7.216","","90","","116.75","","90","","967.492","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Cs V O F3 (H2 O)0.5","","- Cs F3 H O1.5 V -","- Cs F3 O1.5 V -","- Cs8 F24 O12 V8 -","8","2","","Waltersson, K.","The crystal structure of Cs V O F3 (H2 O)0.5","Journal of Solid State Chemistry","1979","28","","121","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526187","6.653","","11.537","","6.665","","90","","109.39","","90","","482.56","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cu2 Sn S3","","- Cu2 S3 Sn -","- Cu2 S3 Sn -","- Cu8 S12 Sn4 -","4","1","","Onoda, M.; Chen, X.-A.; Sato, A.; Wada, H.","Crystal structure and twinning of monoclinic Cu2 Sn S3","Materials Research Bulletin","2000","35","","1563","1570","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526401","12.948","","12.483","","8.639","","90","","95.76","","90","","1389.27","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","(Al P O4)3 ((C H3)2 C O N H) (H2 O)","","- C3 H9 Al3 N O14 P3 -","- C3 H9 Al3 N O14 P3 -","- C12 H36 Al12 N4 O56 P12 -","4","1","","Roux, M.T.; Paillaud, J.L.; Marichal, C.; Fernandez, C.; Baerlocher, C.; Chezeau, J.M.","Structural investigation by multinuclear solid state NMR and X-ray diffraction of as-synthesized, dehydrated, and calcined Al P O4 - SOD","J. Phys. Chem. B","2001","105","","9083","9092","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526943","8.621","","23.543","","11.358","","90","","110.58","","90","","2158.15","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(Na4 (H2 O)14) (Sn S4)","","- H28 Na4 O14 S4 Sn -","- H28 Na4 O14 S4 Sn -","- H112 Na16 O56 S16 Sn4 -","4","1","","Willett, R. D.; Vij, A.; Imhof, J. M.; Cleary, D. A.","Redetermination of the crystal structure of [Na~4~(H~2~O)~14~]SnS~4~: a compound containing a novel chain of aquated sodium ions","Journal of Chemical Crystallography","2000","30","6","405","410","10.1023/A:1009534006447","","","","","","","","","","","","","","","","","","","","","has coordinates","189203","2020-10-21","18:00:00",""
"1527091","9.98","","5.03","","9.84","","90","","138.8","","90","","325.368","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","V3 O5","","- O5 V3 -","- O5 V3 -","- O20 V12 -","4","1","","Asbrink, S.; Friberg, S.; Magneli, A.; Andersson, G.","Note on the crystal structure of trivanadium pentoxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1959","13","","603","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","148398","2020-10-21","18:00:00",""
"1527159","20.454","","8.382","","7.193","","90","","90.61","","90","","1233.14","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cu Ga (Se0.65 Te1.35)","","- Cu Ga Se0.65 Te1.35 -","- Cu Ga Se0.65 Te1.35 -","- Cu12 Ga12 Se7.8 Te16.2 -","12","3","","Bocelli, G.; Calestani, C.; de Melo, A.; Leccabue, F.; Watts, B.E.; Pelosi, C.","Crystalographic properties of some ternary and multinary Te-based semiconductors","Journal of Crystal Growth","1991","113","","663","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527544","10.967","","5.82","","8.224","","90","","114","","90","","479.539","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Na4 (Fe O3)","","- Fe Na4 O3 -","- Fe Na4 O3 -","- Fe4 Na16 O12 -","4","1","","Hoppe, R.; Rieck, H.","Zur Kenntnis von Na4 (Fe O3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","437","","95","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527686","12.31","","7.041","","12.336","","90","","110.38","","90","","1002.29","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cd4 Si S6","","- Cd4 S6 Si -","- Cd4 S6 Si -","- Cd16 S24 Si4 -","4","1","","Krebs, B.; Mandt, J.","Struktur und Eigenschaften von Cd4 Si S6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","388","","193","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527856","10.772","","10.771","","15.636","","90","","100.06","","90","","1786.28","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Tl Ga Se2","","- Ga Se2 Tl -","- Ga Se2 Tl -","- Ga16 Se32 Tl16 -","16","4","","Mueller, D.; Hahn, H.","Zur Struktur des Tl Ga Se2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","438","","258","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527900","5.9439","","10.295","","22.858","","90","","90","","90","","1398.74","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","Ti0.685 S","","- S Ti0.685 -","- S Ti0.685 -","- S48 Ti32.88 -","48","12","","Onoda, M.; Saeki, M.; Kawada, I.","Superstructures of Ti2 S3 (4H)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","457","","62","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527901","10.286","","5.9383","","34.924","","90","","90","","90","","2133.21","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","Ti0.662 S","","- S Ti0.662 -","- S Ti0.662333 -","- S72 Ti47.688 -","72","18","","Onoda, M.; Kawada, I.; Saeki, M.","Superstructures of Ti2 S3 (4H)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","457","","62","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527998","9.874","","6.891","","23.49","","90","","99.4","","90","","1576.84","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cr (P O4) (H2 O)6","","- Cr H12 O10 P -","- Cr O10 P -","- Cr8 O80 P8 -","8","2","","Rodek, E.; Sterzel, W.; Theile, N.","Kristalline Chrom(III)-Phosphat-Hexahydrate","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","462","","42","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528411","8.144","","10.216","","12.418","","90","","105.577","","90","","995.219","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Ga Cl3 ((C H3)3 P O)","","- C3 H9 Cl3 Ga O P -","- C3 H9 Cl3 Ga O P -","- C12 H36 Cl12 Ga4 O4 P4 -","4","1","","Cheng Fei; Codgbrook, H.L.; Zhang Wenjian; Hector, A.L.; Reid, G.; Webster, M.; Levason, W.","Gallium(III) halide complexes with phosphines, arsines and phosphine oxides - a comparative study","Polyhedron","2007","26","","4147","4155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529030","6.7478","","8.8651","","12.988","","90","","95.569","","90","","773.274","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","(Mn (N H2 (C H2 P O3 H) (C H2 P O3))) (H2 O)","","- C2 H9 Mn N O7 P2 -","- C2 H9 Mn N O7 P2 -","- C8 H36 Mn4 N4 O28 P8 -","4","1","","Yang, B.-P.; Prosvirin, A.V.; Mao, J.-G.; Zhao, H.-H.","Syntheses and crystal structures of a series of new divalent metal phosphonates with imino-bis(methylphosphonic acid)","Journal of Solid State Chemistry","2006","179","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529420","13.1195","0.0009","25.1207","0.0017","6.0786","0.0004","90","","103.299","0.007","90","","1949.6","0.2","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H23 Cl F2 N2 O -","- C21 H23 Cl F2 N2 O -","- C84 H92 Cl4 F8 N8 O4 -","4","1","","Chen, Qiao; Zhou, Jiawei; Wang, Yanan; Wang, Chao; Liu, Xihong; Xu, Zhaoqing; Lin, Li; Wang, Rui","Transition-Metal-Free Dehydrosilylative Difluoroamidation of Tetrahydroisoquinolines under Mild Conditions.","Organic letters","2015","17","17","4212","4215","10.1021/acs.orglett.5b01997","","x-ray","0.71073","MoKα","","0.0519","0.0412","","","0.0815","0.0889","","","","","","1.044","","","","has coordinates","154789","2020-10-21","18:00:00",""
"1529450","7.08","0.0003","20.666","0.001","8.2442","0.0005","90","","100.632","0.002","90","","1185.54","0.11","150","2","150","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C14 H10 I N -","- C14 H10 I N -","- C56 H40 I4 N4 -","4","1","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.0238","0.0233","","","0.0563","0.0566","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529761","27.333","","10.139","","10.099","","90","","106.83","","90","","2678.85","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(Cs2 S O4)3 Gd2 (S O4)3","","- Cs6 Gd2 O24 S6 -","- Cs6 Gd2 O24 S6 -","- Cs24 Gd8 O96 S24 -","4","1","","Chibiskova, N.T.; Palkina, K.K.; Storozhenko, D.A.; Maksimova, N.V.; Skorikov, V.M.; Shevchuk, V.G.","Structure of crystals of the bisulfate (Cs2 S O4)3 Gd2 (S O4)3","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1984","20","","1944","1946","","","","","","","","","","","","","","","","","","","","","","has coordinates","154372","2020-10-21","18:00:00",""
"1529902","17.266","","9.738","","17.092","","90","","111.03","","90","","2682.37","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Li Zn (P O4)","","- Li O4 P Zn -","- Li O4 P Zn -","- Li32 O128 P32 Zn32 -","32","8","","Elfakir, A.; Souron, J.P.; Robert, F.; Quarton, M.","Structure cristalline de l'orthophosphate Li Zn P O4","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1989","309","","199","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529913","17.213","","6.342","","8.168","","90","","97.7","","90","","883.619","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(Na (Sb F3))2 (C2 O4)","","- C2 F6 Na2 O4 Sb2 -","- C2 F6 Na2 O4 Sb2 -","- C8 F24 Na8 O16 Sb8 -","4","1","","Escande, P.; Fourcade, R.; Tichit, D.; Ducourant, M.B.; Mascherpa, G.","Interaction paire electronique libre-liaison pi dans un systeme non symetrique. Structure cristalline de Na2 C2 O4 (Sb F3)2","Annales de Chimie (Paris)","1978","1978","","124","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","154825","2020-10-21","18:00:00",""
"1530079","15.0374","","6.4114","","6.4932","","90","","118.768","","90","","548.749","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Mg2 Ni H4","","- H4 Mg2 Ni -","- Mg2 Ni -","- Mg16 Ni8 -","8","2","","Hayakawa, H.; Ishido, Y.; Ono, S.; Uruno, H.; Nomura, K.","Phase transformations among the polymorphs of Mg2 Ni H4","Journal of the Less-Common Metals","1984","103","","277","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530182","19.341","","6.95","","10.782","","90","","105.4","","90","","1397.28","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cs2 Hf (Mo O4)3","","- Cs2 Hf Mo3 O12 -","- Cs2 Hf Mo3 O12 -","- Cs8 Hf4 Mo12 O48 -","4","1","","Klevtsova, R.F.; Antonova, A.A.; Glinskaya, L.A.","Crystal structure of Cs2 Hf (Mo O4)3","Kristallografiya","1980","25","","161","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530206","8.598","","11.733","","13.375","","90","","90.48","","90","","1349.23","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Ce (N H4)2 (P O3)5","","- Ce H8 N2 O15 P5 -","- Ce N2 O15 P5 -","- Ce4 N8 O60 P20 -","4","1","","Krasnikov, V.V.; Vaivada, M.; Konstant, Z.A.","Synthesis of Cerium Phosphates by Thermal Polycondensation of Mixtures CeO2 - NH4H2PO4 and Investigation of Their Structure","Journal of Solid State Chemistry","1988","74","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530492","5.16","","15.94","","5.41","","90","","86.1","","90","","443.944","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Ca Zn (Si O4) (H2 O)","","- Ca H2 O5 Si Zn -","- Ca O5 Si Zn -","- Ca4 O20 Si4 Zn4 -","4","1","","Nikitin, A.V.; Belov, N.V.","The crystal structure of clinohedrite Ca2 Zn2 (O H)2 Si2 O7 = (Ca Zn (Si O4))2 (H2 O)","Doklady Akademii Nauk SSSR","1963","148","","1386","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530543","29.14","","5.574","","14.22","","90","","91.4","","90","","2309.01","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Na3 Nd (V O4)2","","- Na3 Nd O8 V2 -","- Na3 Nd O8 V2 -","- Na36 Nd12 O96 V24 -","12","3","","Parent, C.; Fava, J.; Lemaitre-Blaise, M.; Vlasse, M.; le Flem, G.; Salmon, R.; Hagenmuller, P.; Caro, P.; Antic-Fidancev, E.","Les vanadates Na3 Ln (V O4)2 (Ln = Pr, Nd, Sm, Eu, Gd, Tb)","Nouveau Journal de Chimie","1979","3","","523","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530651","8.786","","9.907","","17.73","","90","","92.09","","90","","1542.24","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Hf (S O4)2 (Na2 (S O4))2 (H2 O)2","","- H4 Hf Na4 O18 S4 -","- Hf Na4 O18 S4 -","- Hf4 Na16 O72 S16 -","4","1","","Rogachev, D.L.; Sadikov, G.G.; Dikareva, L.M.; Kuznetsov, V.J.","The structure of hafnium and sodium disulfate Hf (S O4)2 (Na2 S O4)2 (H2 O)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530655","7.8","","4.876","","9.527","","90","","122.25","","90","","306.44","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Rb (C N)","","- C N Rb -","- C N Rb -","- C4 N4 Rb4 -","4","1","","Rowe, J.M.; Rush, J.J.; Luty, F.","Crystal structure of rubidium cyanide at 4 K determined by neutron powder diffraction","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1984","29","","2168","2170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530771","5.131","","15.928","","5.422","","90","","103.39","","90","","431.076","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Ca Zn (Si O4) (H2 O)","","- Ca H2 O5 Si Zn -","- Ca H2 O5 Si Zn -","- Ca4 H8 O20 Si4 Zn4 -","4","1","","Simonov, M.A.; Belokoneva, E.L.; Egorov-Tismenko, Yu.K.; Belov, N.V.","The crystal structure of Clinohedrite Ca Zn (Si O4) (H2 O)","Doklady Akademii Nauk SSSR","1977","237","","334","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531124","6.502","","11.214","","9.682","","90","","105.25","","90","","681.089","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Pr (B4 O6 (O H)2) Cl","","- B4 Cl H2 O8 Pr -","- B4 Cl O8 Pr -","- B16 Cl4 O32 Pr4 -","4","1","","Belokoneva, E.L.; Stefanovich, S.Yu.; Dimitrova, O.V.; Ivanova, A.G.","New nonlinear optical crystals of Ln (B4 O6 (O H)2) Cl (Ln = Pr, Nd) and their structural relation to pentaborates in terms of the OD theory","Zhurnal Neorganicheskoi Khimii","2002","47","","370","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531125","6.486","","11.156","","9.641","","90","","105.28","","90","","672.941","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Nd (B4 O6 (O H)2) Cl","","- B4 Cl H2 Nd O8 -","- B4 Cl Nd O8 -","- B16 Cl4 Nd4 O32 -","4","1","","Belokoneva, E.L.; Ivanova, A.G.; Dimitrova, O.V.; Stefanovich, S.Yu.","New nonlinear optical crystals of Ln (B4 O6 (O H)2) Cl (Ln = Pr, Nd) and their structural relation to pentaborates in terms of the OD theory","Zhurnal Neorganicheskoi Khimii","2002","47","","370","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531360","19.66","","11.037","","19.352","","90","","121.21","","90","","3591.42","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C60 F18 -","- C60 F18 -","- C240 F72 -","4","1","","Goldt, I.V.; Boltalina, O.V.; Kemnitz, E.; Sidorov, L.N.; Troyanov, S.I.","Preparation and crystal structure of solvent free C60 F18","Solid State Sciences","2002","4","","1395","1401","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531466","12.302","","7.1031","","12.2791","","90","","109.721","","90","","1010.04","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Hg4 Si S6","","- Hg4 S6 Si -","- Hg4 S6 Si -","- Hg16 S24 Si4 -","4","1","","Gulay, L.D.; Olekseyuk, I.D.; Parasyuk, O.V.","Crystal structure of the Hg4 Si S6 and Hg4 Si Se6 compounds","Journal of Alloys Compd.","2002","347","","115","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531469","12.811","","7.4034","","12.7471","","90","","109.721","","90","","1138.09","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Hg4 Si Se6","","- Hg4 Se6 Si -","- Hg4 Se6 Si -","- Hg16 Se24 Si4 -","4","1","","Gulay, L.D.; Olekseyuk, I.D.; Parasyuk, O.V.","Crystal structure of the Hg4 Si S6 and Hg4 Si Se6 compounds","Journal of Alloys Compd.","2002","347","","115","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532045","12.8266","","7.3591","","12.8197","","90","","110.052","","90","","1136.73","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cd4 Si Se6","","- Cd4 Se6 Si -","- Cd4 Se6 Si -","- Cd16 Se24 Si4 -","4","1","","Parasyuk, O.V.; Olekseyuk, I.D.; Piskach, L.V.; Gulay, L.D.","Phase diagrams of the (Ag2 Se) - (Zn (Cd) Se) - (Si Se2) systems and crystal structure of the Cd4 Si Se6 compound","Journal of Alloys Compd.","2003","354","","138","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532421","12.968","","6.444","","9.818","","90","","118.27","","90","","722.59","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Fe Co (P O4) F","","- Co F Fe O4 P -","- Co F Fe O4 P -","- Co8 F8 Fe8 O32 P8 -","8","2","","Yu, Ranbo; Wang, Dan; Takei, Takahiro; Koizumi, Hitoshi; Kumada, Nobuhiro; Kinomura, Nobukazu","Crystal Structure of a Novel Iron-Cobalt Phosphate Fluoride","Journal of the Society of Inorganic Materials, Japan","2002","9","297","99","104","10.11451/mukimate2000.9.99","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532689","6.967","","12.0493","","6.9453","","90","","109.19","","90","","550.643","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cu2 (Sn Se3)","","- Cu2 Se3 Sn -","- Cu2 Se3 Sn -","- Cu8 Se12 Sn4 -","4","1","","Delgado, G.E.; Mora, A.J.; Marcano, G.; Rincon, C.","Crystal structure refinement of the semiconducting compound Cu2 Sn Se3 from X-ray powder diffraction data","Materials Research Bulletin","2003","38","","1949","1955","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532817","12.74","","8.816","","12.571","","90","","115.97","","90","","1269.35","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Na2 (C O3) (H2 O)10","","- C H20 Na2 O13 -","- C H20 Na2 O13 -","- C4 H80 Na8 O52 -","4","1","","Libowitzky, E.; Giester, G.","Washing soda (natron), Na2 C O3 * 10(H2 O) revised: crystal structures at low and ambient temperatures","Mineralogy and Petrology","2003","77","","177","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532820","12.75","","9.001","","12.59","","90","","115.83","","90","","1300.51","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Na2 (C O3) (H2 O)10.12","","- C H20.24 Na2 O13.12 -","- C H20 Na2 O13.12 -","- C4 H80 Na8 O52.48 -","4","1","","Libowitzky, E.; Giester, G.","Washing soda (natron), Na2 C O3 * 10(H2 O) revised: crystal structures at low and ambient temperatures","Mineralogy and Petrology","2003","77","","177","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533075","6.41","","15.18","","5.86","","90","","119.2","","90","","497.74","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ca (H P O4) (H2 O)2","","- Ca H5 O6 P -","- Ca H5 O6 P -","- Ca4 H20 O24 P4 -","4","1","","Sainz-Diaz, C.I.; Villacampa, A.; Otalora, F.","Crystallographic properties of the calcium phosphate mineral, brushite, by means of first principles calculations","American Mineralogist","2004","89","","307","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533535","18.077","","20.509","","7.5172","","90","","90.03","","90","","2786.94","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Na6.68 Se9.82 (Al5.99 Si41.96 O96) (H2 O)9.87","","- Al5.99 H19.74 Na6.68 O105.87 Se9.82 Si41.96 -","- Al5.9904 Na6.68 O105.872 Se9.816 Si41.9616 -","- Al5.9904 Na6.68 O105.872 Se9.816 Si41.9616 -","1","0.25","","Simoncic, P.; Armbruster, T.","Se incorporated into zeolite mordenite-Na : a single-crystal X-ray study","Microporous and Mesoporous Materials","2004","71","","185","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534266","17.413","","6.552","","7.91","","90","","133.16","","90","","658.29","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","Tl2 Te3","","- Te3 Tl2 -","- Te3 Tl2 -","- Te12 Tl8 -","4","1","","Bhan, S.; Schubert, K.","Kristallstruktur von Tl5 Te3 und Tl2 Te3","Journal of the Less-Common Metals","1970","20","","229","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","160812","2020-10-21","18:00:00",""
"1534424","7.318","","13.092","","9.441","","90","","100.79","","90","","888.524","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(N H4)2 (H N3 O6 S3)","","- H9 N5 O6 S3 -","- H9 N5 O6 S3 -","- H36 N20 O24 S12 -","4","1","","Rustad, D. S.","The Synthesis and Some Properties of Diammonium Hydrogentrisulfimide (Diammonium 2-Hydrogen,1,3,5,2,4,6-Trithiatriazine,1,1,3,3,5,5-Hexoxide), (NH4)2HN3S3O6, and the X-Ray Structure of the Hydrogentrisulfimide Ion","Phosphorus, Sulfur, Silicon and Related Elements","2003","178","","235","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","161156","2020-10-21","18:00:00",""
"1534726","19.72","","7.712","","7.823","","90","","96.5","","90","","1182.08","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Zn (Ag (S C N)2)2","","- C4 Ag2 N4 S4 Zn -","- C4 Ag2 N4 S4 Zn -","- C16 Ag8 N16 S16 Zn4 -","4","1","","Lu, S.-F.; He, M.-Y.; Huang, J.-L.","The Crystal Structure of Bimetallic Zinc(II) Silver(I) Tetrathiocyanate Complex Zn Ag2 (S C N)4","Journal of Structural Chemistry (China)","1982","1","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534844","9.2479","","9.86","","33.622","","90","","94.73","","90","","3055.36","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rb3 (Zr2 P5 S18)","","- P5 Rb3 S18 Zr2 -","- P5 Rb3 S18 Zr2 -","- P20 Rb12 S72 Zr8 -","4","1","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A = Rb, Cs): the first quaternary zirconium thiophosphates","Solid State Sciences","2004","6","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","161882","2020-10-21","18:00:00",""
"1534845","24.0253","","6.728","","11.6293","","90","","93.787","","90","","1875.68","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(Cl4 Sn (H2 O)2) (H2 O)2","","- Cl4 H8 O4 Sn -","- Cl4 H8 O4 Sn -","- Cl32 H64 O32 Sn8 -","8","2","","Shihada, A.-F.; Abushamleh, A.S.; Weller, F.","Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O), cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and (HL) (Sn Cl5 (H2 O)). 2.5(H2 O) (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18 H18 N4 O2) loop","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","841","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534848","9.2882","","9.956","","34.061","","90","","94.26","","90","","3141.03","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cs3 (Zr2 P5 S18)","","- Cs3 P5 S18 Zr2 -","- Cs3 P5 S18 Zr2 -","- Cs12 P20 S72 Zr8 -","4","1","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A = Rb, Cs): the first quaternary zirconium thiophosphates","Solid State Sciences","2004","6","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","161887","2020-10-21","18:00:00",""
"1534940","11.987","","10.72","","15.639","","90","","100.8","","90","","1974.03","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(Se4 Te3) (W O Cl4)2","","- Cl8 O2 Se4 Te3 W2 -","- Cl8 O2 Se4 Te3 W2 -","- Cl32 O8 Se16 Te12 W8 -","4","1","","Beck, J.; Schloerb, T.","Polymers in the form of linked rings - a novel type of structures for chalcogen polycations. The crystal structures of (Se4.85 Te3.15) (W O Cl4)2 and (Se4 Te3) (W O Cl4)2","Phosphorus, Sulfur, Silicon and Related Elements","1997","124","","125","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","162021","2020-10-21","18:00:00",""
"1535393","23.3186","","13.4014","","18.389","","90","","102.61","","90","","5607.98","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cs20 (Sn4)2 (Si O4)3","","- Cs20 O12 Si3 Sn8 -","- Cs20 O12 Si3 Sn8 -","- Cs80 O48 Si12 Sn32 -","4","1","","Hoch, C.; Roehr, C.","Akalimetall-Stannid-Silicate und -Germanate: ""Doppelsalze"" mit dem Zintl-Anion (Sn4)(4-)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1541","1548","","","","","","","","","","","","","","","","","","","","","","has coordinates","162728","2020-10-21","18:00:00",""
"1535897","10.649","","15.149","","9.32","","90","","124.49","","90","","1239.24","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rb3 Tm (S O4)3","","- O12 Rb3 S3 Tm -","- O12 Rb3 S3 Tm -","- O48 Rb12 S12 Tm4 -","4","1","","Iskhakova, L.D.; Gasanov, Yu.M.","Double sulfates M3 TR (S O4)3 (M= K, Rb) with frame-structure","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","110","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535959","8.951","","12.67","","7.037","","90","","123.5","","90","","665.491","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Ba (N H2)2","","- Ba H4 N2 -","- Ba H4 N2 -","- Ba8 H32 N16 -","8","2","","Jacobs, H.; Hadenfeldt, C.","Die Kristallstruktur von Bariumamid, Ba (N H2)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","418","","132","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1536049","11.092","","8.984","","17.863","","90","","100.85","","90","","1748.24","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Rb1.69 (La (N O3)5 (H2 O)2) (H2 O)1.97","","- H7.94 La N5 O18.97 Rb1.69 -","- La N5 O18.97 Rb1.69 -","- La4 N20 O75.88 Rb6.76 -","4","1","","Vigdorchik, A.G.; Malinovskii, Yu.A.; Stefanovich, S.Yu.; Kalinin, V.B.; Dryuchko, A.G.; Verin, I.A.","Synthesis and X-ray investigation of rubidium rare earth nitrates Rb2(Ln(NO3)5(H2O)2)(H2O)2 , where Ln=La,Ce.","Kristallografiya","1992","37","","1449","1462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536052","11.073","","8.945","","17.79","","90","","101.15","","90","","1728.8","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Rb2 (La (N O3)5 (H2 O)2) (H2 O)2","","- H8 La N5 O19 Rb2 -","- La N5 O19 Rb2 -","- La4 N20 O76 Rb8 -","4","1","","Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G.; Verin, I.A.; Kalinin, V.B.; Stefanovich, S.Yu.","Synthesis and X-ray investigation of rubidium rare earth nitrates Rb2 (Ln (N O3)5 (H2 O)2) * 2(H2 O) , where Ln= La, Ce.","Kristallografiya","1992","37","","1449","1462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536055","11.027","","8.937","","17.817","","90","","101.06","","90","","1723.22","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Rb1.82 (Ce (N O3)5 (H2 O)2) (H2 O)2","","- Ce H8 N5 O19 Rb1.82 -","- Ce N5 O19 Rb1.82 -","- Ce4 N20 O76 Rb7.28 -","4","1","","Vigdorchik, A.G.; Stefanovich, S.Yu.; Dryuchko, A.G.; Kalinin, V.B.; Malinovskii, Yu.A.; Verin, I.A.","Synthesis and X-ray investigation of rubidium rare earth nitrates Rb2(Ln(NO3)5(H2O)2)*2H2O , where Ln=La,Ce.","Kristallografiya","1992","37","","1449","1462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536058","11.003","","8.887","","17.737","","90","","101.65","","90","","1698.66","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Rb2 (Ce (N O3)5 (H2 O)2) (H2 O)2","","- Ce H8 N5 O19 Rb2 -","- Ce N5 O19 Rb2 -","- Ce4 N20 O76 Rb8 -","4","1","","Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G.; Stefanovich, S.Yu.; Verin, I.A.; Kalinin, V.B.","Synthesis and X-ray investigation of rubidium rare earth nitrates Rb2(Ln(NO3)5(H2O)2)*2H2O , where Ln=La,Ce.","Kristallografiya","1992","37","","1449","1462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536395","17.357","","6.809","","8.133","","90","","100.96","","90","","943.657","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Na Th2 (P O4)3","","- Na O12 P3 Th2 -","- Na O12 P3 Th2 -","- Na4 O48 P12 Th8 -","4","1","","Kalinin, V.B.; Golubev, A.M.; Stefanovich, S.Yu.; Tafeenko, V.A.","Crystal structure and phase transitions in Na Th2 (P O4)3.","Kristallografiya","1992","37","","1220","1226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536423","13.55","","6.538","","10.894","","90","","135.03","","90","","682.07","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","In (P O3)3","","- In O9 P3 -","- In O9 P3 -","- In4 O36 P12 -","4","1","","Palkina, K.K.; Maksimova, S.I.; Chibiskova, N.T.; Chudinova, N.N.; Karmanovskaya, N.B.","Crystal structure of indium polyphosphate In (P O3)3-C'","Zhurnal Neorganicheskoi Khimii","1993","38","","1270","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536467","14.944","","12.916","","9.945","","90","","100.483","","90","","1887.51","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","K3 ((Nb2 Se2) (Se2)3 (As Se3))","","- As K3 Nb2 Se11 -","- As K3 Nb2 Se11 -","- As4 K12 Nb8 Se44 -","4","1","","Do Jung-Hwan; Kanatzidis, M.G.","The noncentrosymmetric chain compounds, A3 M2 As Se11 (A = K, Rb, Cs; M = Nb, Ta)","Journal of Alloys Compd.","2004","381","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536471","15.111","","13.2423","","10.0413","","90","","99.768","","90","","1980.18","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rb3 ((Nb2 Se2) (Se2)3 (As Se3))","","- As Nb2 Rb3 Se11 -","- As Nb2 Rb3 Se11 -","- As4 Nb8 Rb12 Se44 -","4","1","","Do Jung-Hwan; Kanatzidis, M.","The noncentrosymmetric chain compounds, A3 M2 As Se11 (A = K, Rb, Cs; M = Nb, Ta)","Journal of Alloys Compd.","2004","381","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536475","15.254","","13.748","","10.187","","90","","98.367","","90","","2113.6","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cs3 ((Nb2 Se2) (Se2)3 (As Se3))","","- As Cs3 Nb2 Se11 -","- As Cs3 Nb2 Se11 -","- As4 Cs12 Nb8 Se44 -","4","1","","Do Jung-Hwan; Kanatzidis, M.","The noncentrosymmetric chain compounds, A3 M2 As Se11 (A = K, Rb, Cs; M = Nb, Ta)","Journal of Alloys Compd.","2004","381","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536479","14.924","","12.938","","9.9431","","90","","100.319","","90","","1888.83","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","K3 ((Ta2 Se2) (Se2)3 (As Se3))","","- As K3 Se11 Ta2 -","- As K3 Se11 Ta2 -","- As4 K12 Se44 Ta8 -","4","1","","Do Jung-Hwan; Kanatzidis, M.","The noncentrosymmetric chain compounds, A3 M2 As Se11 (A= K, Rb, Cs; M= Nb, Ta)","Journal of Alloys Compd.","2004","381","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536513","14.12","","24.62","","9.151","","90","","100.22","","90","","3130.73","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Li107 Cu56.48 Si60.36","","- Cu56.48 Li107 Si60.36 -","- Cu56.48 Li107 Si60.36 -","- Cu56.48 Li107 Si60.36 -","1","0.25","","Pavlyuk, V.V.; Pecharskii, V.K.; Kevorkov, D.G.; Bodak, O.I.","Crystal structure of Li113 Cu54 Si57","Kristallografiya","1995","40","","185","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","164247","2020-10-21","18:00:00",""
"1536723","12.9993","","7.1987","","30.899","","90","","96","","90","","2875.63","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cs8 (Sb22 O37)","","- Cs8 O37 Sb22 -","- Cs8 O37 Sb22 -","- Cs16 O74 Sb44 -","2","0.5","","Emmerling, F.; Roehr, C.","Die Oxoantimonate(III) Rb2 Sb8 O13 und Cs2 Sb22 O37: neue Schicht- und Gerueststrukturen mit ""lone-pair""-Kationen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1218","1225","","","","","","","","","","","","","","","","","","","","","","has coordinates","164552","2020-10-21","18:00:00",""
"1536789","8.012","","15.79","","7.019","","90","","100.78","","90","","872.3","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Na3 Ca (Mn0.5 Ca0.5) (C O3)3 F","","- C3 Ca1.5 F Mn0.5 Na3 O9 -","- C3 Ca1.5 F Mn0.5 Na3 O9 -","- C12 Ca6 F4 Mn2 Na12 O36 -","4","1","","Yamnova, N.A.; Pushcharovskii, D.Yu.; Khomyakov, A.P.; Vyatkin, S.V.","Crystal structure of a new natural fluorocarbonate Na3 Ca (Mn, Ca) (C O3)3 F","Kristallografiya","1991","36","","30","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536810","10.494","","9.434","","5.863","","90","","108.8","","90","","549.472","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Na (V O3)","","- Na O3 V -","- Na O3 V -","- Na8 O24 V8 -","8","2","","Ramani, K.; Shaikh, A.M.; Viswamitra, M.A.; Reddy, B.S.","Crystal structure of ferroelectric sodium metavanadate, Na V O3","Ferroelectrics","1975","9","","49","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537184","7.96","","4.59","","9.18","","90","","125.3","","90","","273.736","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","K (C N)","","- C K -","- C K -","- C4 K4 -","4","1","","Rowe, J.M.; Rush, J.J.; Susman, S.","Neutron powder diffraction study of phase transitions and structures of (K C N)x (K Br)1-x mixed crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","3506","3511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537188","7.47","","4.53","","8.97","","90","","122.3","","90","","256.568","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","K (C N)","","- C K -","- C K -","- C4 K4 -","4","1","","Rowe, J.M.; Susman, S.; Rush, J.J.","Neutron powder diffraction study of phase transitions and structures of (K C N)x (K Br)1-x mixed crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","350","3511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537192","8.02","","4.21","","10.4","","90","","130.4","","90","","267.412","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","K (C N)","","- C K -","- C K -","- C4 K4 -","4","1","","Rowe, J.M.; Rush, J.J.; Susman, S.","Neutron powder diffraction study of ohase transitions and structures of (K C N)x (K Br)1-x nixed crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","3506","3511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537196","7.59","","4.6","","9.18","","90","","122.3","","90","","270.915","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","(K C N)0.95 (K Br)0.05","","- C0.95 K -","- C0.95 K -","- C3.8 K4 -","4","1","","Rowe, J.M.; Rush, J.J.; Susman, S.","Neutron powder diffraction study of ohase transitions and structures of (K C N)x (K Br)1-x mixed crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","3506","3511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537199","8.04","","4.34","","10.34","","90","","130.1","","90","","275.984","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","(K C N)0.95 (K Br)0.05","","- C0.95 K -","- C0.95 K -","- C3.8 K4 -","4","1","","Rowe, J.M.; Rush, J.J.; Susman, S.","Neutron powder diffraction study of phase transitions and structures of (K C N)x (K Br)1-x mixed crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","3506","3511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537203","11.734","","15.695","","9.268","","90","","132","","90","","1268.43","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","K Ce2 (S O4)4","","- Ce2 K O16 S4 -","- Ce2 K O16 S4 -","- Ce8 K4 O64 S16 -","4","1","","Kuznetsov, V.Ya.; Dikareva, L.M.; Porai-Koshits, M.A.; Rogachev, D.L.","Structure of K Ce(III) Ce(IV) (S O4)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1990","31","","14","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537204","7.6","","4.6","","9.2","","90","","122.4","","90","","271.563","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","(K C N)0.9 (K Br)0.1","","- C0.9 K -","- C0.9 K -","- C3.6 K4 -","4","1","","Rowe, J.M.; Susman, S.; Rush, J.J.","Neutron powder diffraction study of phase transitions and structures of (K C N)x (K Br)1-x mixed crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","3506","3511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537206","7.48","","4.24","","10.29","","90","","129.9","","90","","250.364","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","(K C N).9 (K Br)0.1","","- C0.9 K -","- C0.9 K -","- C3.6 K4 -","4","1","","Rowe, J.M.; Rush, J.J.; Susman, S.","Neutron powder diffraction study of phase transitions and structures of (K C N)x (K Br)1-x mixed crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","3506","3511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537209","7.45","","4.22","","10.39","","90","","129.9","","90","","250.595","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","(K C N)0.9 (K Br)0.1","","- C0.9 K -","- C0.9 K -","- C3.6 K4 -","4","1","","Rowe, J.M.; Rush, J.J.; Susman, S.","Neutron powder diffraction study of nhase transitions and structures of (K C N)x (K Br)1-x mixed crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","356","3511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537213","7.65","","4.6","","9.19","","90","","122.7","","90","","272.141","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","(K C N)0.8 (K Br)0.2","","- C0.8 K -","- C0.8 K -","- C3.2 K4 -","4","1","","Rowe, J.M.; Susman, S.; Rush, J.J.","Neutron powder diffraction study of phase transitions and structures of (K C N)x (K Br)1-x mixed crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","3506","3511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539508","18.688","","18.602","","19.217","","90","","104.19","","90","","6476.65","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","In3 (In2 Br6) Br","","- Br7 In5 -","- Br7 In5 -","- Br112 In80 -","16","4","","Staffel, T.; Meyer, G.","In5 Br7, the second mixed-valence In(I) - In(II) bromide: In(I)3 (In(II)2 Br6) Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","563","","27","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","168440","2020-10-21","18:00:00",""
"1539649","5.7056","","13.211","","7.485","","90","","96.73","","90","","560.307","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cr (S O4) (H2 O)3","","- Cr H6 O7 S -","- Cr H6 O7 S -","- Cr4 H24 O28 S4 -","4","1","","Dahmen, T.; Schmidt, G.; Glaum, R.; Gruehn, R.","Zur Darstellung und Kristallstruktur von Cr S O4 (H2 O)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","586","","141","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539820","7.455","","5.3857","","5.3885","","90","","101.83","","90","","211.755","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Ce Co C2","","- C2 Ce Co -","- C2 Ce Co -","- C8 Ce4 Co4 -","4","1","","Bodak, O.I.; Marusin, E.P.; Bruskov, V.A.","The crystal structure of compounds R Co C2 (R= Ce, La or Pr)","Soviet Physics, Crystallography (= Kristallografiya)","1980","25","","355","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539967","9.31","","17.414","","8.161","","90","","92.58","","90","","1321.76","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Mn3 (P O4)2 (H2 O)0.5","","- H Mn3 O8.5 P2 -","- H Mn3 O8.5 P2 -","- H8 Mn24 O68 P16 -","8","2","","Yakubovich, O.V.; Massa, W.; Soboleva, A.A.; Dimitrova, O.V.; Urusov, V.S.","Crystal structure of a new synthetic homologue of the switzerite series","Doklady Akad. Nauk","2003","393","","197","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540025","15.9387","0.0011","9.3158","0.0004","22.5168","0.0017","90","","94.59","0.006","90","","3332.6","0.4","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Dy N10 O10 Zn -","- C28 H29 Dy N10 O10 Zn -","- C112 H116 Dy4 N40 O40 Zn4 -","4","1","","Anastasiadis, Nikolaos C.; Polyzou, Christina D.; Kostakis, George E.; Bekiari, Vlasoula; Lan, Yanhua; Perlepes, Spyros P.; Konidaris, Konstantis F.; Powell, Annie K.","Dinuclear lanthanide(iii)/zinc(ii) complexes with methyl 2-pyridyl ketone oxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19791","19795","10.1039/c5dt03663a","","","0.71073","MoKα","","0.0193","0.0191","","","0.048","0.048","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540152","12.297","","16.267","","9.295","","90","","129.51","","90","","1434.5","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(H3 O) (Ce Ce (Se O4)4)","","- Ce2 H3 O17 Se4 -","- Ce2 O17 Se4 -","- Ce8 O68 Se16 -","4","1","","Iskhakova, L.D.; Tursina, A.I.","Crystal stucture of (H3 O) (CeIII CeIV (Se O4)4)","Kristallografiya","1989","34","","1414","1418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540186","20.1366","0.0014","18.5935","0.0012","28.856","0.002","90","","95.5214","0.0019","90","","10753.8","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C138 H112 Cu2 N4 S -","- C138 H112 Cu2 N4 S -","- C552 H448 Cu8 N16 S4 -","4","1","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0648","0.0549","","","0.134","0.14","","","","","","1.076","","","","has coordinates,has disorder","175926","2020-10-21","18:00:00",""
"1540193","12.3279","0.0005","30.1877","0.0009","26.5175","0.0011","90","","102.622","0.002","90","","9630","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C102 H132 B Mg2 N6 O2 -","- C102 H132 B Mg2 N6 O2 -","- C408 H528 B4 Mg8 N24 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.1638","0.0804","","","0.1714","0.211","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540487","8.2128","0.0013","22.725","0.004","20.504","0.004","90","","100.299","0.0019","90","","3765.1","1.2","93","","93","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C124 H204 Cl8 F24 N4 O12 P12 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0269","0.0256","","","0.0569","0.0581","","","","","","1.032","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540698","14.9242","0.0003","18.6105","0.0004","23.7155","0.0005","90","","103.461","0.002","90","","6406","0.2","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 As3 Dy3 -","- C70 H83 As3 Dy3 -","- C280 H332 As12 Dy12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.043","0.0384","","","0.0894","0.1035","","","","","","1.117","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540700","14.8845","0.0013","18.4953","0.0014","23.4214","0.0018","90","","103.098","0.008","90","","6280","0.9","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Dy","","- C70 H83 Dy3 Se3 -","- C70 H83 Dy3 Se3 -","- C280 H332 Dy12 Se12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0512","0.0401","","","0.0806","0.087","","","","","","1.021","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540701","14.9029","0.0001","18.4253","0.0001","23.423","0.0002","90","","103.035","0.001","90","","6266","0.08","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Y","","- C70 H83 Se3 Y3 -","- C70 H83 Se3 Y3 -","- C280 H332 Se12 Y12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","1.54178","CuKα","","0.0225","0.0224","","","0.0582","0.0582","","","","","","1.076","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540814","13.319","","10.344","","7.041","","90","","111.51","","90","","902.49","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cd (V O3)2 (H2 O)4","","- Cd H8 O10 V2 -","- Cd O10 V2 -","- Cd4 O40 V8 -","4","1","","Ulicka, L.","Crystal structure of Cd (V O3)2 (H2 O)4 and its comparison with the structure of Ca (V O3)2 (H2 O)4 and alpha-Cd (V O3)2","Chemical Papers","1988","42","","11","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540852","9.283","","11.874","","6.787","","90","","93.8","","90","","746.461","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","K3 Na2 (Li Te O6)","","- K3 Li Na2 O6 Te -","- K3 Li Na2 O6 Te -","- K12 Li4 Na8 O24 Te4 -","4","1","","Wisser, T.; Hoppe, R.","Das erste Quinquinaere Oxotellurate(VI): K3 Na2 Li Te O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","586","","125","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540873","12.505","","13.942","","8.883","","90","","135.1","","90","","1093.19","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- La P2 -","- La P2 -","- La16 P32 -","16","4","","von Schnering, H.G.; Wichelhaus, W.; Nahrup, M.S.","Lanthandiphosphid La P2; Darstellung, Struktur und Eigenschaften","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","412","","193","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540893","7.401","","5.358","","5.357","","90","","101.73","","90","","207.993","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Co Pr C2","","- C2 Co Pr -","- C2 Co Pr -","- C8 Co4 Pr4 -","4","1","","Schaefer, W.; Kockelmann, W.; Linhart, J.; Will, G.; Kotsanidis, P.A.; Yakinthos, J.K.","Structural and magnetic properties of R Co C2 (R = Pr, Dy, Ho) compounds studied by neutron diffraction","Journal of Magnetism and Magnetic Materials","1994","132","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541808","5.114","","8.865","","19.29","","90","","95.19","","90","","870.939","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Na Li (Al2 (Si Al)2 O10 (O H)2)","","- Al4 H2 Li Na O12 Si2 -","- Al4 Li Na O12 Si2 -","- Al16 Li4 Na4 O48 Si8 -","4","1","","Slade, P.G.; Radoslovich, E.W.","The structure of an ephesite-2M1 in spacegroup Cc","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1985","1985","","337","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541827","10.38","","16.98","","5.75","","90","","104.4","","90","","981.612","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Ca Na2 (P2 O7) (H2 O)4","","- Ca H8 Na2 O11 P2 -","- Ca H8 Na2 O11 P2 -","- Ca4 H32 Na8 O44 P8 -","4","1","","Cheng, P.T.; Nyburg, S.C.; Adams, M.E.; Pritzker, K.P.H.","beta-Calcium disodium pyrophosphate tetrahydrate, Ca Na2 P2 O7 * 4 H2 O","Crystal Structure Communications","1979","8","","313","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","198667","2020-10-21","18:00:00",""
"1541879","16.354","","16.035","","12.835","","90","","129.551","","90","","2595.23","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","(In1.97 Ge2.03 S8) (C6 H14 N2 O)","","- Ge2.052 In1.948 S8 -","- Ge2.052 In1.948 S8 -","- Ge8.208 In7.792 S32 -","4","1","","Zheng Nanfeng; Feng Pingyun; Bu Xianhui; Wang Bing","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","173438","2020-10-21","18:00:00",""
"1542065","11.77","","13.74","","6.5","","90","","94.783","","90","","1047.52","","","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","K Na (Pt (C N)4) (H2 O)3","","- C4 H6 K N4 Na O3 Pt -","- C4 K N4 Na O3 Pt -","- C16 K4 N16 Na4 O12 Pt4 -","4","1","","Moreau-Colin, M.L.","La structure cristalline du tetracyanoplatinate de potassium et sodium trihydrate","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","332","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542319","18.4394","0.0005","13.7828","0.0003","8.116","0.0002","90","","92.319","0.002","90","","2060.96","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 La N O9 -","- C21 H11 La O7 -","- C84 H44 La4 O28 -","4","1","","Gong, Yun-Nan; Ouyang, Ting; He, Chun-Ting; Lu, Tong-Bu","Photoinduced water oxidation by an organic ligand incorporated into the framework of a stable metal‒organic framework","Chem. Sci.","2016","7","2","1070","","10.1039/C5SC02679B","","","1.54178","CuKα","","0.0373","0.0356","","","0.0903","0.0917","","","","","","1.077","","","","has coordinates","175136","2020-10-21","18:00:00",""
"1542400","11.0688","0.0009","29.295","0.003","8.7573","0.0007","90","","102.609","0.001","90","","2771.2","0.4","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H38 Br2 K O U -","- C24 H38 Br2 K O U -","- C96 H152 Br8 K4 O4 U4 -","4","1","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0535","0.0483","","","0.1229","0.1308","","","","","","1.152","","","","has coordinates","175833","2020-10-21","18:00:00",""
"1542427","16.7003","0.0009","14.0892","0.0012","9.3429","0.0006","90","","96.029","0.006","90","","2186.2","0.3","101.8","","101.8","","","","","","","","","3","C 1 c 1","C -2yc","9","","2,4-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.7107","MoKα","","0.039","0.0355","","","0.0784","0.0806","","","","","","1.055","","","","has coordinates","182619","2020-10-21","18:00:00",""
"1542486","16.0067","0.0004","8.9455","0.0001","16.1617","0.0004","90","","128.853","0.004","90","","1802.17","0.12","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione","","- C21 H22 Br N O4 -","- C21 H22 Br N O4 -","- C84 H88 Br4 N4 O16 -","4","1","VM4001","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione","IUCrData","2016","1","1","x152425","","10.1107/S2414314615024256","","","1.54184","CuKα","","0.0184","0.0183","","","0.0474","0.0474","","","","","","1.056","","","","has coordinates,has disorder","177535","2020-10-21","18:00:00",""
"1542625","5.5058","0.0011","26.046","0.007","11.867","0.002","90","","97.83","0.03","90","","1685.9","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71073","MoKα","","0.0539","0.0345","","","0.0688","0.0742","","","","","","1.04","","","","has coordinates","181452","2020-10-21","18:00:00",""
"1542767","16.17","0.002","15.723","0.002","22.381","0.003","90","","98.896","0.002","90","","5621.7","1.3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H56 Cl4 Cs2 N20 O13 Zn -","- C45 H50 Cl4 Cs2 N20 O13 Zn -","- C180 H200 Cl16 Cs8 N80 O52 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.0321","0.0294","","","0.0748","0.0781","","","","","","1.069","","","","has coordinates","178171","2020-10-21","18:00:00",""
"1542770","16.032","0.003","15.689","0.003","22.294","0.004","90","","99.974","0.002","90","","5522.8","1.8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H56 Cl4 N20 O13 Rb2 Zn -","- C45 H50 Cl4 N20 O13 Rb2 Zn -","- C180 H200 Cl16 N80 O52 Rb8 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.0565","0.0432","","","0.1079","0.1158","","","","","","1.075","","","","has coordinates,has disorder","178174","2020-10-21","18:00:00",""
"1542779","24.843","0.002","12.245","0.0011","15.7202","0.0014","90","","109.498","0.0016","90","","4507.9","0.7","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0522","0.0371","","","0.0898","0.0981","","","","","","1.01","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542780","24.746","0.002","12.2117","0.001","15.6525","0.0013","90","","109.192","0.001","90","","4467.2","0.6","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0433","0.0323","","","0.0845","0.0912","","","","","","1.046","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542781","24.817","0.013","12.241","0.007","15.714","0.008","90","","109.39","0.011","90","","4503","4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0708","0.0573","","","0.1533","0.1662","","","","","","1.052","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542782","24.638","0.002","12.1718","0.001","15.5632","0.0013","90","","108.782","0.001","90","","4418.7","0.6","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0522","0.0448","","","0.1154","0.1224","","","","","","1.057","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542783","24.525","0.002","12.1433","0.0011","15.4964","0.0014","90","","108.492","0.001","90","","4376.8","0.7","95","2","95","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0419","0.0372","","","0.0966","0.1012","","","","","","1.032","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542885","31.27","0.002","5.672","0.0004","7.8812","0.0005","90","","99.271","0.003","90","","1379.58","0.16","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-Benzyloxy-1,1'-biphenyl","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Adam, Farook; Ameram, Nadiah; Kamath, Shevgoor Dhiraj; Pallavi; Samshuddin, Seranthimata","4-Benzyloxy-1,1'-biphenyl","IUCrData","2016","1","3","x160398","","10.1107/S2414314616003989","","","0.71073","MoKα","","0.0389","0.0339","","","0.0965","0.104","","","","","","0.867","","","","has coordinates,has Fobs","178212","2020-10-21","18:00:00",""
"1542984","10.2254","0.0003","26.6695","0.0009","9.921","0.0003","90","","110.718","0.001","90","","2530.56","0.14","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate","","- C28 H25 N3 O3 S -","- C28 H25 N3 O3 S -","- C112 H100 N12 O12 S4 -","4","1","XU4003","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate","IUCrData","2016","1","3","x160479","","10.1107/S241431461600479X","","","1.54178","CuKα","","0.0286","0.0278","","","0.0704","0.071","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","180636","2020-10-21","18:00:00",""
"1543247","14.5651","0.0007","22.872","0.0008","10.4529","0.0005","90","","124.37","0.003","90","","2874.2","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H35 N5 O Si -","- C34 H35 N5 O Si -","- C136 H140 N20 O4 Si4 -","4","1","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0381","0.0331","","","0.08","0.0831","","","","","","1.052","","","","has coordinates,has disorder","182552","2020-10-21","18:00:00",""
"1543289","13.8962","0.0005","24.5807","0.0016","26.1417","0.0014","90","","95.317","0.005","90","","8891","0.8","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C67 H141 K O22 S Si4 U -","- C67 H141 K O22 S Si4 U -","- C268 H564 K4 O88 S4 Si16 U4 -","4","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0941","0.0674","","","0.1322","0.1462","","","","","","1.075","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543462","12.4858","0.0006","14.0212","0.0006","9.848","0.0004","90","","98.179","0.001","90","","1706.51","0.13","183","2","183","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide","","- C8 H11 F6 N3 O6 S2 -","- C8 H11 F6 N3 O6 S2 -","- C32 H44 F24 N12 O24 S8 -","4","1","HB4048","Partl, Gabriel; Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide","IUCrData","2016","1","5","x160824","","10.1107/S2414314616008245","","","0.71073","MoKα","","0.0334","0.0326","","","0.0906","0.0915","","","","","","1.051","","","","has coordinates,has Fobs","183627","2020-10-21","18:00:00",""
"1543901","16.442","0.011","10.991","0.007","11.722","0.008","90","","108.611","0.007","90","","2008","2","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(4-methoxyphenyl)phosphine selenide","","- C21 H21 O3 P Se -","- C21 H21 O3 P Se -","- C84 H84 O12 P4 Se4 -","4","1","","Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.","Tris(4-methoxyphenyl)phosphine selenide","IUCrData","2016","1","8","x161271","","10.1107/S2414314616012712","","","0.71075","MoKα","","0.0384","0.0328","","","0.0608","0.0649","","","","","","0.915","","","","has coordinates,has Fobs","185843","2020-10-21","18:00:00",""
"1544258","9.531","0.005","17.403","0.008","15.039","0.007","90","","90.873","0.006","90","","2494","2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H39 Li O6 Si3 -","- C16 H39 Li O6 Si3 -","- C64 H156 Li4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.2205","0.0762","","","0.1172","0.1585","","","","","","0.949","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544404","24.5647","0.0002","8.4279","0.0001","16.8859","0.0001","90","","91.172","0.001","90","","3495.14","0.05","120","2","119.96","0.13","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H36 Cl F5 N4 O2 U -","- C37 H36 Cl F5 N4 O2 U -","- C148 H144 Cl4 F20 N16 O8 U4 -","4","1","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","","1.54184","CuKα","","0.0273","0.027","","","0.0677","0.068","","","","","","1.038","","","","has coordinates","196309","2020-10-21","18:00:00",""
"1544644","14.8643","0.0004","19.384","0.0003","24.2728","0.0007","90","","107.004","0.003","90","","6688","0.3","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Y","","- C70 H83 Sb4 Y3 -","- C70 H83 Sb4 Y3 -","- C280 H332 Sb16 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0693","0.0459","","","0.0773","0.0868","","","","","","1.009","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544645","14.8968","0.0003","19.3308","0.0004","24.2616","0.0005","90","","106.568","0.002","90","","6696.5","0.2","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 Dy3 Sb4 -","- C70 H83 Dy3 Sb4 -","- C280 H332 Dy12 Sb16 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0411","0.0349","","","0.0581","0.0615","","","","","","1.016","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544646","15.113","0.0002","18.7437","0.0002","24.0965","0.0003","90","","103.339","0.001","90","","6641.75","0.14","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Dy","","- C70 H83 Dy3 Sb3 -","- C70 H83 Dy3 Sb3 -","- C280 H332 Dy12 Sb12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0303","0.0282","","","0.0635","0.0648","","","","","","1.027","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544647","15.1052","0.0002","18.7715","0.0002","24.1263","0.0003","90","","103.437","0.001","90","","6653.68","0.14","150.02","0.11","150.02","0.11","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Y","","- C70 H83 Sb3 Y3 -","- C70 H83 Sb3 Y3 -","- C280 H332 Sb12 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0241","0.0213","","","0.0445","0.0455","","","","","","1.031","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544762","14.315","","8.311","","8.914","","90","","120.651","","90","","912.35","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Jain, Prashant; Stroppa, Alessandro; Nabok, Dmitrii; Marino, Antigone; Rubano, Andrea; Paparo, Domenico; Matsubara, Masakazu; Nakotte, Heinz; Fiebig, Manfred; Picozzi, Silvia; Eun Sang Choi; Anthony K Cheetham; Claudia Draxl; Naresh S Dalal; Vivien S Zapf","Switchable electric polarization and ferroelectric domains in a metal-organic-framework","npj Quantum Materials","2016","1","","16012","","10.1038/npjquantmats.2016.12","powder diffraction","","","","","","","","","","","","","4.01","","","","","","","has coordinates","189028","2020-10-21","18:00:00",""
"1544872","8.92","0.002","5.157","0.002","15.684","0.001","90","","113.61","0.03","90","","661.1","0.3","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","Al2Si2O5(OH)4","","kaolin","- Al2 H4 O9 Si2 -","- Al2 O9 Si2 -","- Al8 O36 Si8 -","4","1","","Toraya, H.; Iwai, S.; Marumo, F.","The structural investigation of a kaolin mineral by X-ray powder pattern-fitting","Mineralogical Journal","1980","10","","168","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","189390","2020-10-21","18:00:00",""
"1544929","10.6286","0.0018","25.115","0.004","10.7465","0.0018","90","","104.224","0.004","90","","2780.7","0.8","130","","130","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H25 N3 O4 S -","- C33 H25 N3 O4 S -","- C132 H100 N12 O16 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0989","0.0497","","","0.1119","0.1429","","","","","","0.807","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544965","17.3672","0.0009","12.098","0.0006","10.2133","0.0006","90","","97.836","0.003","90","","2125.9","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H12 Cl7 F6 S2 Sb -","- C8 H12 Cl7 F6 S2 Sb -","- C32 H48 Cl28 F24 S8 Sb4 -","4","1","","Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.","Alkyldisulfanium Salts: Isolable, Electrophilic Sulfur Reagents Competent for Polyene Cyclizations.","Organic letters","2017","19","1","2","5","10.1021/acs.orglett.6b02059","","","0.7749","synchrotron","","0.0418","0.0349","","","0.0694","0.0723","","","","","","1.028","","","","has coordinates","191409","2020-10-21","18:00:00",""
"1545043","14.7725","0.0005","9.3588","0.0003","9.8079","0.0003","90","","116.308","0.0014","90","","1215.53","0.07","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","4-[Bis(2-chloroethyl)amino]benzaldehyde","","","- C11 H13 Cl2 N O -","- C11 H13 Cl2 N O -","- C44 H52 Cl8 N4 O4 -","4","1","SU4089","Seethalakshmi, P.; Palanivel, C.","4-[Bis(2-chloroethyl)amino]benzaldehyde","IUCrData","2017","2","1","x162043","","10.1107/S2414314616020435","","","0.71073","MoKα","","0.0402","0.0378","","","0.0999","0.1025","","","","","","1.023","","","","has coordinates,has Fobs","190499","2020-10-21","18:00:00",""
"1545098","15.2642","0.0008","15.1883","0.0009","6.0321","0.0007","90","","96.7418","0.0016","90","","1388.8","0.2","300","","300","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C17 H14 S2 -","- C17 H14 S2 -","- C68 H56 S8 -","4","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.03","0.0268","","","0.0655","0.0669","","","","","","1.015","","","","has coordinates","193408","2020-10-21","18:00:00",""
"1545127","13.1824","0.0002","15.15072","0.00019","8.32489","0.00011","90","","98.5002","0.0013","90","","1644.41","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0275","0.0273","","","0.0712","0.0715","","","","","","1.062","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545653","22.5655","0.0003","10.9863","0.0002","9.7189","0.0001","90","","98.569","0.002","90","","2382.53","0.06","","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Al15 La3 O37 Ti5 -","- Al15 La3 O37 Ti5 -","- Al60 La12 O148 Ti20 -","4","1","","Russell E. Morris; Jonathan J. Owen; Judith K. Stalick; Anthony K. Cheetham","Determination of Complex Structures from Powder Diffraction Data: The Crystal Structure of La3Ti5Al15O37","Journal of Solid State Chemistry","1994","111","","52","57","10.1006/jssc.1994.1198","powder diffraction","x-ray","1","synchrotron","","","","","","","","0.0669","","","","","","","","","has coordinates","194539","2020-10-21","18:00:00",""
"1545691","10.302","0.002","19.2","0.004","25.761","0.005","90","","93.99","0.03","90","","5083.1","1.8","173.15","","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C65 H50 Br2 N2 Ni -","- C65 H50 Br2 N2 Ni -","- C260 H200 Br8 N8 Ni4 -","4","1","","Wang, Xinxin; Fan, Linlin; Ma, Yanping; Guo, Cunyue; Solan, Gregory; Sun, Yang; Sun, Wen Hua","Elastomeric polyethylenes accessible via ethylene homo-polymerization using an unsymmetrical α-diimino-nickel catalyst","Polym. Chem.","2017","","","","","10.1039/C7PY00434F","","","0.71073","MoKα","","0.0875","0.0778","","","0.2153","0.2374","","","","","","1.062","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545737","20.7273","0.0014","11.4948","0.0008","21.957","0.002","90","","112.429","0.003","90","","4835.7","0.7","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H63 F3 Fe3 N6 -","- C45 H63 F3 Fe3 N6 -","- C180 H252 F12 Fe12 N24 -","4","1","","Anderton, Kevin J.; Knight, Brian J.; Rheingold, Arnold L.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of hydride bridges in a high-spin [Fe3(μ-H)3]3+ cluster: reversible H2/CO exchange and Fe‒H/B‒F bond metathesis","Chem. Sci.","2017","","","","","10.1039/C6SC05583D","","x-ray","0.71073","MoKα","","0.0421","0.0356","","","0.0899","0.0932","","","","","","1.012","","","","has coordinates","195336","2020-10-21","18:00:00",""
"1545758","13.7789","0.0019","14.858","0.002","22.728","0.003","90","","98.14","0.002","90","","4606.2","1.1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20.5 Cl2.5 N O2 -","- C25 H20.5 Cl2.5 N O2 -","- C200 H164 Cl20 N8 O16 -","8","2","","Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether.","Organic letters","2017","19","9","2262","2265","10.1021/acs.orglett.7b00769","","","0.71073","MoKα","","0.0938","0.0679","","","0.1974","0.2268","","","","","","0.981","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545935","26.0091","0.0005","6.2157","0.0001","15.4618","0.0002","90","","123.549","0.001","90","","2083.22","0.06","175","2","175","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C84 H88 N8 O24 S4 -","4","1","","Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael","Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide.","Organic letters","2017","19","8","2058","2061","10.1021/acs.orglett.7b00653","","x-ray","1.54178","CuKα","","0.0297","0.0289","","","0.0811","0.0819","","","","","","1.066","","","","has coordinates","196069","2020-10-21","18:00:00",""
"1546112","33.1101","0.0012","8.5492","0.0003","16.653","0.0006","90","","99.906","0.003","90","","4643.6","0.3","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H24 N4 O2 -","- C27 H15.5 N4 O2 -","- C216 H124 N32 O16 -","8","2","","Basu Roy, Sohini; Prodhan, Chandraday; Chaudhuri, Keya; Rajak, Kajal Krishna","A benzimidazole-based chemodosimeter for the fluorometric detection of Zn and Cu via 1,5 proton shifts and C‒N bond cleavage","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00059F","","","0.71073","MoKα","","0.1065","0.0895","","","0.2428","0.2664","","","","","","1.065","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546602","24.743","0.009","9.58","0.004","7.166","0.003","90","","100.81","0.008","90","","1668.5","1.2","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0951","0.0558","","","0.116","0.1529","","","","","","1.103","","","","has coordinates","199593","2020-10-21","18:00:00",""
"1546702","47.514","0.008","7.1015","0.0011","6.1289","0.001","90","","96.037","0.009","90","","2056.5","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C104 H88 N16 O8 -","4","1","SU4134","Faizi, Md. Serajul Haque; Dege, Necmi; Goleva, Kateryna","2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol","IUCrData","2017","2","4","x170548","","10.1107/S241431461700548X","","","0.71073","MoKα","","0.0722","0.0426","","","0.0821","0.0919","","","","","","1.005","","","","has coordinates,has Fobs","199298","2020-10-21","18:00:00",""
"1546747","16.4374","0.0009","6.2657","0.0002","12.5689","0.0006","90","","120.523","0.007","90","","1115.11","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","","- C13 H9 B F3 N O -","- C13 H9 B F3 N O -","- C52 H36 B4 F12 N4 O4 -","4","1","BT4059","Dziuk, Błażej; Ośmiałowski, Borys; Zakrzewska, Anna; Ejsmont, Krzysztof; Zarychta, Bartosz","2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide","IUCrData","2017","2","8","x171109","","10.1107/S2414314617011099","","","0.71073","MoKα","","0.029","0.027","","","0.0673","0.0681","","","","","","1.014","","","","has coordinates,has Fobs","199461","2020-10-21","18:00:00",""
"1546820","16.7237","0.0002","22.9833","0.0002","19.4485","0.0002","90","","107.484","0.001","90","","7129.98","0.13","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H22 F3 Fe I4 N4 O2 -","- C38 H22 F3 Fe I4 N4 O2 -","- C304 H176 F24 Fe8 I32 N32 O16 -","8","2","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","x-ray","0.71073","MoKα","","0.0502","0.033","","","0.0407","0.0452","","","","","","0.946","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546900","13.6317","0.0008","11.9518","0.0008","19.7278","0.0013","90","","101.21","0.002","90","","3152.8","0.3","123","2","123","2","","","","","","","","8","C 1 c 1","C -2yc","9","","4,4,5-tri-tert-butyl-1,2,2-triphenyl-3,4-dihydro-2H-1λ^4^,4,2λ^4^-azaphosphaborol-4-ium trifluoromethanesulfonate","","- C33 H44 B F3 N O3 P S -","- C33 H44 B F3 N O3 P S -","- C132 H176 B4 F12 N4 O12 P4 S4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0283","0.0272","","","0.0674","0.0682","","","","","","1.058","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546906","11.4364","0.0004","14.5007","0.0005","14.8879","0.0006","90","","93.698","0.002","90","","2463.81","0.16","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H39 B N P -","- C26 H39 B N P -","- C104 H156 B4 N4 P4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0501","0.044","","","0.1205","0.1258","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547015","13.878","0.004","19.159","0.005","7.189","0.002","90","","104.662","0.009","90","","1849.2","0.9","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H18 O4 S2 -","- C22 H18 O4 S2 -","- C88 H72 O16 S8 -","4","1","","Kawashima, Hitomi; Yanagi, Tomoyuki; Wu, Chien-Chi; Nogi, Keisuke; Yorimitsu, Hideki","Regioselective C-H Sulfanylation of Aryl Sulfoxides by Means of Pummerer-Type Activation.","Organic letters","2017","19","17","4552","4555","10.1021/acs.orglett.7b02147","","","1.54187","CuKα","","0.0289","0.0246","","","0.0584","0.0595","","","","","","1.004","","","","has coordinates","200524","2020-10-21","18:00:00",""
"1547141","21.6523","0.0007","12.031","0.0004","22.3972","0.0007","90","","117.882","0.0013","90","","5157.1","0.3","153","2","153","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H59 B2 Cl4 F3 N4 O3 S -","- C52.999 H59 B2 Cl4 F2.997 N4 O2.997 S0.999 -","- C211.996 H236 B8 Cl16 F11.988 N16 O11.988 S3.996 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.0959","0.0628","","","0.1553","0.1798","","","","","","1.019","","","","has coordinates,has disorder","200809","2020-10-21","18:00:00",""
"1547142","21.931","0.003","12.2382","0.0017","14.94","0.002","90","","108.564","0.004","90","","3801.2","0.9","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H49 B N4 -","- C44 H49 B N4 -","- C176 H196 B4 N16 -","4","1","","Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Crystalline Boron-linked Tetraaminoethylene Radical Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03528D","","","0.71073","MoKα","","0.1009","0.0601","","","0.1148","0.1323","","","","","","1.009","","","","has coordinates","200809","2020-10-21","18:00:00",""
"1547214","10.2066","0.0006","28.2758","0.0011","4.7187","0.0003","90","","111.293","0.006","90","","1268.85","0.13","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H11 F N6 O7 -","- C8 H11 F N6 O7 -","- C32 H44 F4 N24 O28 -","4","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.068","0.067","","","0.1533","0.1535","","","","","","1.473","","","","has coordinates","200979","2020-10-21","18:00:00",""
"1547216","15.6924","0.0002","16.072","0.0002","11.3076","0.0001","90","","121.385","0.001","90","","2434.6","0.05","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H24 Cl2 Co N8 O8 -","- C16 H24 Cl2 Co N8 O8 -","- C64 H96 Cl8 Co4 N32 O32 -","4","1","","Usov, Pavel M.; Simonov, Alexandr N.; Bond, Alan M.; Murphy, Michael J.; D'Alessandro, Deanna M","Untangling Complex Redox Chemistry in Zeolitic Imidazolate Frameworks Using Fourier Transformed Alternating Current Voltammetry.","Analytical chemistry","2017","89","19","10181","10187","10.1021/acs.analchem.7b01224","","","1.54184","CuKα","","0.0363","0.0354","","","0.0883","0.0889","","","","","","1.055","","","","has coordinates,has disorder","201743","2020-10-21","18:00:00",""
"1547217","15.6929","0.0003","16.0879","0.0004","11.3047","0.0002","90","","121.482","0.003","90","","2433.95","0.12","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H24 Cl2 N8 O8 Zn -","- C16 H24 Cl2 N8 O8 Zn -","- C64 H96 Cl8 N32 O32 Zn4 -","4","1","","Usov, Pavel M.; Simonov, Alexandr N.; Bond, Alan M.; Murphy, Michael J.; D'Alessandro, Deanna M","Untangling Complex Redox Chemistry in Zeolitic Imidazolate Frameworks Using Fourier Transformed Alternating Current Voltammetry.","Analytical chemistry","2017","89","19","10181","10187","10.1021/acs.analchem.7b01224","","","1.54178","CuKα","","0.0547","0.0544","","","0.1295","0.1298","","","","","","1.085","","","","has coordinates,has disorder","201743","2020-10-21","18:00:00",""
"1547254","16.452","0.0009","12.0683","0.0007","16.298","0.0009","90","","103.064","0.001","90","","3152.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C112 H128 F48 N16 P8 -","4","1","","Rosenani A Haque; Muhammad Adnan Iqbal; Mohamed B Khadeer Ahamed; AMS Abdul Majid; Zena A Abdul Hameed","Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: potential anticancer agents against human colon cancer","Chemistry Central Journal","2012","6","","68","","10.1186/1752-153X-6-68","","","0.71073","MoKα","","0.0546","0.0424","","","0.1187","0.1293","","","","","","1.029","","","","has coordinates,has disorder","201073","2020-10-21","18:00:00",""
"1547266","13.791","0.003","21.838","0.004","14.457","0.003","90","","107.005","0.005","90","","4163.6","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H11 Cl3 N2 Zn -","- C11 H11 Cl3 N2 Zn -","- C132 H132 Cl36 N24 Zn12 -","12","3","","Xing, Xiu-Shuang; Sa, Rongjian; Li, Pei-Xin; Zhang, Ning-Ning; Zhou, Zhong-Yuan; Liu, Bin-Wen; Liu, Jie; Wang, Ming-Sheng; Guo, Guo-Cong","Second-order nonlinear optical switch with the record-high contrast for a photochromic and thermochromic bistable crystal","Chem. Sci.","2017","","","","","10.1039/C7SC01228D","","","0.71073","MoKα","","0.0507","0.0388","","","0.1127","0.141","","","","","","0.984","","","","has coordinates","201093","2020-10-21","18:00:00",""
"1547323","17.434","0.019","13.149","0.012","13.184","0.014","90","","123.634","0.01","90","","2516","4","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0458","0.0392","","","0.1007","0.1078","","","","","","1.101","","","","has coordinates,has disorder","201237","2020-10-21","18:00:00",""
"1547324","17.58","0.019","13.218","0.013","13.269","0.015","90","","123.34","0.013","90","","2576","5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.058","0.0509","","","0.1251","0.1337","","","","","","1.067","","","","has coordinates,has disorder","201238","2020-10-21","18:00:00",""
"1547326","17.515","0.02","13.237","0.012","13.262","0.015","90","","123.415","0.013","90","","2566","5","243","2","243","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0704","0.0536","","","0.1277","0.1438","","","","","","1.004","","","","has coordinates,has disorder","201240","2020-10-21","18:00:00",""
"1547328","17.582","0.008","13.248","0.008","13.324","0.005","90","","123.38","0.04","90","","2592","2","333","2","333","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0455","0.0391","","","0.0908","0.0955","","","","","","1.046","","","","has coordinates,has disorder","201242","2020-10-21","18:00:00",""
"1547329","17.723","0.009","12.711","0.006","13.471","0.007","90","","123.186","0.008","90","","2540","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.047","0.0433","","","0.0907","0.0936","","","","","","1.051","","","","has coordinates","201243","2020-10-21","18:00:00",""
"1547331","17.551","0.018","13.247","0.011","13.266","0.013","90","","123.367","0.012","90","","2576","4","253","2","253","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0622","0.05","","","0.126","0.1377","","","","","","1.05","","","","has coordinates,has disorder","201245","2020-10-21","18:00:00",""
"1547332","17.551","0.006","13.239","0.006","13.305","0.005","90","","123.3","0.03","90","","2584","2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H16 Cu0.67 N2.67 O4 Se0.67 -","- C18 H16 Cu0.666667 N2.66667 O4 Se0.666667 -","- C108 H96 Cu4 N16 O24 Se4 -","6","1.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0554","0.0465","","","0.1181","0.1264","","","","","","1.025","","","","has coordinates,has disorder","201246","2020-10-21","18:00:00",""
"1547333","10.2889","0.0009","20.9035","0.0018","18.3345","0.0017","90","","102.106","0.002","90","","3855.6","0.6","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H36 Ni O4 P2 S -","- C46 H36 Ni O4 P2 S -","- C184 H144 Ni4 O16 P8 S4 -","4","1","","Yang, Bangpei; Xiong, Shuoyan; Chen, Changle","Manipulation of Polymer Branching Density in Phosphine-Sulfonate Palladium and Nickel Catalyzed Ethylene Polymerization","Polym. Chem.","2017","","","","","10.1039/C7PY01281K","","","0.71073","MoKα","","0.07","0.0539","","","0.1368","0.1457","","","","","","1.046","","","","has coordinates","201252","2020-10-21","18:00:00",""
"1547737","12.1961","0.0013","9.8018","0.0011","19.978","0.002","90","","97.063","0.011","90","","2370.1","0.4","293","2","293.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H31 N O4 -","- C27 H31 N O4 -","- C108 H124 N4 O16 -","4","1","","Wang, Chengfeng; Lu, Zhan","Intermolecular [2 + 2] Cycloaddition of 1,4-Dihydropyridines with Olefins via Energy Transfer.","Organic letters","2017","19","21","5888","5891","10.1021/acs.orglett.7b02881","","","0.71073","MoKα","","0.0809","0.0611","","","0.133","0.1479","","","","","","1.073","","","","has coordinates","202854","2020-10-21","18:00:00",""
"1547888","6.5268","0.0017","11.251","0.003","9.814","0.003","90","","105.271","0.007","90","","695.2","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum borate chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0111","0.0111","","","0.0286","0.0286","","","","","","1.037","","","","has coordinates","202892","2020-10-21","18:00:00",""
"1548127","13.726","0.003","15.964","0.003","7.7194","0.0015","90","","111.03","0.03","90","","1578.8","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0367","0.036","","","0.0872","0.0878","","","","","","1.041","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548185","14.8907","0.0006","18.6253","0.0008","23.5996","0.0009","90","","103.258","0.004","90","","6370.8","0.5","150.06","0.14","150.06","0.14","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C70 H83 Dy3 P3 -","- C70 H83 Dy3 P3 -","- C280 H332 Dy12 P12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.066","0.057","","","0.1221","0.1307","","","","","","1.063","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1548508","15.7878","0.0014","39.138","0.004","21.1625","0.0017","90","","111.148","0.002","90","","12195.7","1.9","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C131 H127 Ag3 B3 F12 O5 P6 -","- C131 H127 Ag3 B3 F12 O5 P6 -","- C524 H508 Ag12 B12 F48 O20 P24 -","4","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.1134","0.066","","","0.1513","0.1727","","","","","","0.966","","","","has coordinates,has disorder","204410","2020-10-21","18:00:00",""
"1548640","11.2603","0.0006","22.9235","0.0012","16.1864","0.0009","90","","103.878","0.0011","90","","4056.2","0.4","100","0.5","100","0.5","","","","","","","","5","C 1 c 1","C -2yc","9","neism35","","","- C33 H46 Fe N2 O4 -","- C33 H46 Fe N2 O4 -","- C132 H184 Fe4 N8 O16 -","4","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0481","0.0341","","","0.0753","0.0808","","","","","","0.981","","","","has coordinates","228785","2020-10-21","18:00:00",""
"1548898","12.8115","0.0016","24.0973","0.0019","8.7902","0.001","90","","96.927","0.005","90","","2693.9","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H28 Co F6 N4 O8 S2 -","- C19 H28 Co F6 N4 O8 S2 -","- C76 H112 Co4 F24 N16 O32 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.028","0.0259","","","0.0595","0.0605","","","","","","1.034","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1549118","17.1652","0.0015","8.5185","0.0013","16.935","0.002","90","","96.803","0.01","90","","2458.8","0.5","240","0.14","240","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C72 H120 F20 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0769","0.0559","","","0.1623","0.1825","","","","","","1.077","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549402","34.531","0.003","7.371","0.0007","11.7082","0.0009","90","","100.238","0.009","90","","2932.6","0.4","100","1","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","2","","Louis, Marine; Guillot, Régis; Métivier, Rémi; Allain, Clémence","β-Diketone derivatives: influence of the chelating group on the photophysical and mechanofluorochromic properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","6","822","828","10.1039/c8pp00070k","","","0.71073","MoKα","","0.0755","0.0619","","","0.1463","0.1523","","","","","","1.071","","","","has coordinates","230895","2020-10-21","18:00:00",""
"1549432","10.26054","0.00014","38.4104","0.0006","8.64061","0.00013","90","","100.552","0.0014","90","","3347.78","0.09","150","2","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H29 B11 Br6 Cl2 Si -","- C19 H29 B11 Br6 Cl2 Si -","- C76 H116 B44 Br24 Cl8 Si4 -","4","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0525","0.0517","","","0.1337","0.1345","","","","","","1.098","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549473","21.407","0.003","13.6932","0.0018","23.988","0.003","90","","92.4764","0.0014","90","","7025","1.6","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C79 H83 B2 Cl4 K N O6 -","- C79 H83 B2 Cl4 K N O6 -","- C316 H332 B8 Cl16 K4 N4 O24 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0538","0.0452","","","0.1119","0.1181","","","","","","1.023","","","","has coordinates,has disorder","228624","2020-10-21","18:00:00",""
"1549498","23.584","0.004","6.0025","0.0007","21.526","0.003","90","","102.573","0.014","90","","2974.2","0.8","272","4","272","4","","","","","","","","5","C 1 c 1","C -2yc","9","","ONdP(GC)","","- C37 H28 N O P -","- C37 H28 N O P -","- C148 H112 N4 O4 P4 -","4","1","","Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.","Chemical science","2018","9","26","5787","5794","10.1039/c8sc01703d","","x-ray","1.54184","CuKα","","0.0966","0.0872","","","0.2447","0.2916","","","","","","1.372","","","","has coordinates,has disorder","228707","2020-10-21","18:00:00",""
"1549753","13.1028","0.0012","29.39","0.003","14.129","0.0012","90","","99.674","0.004","90","","5363.6","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H8 Ag Al2 F59 O6 -","- C36 H8 Ag1.0019 Al2 F59 O6 -","- C144 H32 Ag4.0076 Al8 F236 O24 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0782","0.0633","","","0.1652","0.1793","","","","","","0.994","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549878","5.7565","0.0005","25.735","0.002","26.34","0.002","90","","91.02","0.002","90","","3901.5","0.5","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H32 Cl6 N6 -","- C44 H32 Cl6 N6 -","- C176 H128 Cl24 N24 -","4","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.1361","0.0911","","","0.2388","0.2893","","","","","","1.06","","","","has coordinates","228703","2020-10-21","18:00:00",""
"1549915","33.2202","0.0013","13.2404","0.0005","15.202","0.0005","90","","113.392","0.001","90","","6137","0.4","120","2","120.03","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0933","0.0438","","","0.0809","0.1038","","","","","","1.09","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549916","33.4492","0.0011","13.0989","0.0005","16.2467","0.0006","90","","112.538","0.003","90","","6574.8","0.4","280","1","280","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.1592","0.0679","","","0.0766","0.1098","","","","","","0.97","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549917","33.557","0.006","13.117","0.002","16.174","0.002","90","","112.407","0.005","90","","6581.8","1.8","280","2","280.02","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.098","0.0404","","","0.0716","0.0873","","","","","","0.996","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549918","33.219","0.003","12.9438","0.001","16.3125","0.0013","90","","111.934","0.003","90","","6506.3","0.9","120","2","119.94","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0877","0.0738","","","0.1969","0.209","","","","","","1.053","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549937","26.95","0.002","11.628","0.0008","21.3978","0.0016","90","","90.293","0.004","90","","6705.4","0.8","106","","106","","","","","","","","see text","8","C 1 c 1","C -2yc","9","","","","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C168 H236 Cu16 F96 N68 O16 P16 S16 -","4","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0666","0.0577","","","0.1459","0.1539","","","","","","1.044","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549962","24.7983","0.0002","10.6757","0.0001","12.3066","0.0001","90","","101.737","0.001","90","","3189.92","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H24 N4 O8 -","- C34 H24 N4 O8 -","- C136 H96 N16 O32 -","4","1","","Schierl, Christoph; Niazov-Elkan, Angelica; Shimon, Linda J. W.; Feldman, Yishay; Rybtchinski, Boris; Guldi, Dirk M.","Singlet fission in self-assembled PDI nanocrystals.","Nanoscale","2018","10","43","20147","20154","10.1039/c8nr04155e","","","1.54184","CuKα","","0.0835","0.0813","","","0.2421","0.2455","","","","","","1.075","","","","has coordinates,has disorder","230149","2020-10-21","18:00:00",""
"1550054","21.013","0.005","23.356","0.006","15.4","0.003","90","","132.546","0.006","90","","5568","2","100","","100.37","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H92 N2 O6 V -","- C54 H92 N2 O6 V -","- C216 H368 N8 O24 V4 -","4","1","","Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph","Counterion Influence on Dynamic Spin Properties in a V(IV) Complex","Chemical Science","2019","","","","","10.1039/C8SC04122A","","x-ray","0.71073","MoKα","","0.0848","0.0696","","","0.1624","0.1717","","","","","","1.15","","","","has coordinates,has disorder","211531","2020-10-21","18:00:00",""
"1550068","16.25392","0.00013","38.80173","0.00018","16.36512","0.00011","90","","119.106","0.001","90","","9017.85","0.14","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C87 H127 Co Gd N4 O9 P3 Si2 -","- C87.0084 H127.021 Co Gd N4 O9.0063 P3.0021 Si2 -","- C348.034 H508.084 Co4 Gd4 N16 O36.0252 P12.0084 Si8 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0191","0.0191","","","0.0477","0.0477","","","","","","1.086","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550170","23.729","0.003","22.495","0.003","36.442","0.005","90","","90.573","0.004","90","","19451","4","100","","100","","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C680 H716 B8 Cu16 F196 Zn40 -","8","2","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.1143","0.0663","","","0.1475","0.1685","","","","","","1.024","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550215","20.919","0.002","28.234","0.003","24.42","0.003","90","","114.237","0.002","90","","13152","2","100","0.5","100","0.5","","","","","","","","5","C 1 c 1","C -2yc","9","holma06","bis(diketiminate-cobalt(II))(mu-carbonato)","","- C71 H106 Co2 N4 O3 -","- C71 H106 Co2 N4 O3 -","- C568 H848 Co16 N32 O24 -","8","2","","Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L.","Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate","Chemical Science","2019","","","","","10.1039/C8SC02599A","","","0.71073","MoKα","","0.1182","0.0603","","","0.1053","0.126","","","","","","0.973","","","","has coordinates,has disorder","211874","2020-10-21","18:00:00",""
"1550293","11.964","0.013","20.02","0.02","7.423","0.011","90","","90.11","0.04","90","","1778","4","113","","113","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H17 Br N2 Ni O -","- C20 H17 Br N2 Ni O -","- C80 H68 Br4 N8 Ni4 O4 -","4","1","","Ueda, Yohei; Tsujimoto, Nagataka; Yurino, Taiga; Tsurugi, Hayato; Mashima, Kazushi","Nickel-catalyzed Cyanation of Aryl Halides and Triflates Using Acetonitrile via the C—CN Bond Cleavage Assisted by 1,4-Bis(trimethylsilyl)-2,3,5,6-tetramethyl-1,4-dihydropyrazine","Chemical Science","2019","","","","","10.1039/C8SC04437F","","","0.71075","MoKα","","0.1249","0.0728","","","0.162","0.1807","","","","","","0.921","","","","has coordinates","212185","2020-10-21","18:00:00",""
"1550298","22.13","0.04","17.76","0.03","19.24","0.03","90","","106.15","0.06","90","","7263","2","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47.5 H40.5 B Cl N2 -","- C47.5 H40.5 B Cl N2 -","- C380 H324 B8 Cl8 N16 -","8","2","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.2104","0.1236","","","0.3025","0.3516","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550471","19.582","0.006","8.479","0.002","21.301","0.008","90","","93.33","0.02","90","","3530.8","1.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H58 Al2 Br2 -","- C34 H58 Al2 Br2 -","- C136 H232 Al8 Br8 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0428","0.037","","","0.1147","0.1182","","","","","","1.186","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550515","30.4118","0.0004","29.4289","0.0002","28.8188","0.0003","90","","112.875","0.001","90","","23764","0.5","123","0.3","123","0.3","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C130.61 H192.4 As5 Cl19.27 Cr2 Cu13.35 Fe11 N3.83 P55 -","- C130.61 H192.395 As5 Cl19.27 Cr2 Cu13.35 Fe11 N3.825 P55 -","- C522.44 H769.58 As20 Cl77.08 Cr8 Cu53.4 Fe44 N15.3 P220 -","4","1","","Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred","From Nano-Balls to Nano-Bowls","Chemical Science","2019","","","","","10.1039/C8SC05471A","","x-ray","1.54178","CuKα","","0.0642","0.0562","","","0.1412","0.1445","","","","","","1.009","","","","has coordinates,has disorder","213266","2020-10-21","18:00:00",""
"1550516","27.08802","0.00013","33.62013","0.00012","25.36593","0.00011","90","","103.351","0.0005","90","","22476.5","0.17","80","2","80","2","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C125.2 H184.5 As5 Br14.55 Cl6.8 Cr2 Cu14.55 Fe11 N0.9 P55 -","- C125.2 H184.5 As5 Br14.55 Cl6.8 Cr2 Cu14.55 Fe11 N0.9 P55 -","- C500.8 H738 As20 Br58.2 Cl27.2 Cr8 Cu58.2 Fe44 N3.6 P220 -","4","1","","Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred","From Nano-Balls to Nano-Bowls","Chemical Science","2019","","","","","10.1039/C8SC05471A","","x-ray","0.6199","synchrotron","","0.0483","0.0395","","","0.1057","0.1076","","","","","","0.982","","","","has coordinates,has disorder","213266","2020-10-21","18:00:00",""
"1550548","19.9645","0.0007","11.2773","0.0004","22.9784","0.0008","90","","93.089","0.003","90","","5166","0.3","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C59 H76 Mg2 N4 -","- C59 H76 Mg2 N4 -","- C236 H304 Mg8 N16 -","4","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.1031","0.0921","","","0.2567","0.2705","","","","","","1.047","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550554","14.8102","0.0004","18.9756","0.0004","31.5018","0.0009","90","","98.531","0.002","90","","8755.1","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C103 H120 N2 Si2 Zn2 -","- C103 H120 N2 Si2 Zn2 -","- C412 H480 N8 Si8 Zn8 -","4","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0634","0.046","","","0.0852","0.0917","","","","","","1.02","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550630","16.3801","0.0006","15.2273","0.0006","22.2072","0.0009","90","","92.0316","0.0014","90","","5535.5","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H99 Fe N13 O5 -","- C44 H99 Fe N13 O5 -","- C176 H396 Fe4 N52 O20 -","4","1","","McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle","Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range","Chemical Science","2019","","","","","10.1039/C8SC04972F","","","0.71073","MoKα","","0.0767","0.0621","","","0.1517","0.1605","","","","","","1.041","","","","has coordinates,has disorder","213771","2020-10-21","18:00:00",""
"1550839","21.0138","0.0012","10.9924","0.0007","26.662","0.0016","90","","97.694","0.005","90","","6103.3","0.6","128","2","128.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H42 N4 O3 -","- C34 H42 N4 O3 -","- C272 H336 N32 O24 -","8","2","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","","0.71073","MoKα","","0.0857","0.0799","","","0.1927","0.1963","","","","","","1.132","","","","has coordinates,has disorder","214492","2020-10-21","18:00:00",""
"1550871","13.2521","0.0009","13.1173","0.0008","31.732","0.002","90","","93.841","0.003","90","","5503.6","0.6","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H40 N2 Ni O P2 -","- C26 H40 N2 Ni O P2 -","- C208 H320 N16 Ni8 O8 P16 -","8","2","","Gwak, Jinseong; Ahn, Seihwan; Baik, Mu-Hyun; Lee, Yunho","One metal is enough: A nickel complex reduces nitrate anions to nitrogen gas","Chemical Science","2019","","","","","10.1039/C9SC00717B","","","0.71073","MoKα","","0.0511","0.0484","","","0.116","0.1178","","","","","","1.023","","","","has coordinates","214572","2020-10-21","18:00:00",""
"1550976","14.7395","0.0008","31.7053","0.0018","22.0966","0.0013","90","","90.451","0.002","90","","10325.9","1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C89.49 H132.99 B4 Cl6.99 Fe2 N14 -","- C89.493 H132.986 B4 Cl6.986 Fe2 N14 -","- C357.972 H531.944 B16 Cl27.944 Fe8 N56 -","4","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0697","0.0627","","","0.1346","0.14","","","","","","1.125","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1551003","19.2846","0.0013","12.6737","0.0009","26.2797","0.0018","90","","102.879","0.001","90","","6261.4","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[TEA][tBudmxFe2(OH)Cl2]","","- C65 H91 Cl2 Fe2 N5 O4 -","- C65 H93 Cl2 Fe2 N5 O4 -","- C260 H372 Cl8 Fe8 N20 O16 -","4","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0612","0.045","","","0.0895","0.0956","","","","","","1.018","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551156","18.6101","0.0002","15.4868","0.0002","17.9575","0.0002","90","","103.065","0.01","90","","5041.6","0.2","291.55","0.1","291.55","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H75 B Mg N4 O2 -","- C54 H75 B Mg N4 O2 -","- C216 H300 B4 Mg4 N16 O8 -","4","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.1013","0.1056","","","","","","1.04","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551417","42.114","0.003","54.516","0.003","14.0878","0.0009","90","","107.763","0.004","90","","30802","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C768 H600 F96 Fe24 N144 O48 P16 S24 -","4","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.2051","0.1411","","","0.3353","0.3902","","","","","","1.231","","","","has coordinates","215955","2020-10-21","18:00:00",""
"1551497","23.0082","0.0011","18.241","0.0009","18.4271","0.0009","90","","127.241","0.002","90","","6156.8","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69 H11 B F41 N4 P -","- C69 H11 B F41 N4 P -","- C276 H44 B4 F164 N16 P4 -","4","1","","Gilhula, James Connor; Radosevich, Alexander","Tetragonal Phosphorus(V) Cations As Tunable and Robust Catalytic Lewis Acids","Chemical Science","2019","","","","","10.1039/C9SC02463H","","","0.71073","MoKα","","0.0499","0.0384","","","0.0901","0.0978","","","","","","1.026","","","","has coordinates","216087","2020-10-21","18:00:00",""
"1551536","15.569","0.001","23.826","0.0008","24.821","0.002","90","","95.346","0.0003","90","","9167.2","1","108","","108","","","","","","","","","7","C 1 c 1","C -2yc","9","[LFe2(PhCO2)(MeCN)](BF4)2_2MeCN_3EtOH","","","- C96 H101 B2 F8 Fe2 N13 O6 -","- C96 H101 B2 F8 Fe2 N13 O6 -","- C384 H404 B8 F32 Fe8 N52 O24 -","4","1","","YASUDA, Yuichi; FURUTACHI, Hideki; HAYASHI, Yosuke; ISHIZAKI, Kana; FUJINAMI, Shuhei; AKINE, Shigehisa; SUZUKI, Masatatsu; NAGATOMO, Shigenori; KITAGAWA, Teizo","Crystal Structure of μ-Phenoxo-μ-benzoate-bridged Dinuclear Fe(II) Complex with a Dinucleating Ligand Having a Sterically Bulky Imidazolyl Group","X-ray Structure Analysis Online","2019","35","0","11","","10.2116/xraystruct.35.11","","","0.71073","MoKα","","0.0367","0.0336","","","0.0825","0.085","","","","","","1.029","","","","has coordinates,has disorder","216146","2020-10-21","18:00:00",""
"1551588","18.157","0.002","13.1691","0.0017","18.88","0.003","90","","110.483","0.002","90","","4229","1","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H56 N4 Ni2 O11 -","- C43 H55 N4 Ni2 O11 -","- C172 H220 N16 Ni8 O44 -","4","1","","LIM, Jongwan; SHIN, Yunseok; RYU, Sanghoon; MITSUHASHI, Ryoji; OMOTE, Masataka; SAKIYAMA, Hiroshi; MIKURIYA, Masahiro","Ferromagnetic Dinuclear Nickel(II) Complex with a Schiff-base Having a Di-μ-phenolato-μ-methanol-bridged Core","X-ray Structure Analysis Online","2017","33","0","21","","10.2116/xraystruct.33.21","","","0.71073","MoKα","","0.0663","0.0532","","","0.1342","0.1455","","","","","","0.926","","","","has coordinates","216198","2020-10-21","18:00:00",""
"1551625","24.986","0.004","23.548","0.004","13.762","0.002","90","","101.358","0.002","90","","7939","2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C75 H69 N9 O6 S3 -","- C75 H69 N9 O6 S3 -","- C300 H276 N36 O24 S12 -","4","1","","ISHIMARU, Yoshihiro; SHIMOYAMA, Naoyuki; SHIBA, Haruaki; FUJIHARA, Takashi","<i>p</i>-Nitrophenyl[36]trithianonaphyrin(1.0.0.1.0.0.1.0.0) with a Weak Antiaromatic Character","X-ray Structure Analysis Online","2015","31","0","21","","10.2116/xraystruct.31.21","","","0.71073","MoKα","","0.1709","0.0656","","","0.1368","0.1633","","","","","","0.775","","","","has coordinates","216236","2020-10-21","18:00:00",""
"1551802","19.3525","0.0004","35.446","0.0004","27.9608","0.0007","90","","110.124","0.001","90","","18009.3","0.6","93.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C157 H252 Al6 O41 S11 -","- C157 H247 Al6 O41 S11 -","- C628 H988 Al24 O164 S44 -","4","1","","KAMEI, Yuya; MIZUGUCHI, Jin","Crystal Structure of a Hexa-Nuclear Al-Complex with Ligands of 3,5-Di-t-butylsalicylate Ions","X-ray Structure Analysis Online","2009","25","","81","","10.2116/xraystruct.25.81","","","1.54187","CuKα","","","0.1589","","","","0.437","","","","","","1.498","","","","has coordinates,has disorder","216415","2020-10-21","18:00:00",""
"1551838","21.179","0.0014","9.0172","0.0006","20.4471","0.0013","90","","94.011","0.002","90","","3895.3","0.4","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H51 Cl Cs N7 O2 -","- C41 H51 Cl Cs N7 O2 -","- C164 H204 Cl4 Cs4 N28 O8 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.0323","0.0303","","","0.0687","0.0694","","","","","","1.207","","","","has coordinates","216459","2020-10-21","18:00:00",""
"1552108","20.7441","0.0003","10.7498","0.00016","21.6524","0.0003","90","","101.754","0.0014","90","","4727.14","0.12","100","0.3","100","0.3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H71 O19 P V6 -","- C32 H71 O19 P V6 -","- C128 H284 O76 P4 V24 -","4","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.0584","0.0568","","","0.1553","0.1568","","","","","","1.055","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552115","5.34","0.001","9.241","0.001","14.689","0.002","90","","93.66","0.03","90","","723.38","0.19","","","298","","","","100","","","","Synthetic","4","C 1 c 1","C -2yc","9","Mg3Si2O5(OH)4","","chrysotile","- H4 Mg3 O9 Si2 -","- Mg3 O9 Si2 -","- Mg12 O36 Si8 -","4","1","","Falini, G.; Foresti, E.; Gazzano, M.; Gualtieri, A.F.; Leoni, M.; Lesci, I.G.; Roveri, N.","Tubular-shaped stoichiometric chrysotile nanocrystals","Chemistry - European Journal","2004","10","","3043","3049","10.1002/chem.200305685","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1552256","38.656","0.004","18.5689","0.0019","22.026","0.002","90","","115.432","0.003","90","","14278","2","104","2","104","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C238.88 H234 F48 N19.29 Na4 O87.2 S2 -","- C238.876 H234 F48 N19.288 Na4 O87.2 S2 -","- C477.752 H468 F96 N38.576 Na8 O174.4 S4 -","2","0.5","","Jagleniec, Damian; Dobrzycki, Lukasz; Karbarz, Marcin; Romanski, Jan","Ion-pair induced supramolecular assembly formation for selective extraction and sensing of potassium sulfate","Chemical Science","2019","","","","","10.1039/C9SC02923K","","","0.71073","MoKα","","0.1639","0.0934","","","0.2267","0.2684","","","","","","1.437","","","","has coordinates,has disorder","217641","2020-10-21","18:00:00",""
"1552363","19.057","0.0014","9.3346","0.0005","6.5322","0.0004","90","","92.752","0.002","90","","1160.67","0.13","","","298","","","","100","","","","","6","C 1 c 1","C -2yc","9","Ca3Zn2(PO4)2CO3(OH)2H2O","","skorpionite","- C H4 Ca3 O14 P2 Zn2 -","- C H4 Ca3 O14 P2 Zn2 -","- C4 H16 Ca12 O56 P8 Zn8 -","4","1","","Tobase, T.; Yoshiasa, A.; Jinnouchi, S.; Kitahara, G.; Hongu, H.; Tokuda, M.; Okube, M.; Sugiyama, K.","Crystal structure, large distortion of the Zn tetrahedron, and statistical displacement of water molecules in skorpionite : Cc model","Journal of Mineralogical and Petrological Sciences","2019","114","","178","188","10.2465/jmps.180801","","","","","","","","","","","","","","","","","","","","","has coordinates","218943","2020-10-21","18:00:00",""
"1552507","13.441","0.0008","13.1854","0.0008","24.0772","0.0016","90","","94.762","0.002","90","","4252.4","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 B O -","- C27 H27 B O -","- C216 H216 B8 O8 -","8","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.058","0.0437","","","0.1059","0.1127","","","","","","1.098","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552542","17.139","0.003","9.122","0.002","12.098","0.002","90","","126.55","0.03","90","","1519.5","0.8","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H23 Cl2 N3 V -","- C8 H23 Cl2 N3 V -","- C32 H92 Cl8 N12 V4 -","4","1","","Zanchin, Giorgia; Bertini, Fabio; Vendier, Laure; Ricci, Giovanni; Lorber, Christian; Leone, Giuseppe","Copolymerization of Ethylene with Propylene and Higher α-Olefins Catalyzed by (Imido)vanadium(IV) Dichloride Complexes","Polymer Chemistry","2019","","","","","10.1039/C9PY01415B","","","0.71073","MoKα","","0.0807","0.0445","","","0.1078","0.1247","","","","","","0.843","","","","has coordinates","220584","2020-10-21","18:00:00",""
"1552789","9.974","0.003","31.629","0.009","10.014","0.003","90","","90.149","0.004","90","","3159.1","1.6","90","2","90","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C65 H12 -","- C65 H12 -","- C260 H48 -","4","1","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71073","MoKα","","0.0466","0.0444","","","0.1199","0.1216","","","","","","1.24","","","","has coordinates","227421","2020-10-21","18:00:00",""
"1552791","9.948","0.002","31.536","0.007","9.988","0.002","90","","90.035","0.003","90","","3133.4","1.1","90","2","90","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C64 H10 O -","- C64 H10 O -","- C256 H40 O4 -","4","1","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71073","MoKα","","0.0344","0.0342","","","0.0843","0.0847","","","","","","1.072","","","","has coordinates","227423","2020-10-21","18:00:00",""
"1552995","5.5702","0.0014","24.243","0.006","17.573","0.005","90","","93.744","0.01","90","","2368","1.1","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H24 O3 -","- C32 H24 O3 -","- C128 H96 O12 -","4","1","","Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M.","Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms","Org. Chem. Front.","2014","1","7","759","","10.1039/C4QO00130C","","","0.71073","MoKα","","0.1013","0.0547","","","0.1105","0.1281","","","","","","0.986","","","","has coordinates","232943","2020-10-21","18:00:00",""
"1553116","19.3445","0.0009","16.8974","0.0006","16.1902","0.0007","90","","111.004","0.001","90","","4940.5","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C52 H55 B Cl4 F4 N3 Os P -","- C52 H55 B Cl4 F4 N3 Os P -","- C208 H220 B4 Cl16 F16 N12 Os4 P4 -","4","1","","Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping","Reactions of osmapyridinium with terminal alkynes","Organic Chemistry Frontiers","2015","2","5","560","","10.1039/C5QO00052A","","","0.71073","MoKα","","0.0439","0.0344","","","0.0737","0.0858","","","","","","1.091","","","","has coordinates","233608","2020-10-21","18:00:00",""
"1553173","12.89225","0.00014","15.11065","0.00014","24.8076","0.0003","90","","101.997","0.001","90","","4727.22","0.09","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H23 Cl F7 N O -","- C26 H23 Cl F7 N O -","- C208 H184 Cl8 F56 N8 O8 -","8","2","","Lao, Ye-Xing; Wu, Jia-Qiang; Chen, Yunyun; Zhang, Shang-Shi; Li, Qingjiang; Wang, Honggen","Palladium-catalyzed methylene C(sp3)‒H arylation of the adamantyl scaffold","Organic Chemistry Frontiers","2015","2","10","1374","","10.1039/C5QO00218D","","x-ray","1.54184","CuKα","","0.0304","0.0289","","","0.0725","0.0738","","","","","","1.041","","","","has coordinates","233662","2020-10-21","18:00:00",""
"1553377","25.67","0.005","7.0317","0.0013","17.015","0.003","90","","103.786","0.003","90","","2982.8","1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C160 H128 N16 O24 -","8","2","","Liu, Ye; Yu, Heng-Yi; Xu, Hong-Zhe; Liu, Jun-Jun; Meng, Xiang-Gao; Zhou, Ming; Ruan, Han-Li","Alkaloids with Immunosuppressive Activity from the Bark of Pausinystalia yohimbe.","Journal of natural products","2018","81","8","1841","1849","10.1021/acs.jnatprod.8b00324","","","0.71073","MoKα","","0.1036","0.061","","","0.131","0.1493","","","","","","0.995","","","","has coordinates","234196","2020-10-21","18:00:00",""
"1553747","21.7066","0.0008","21.7067","0.0008","20.1949","0.0013","90","","122.509","0.003","90","","8024.4","0.7","213","2","213","2","","","","","","","","2","C 1 c 1","C -2yc","9","","1,4,1',4?-tetramethyl-9,9?-bifluorenylidene","","- C30 H24 -","- C30 H24 -","- C480 H384 -","16","4","","Takai, Atsuro; Freas, Dylan J.; Suzuki, Toshikane; Sugimoto, Manabu; Labuta, Jan; Haruki, Rie; Kumai, Reiji; Adachi, Shin-ichi; Sakai, Hayato; Hasobe, Taku; Matsushita, Yoshitaka; Takeuchi, Masayuki","The effect of a highly twisted CC double bond on the electronic structures of 9,9′-bifluorenylidene derivatives in the ground and excited states","Organic Chemistry Frontiers","2017","4","5","650","","10.1039/C7QO00125H","","","0.71073","MoKα","","0.1838","0.0776","","","0.1578","0.2027","","","","","","0.874","","","","has coordinates","235970","2020-10-21","18:00:00",""
"1553798","7.6272","0.0007","13.3952","0.0013","11.846","0.0012","90","","90.87","0.003","90","","1210.1","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,9-trinitro-2,4,9-triazaadamantane-7-yl nitrate","","- C7 H9 N7 O9 -","- C7 H9 N7 O9 -","- C28 H36 N28 O36 -","4","1","","Hou, Tianjiao; Zhang, Jian; Wang, Chenjiao; Luo, Jun","A facile method to construct a 2,4,9-triazaadamantane skeleton and synthesize nitramine derivatives","Organic Chemistry Frontiers","2017","4","9","1819","","10.1039/C7QO00357A","","","0.71073","MoKα","","0.0262","0.0256","","","0.0682","0.0686","","","","","","1.058","","","","has coordinates","236045","2020-10-21","18:00:00",""
"1554247","42.454","0.009","11.064","0.002","9.786","0.002","90","","94.49","0.03","90","","4582.5","1.6","153","2","153.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C31 H27 N -","- C31 H27 N -","- C248 H216 N8 -","8","2","","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","","0.1596","0.1348","","","0.2727","0.2993","","","","","","1.103","","","","has coordinates,has disorder","237061","2020-10-21","18:00:00",""
"1554451","12.1152","0.0014","14.1577","0.0018","24.768","0.003","90","","93.519","0.002","90","","4240.3","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C208 H184 N8 O16 S8 -","8","2","","Zhang, Jia-hao; Wei, Yin; Shi, Min","Gold-catalyzed ring enlargement and cycloisomerization of alkynylamide tethered alkylidenecyclopropanes","Organic Chemistry Frontiers","2018","5","20","2980","","10.1039/C8QO00907D","","","0.71073","MoKα","","0.0513","0.0373","","","0.0883","0.0965","","","","","","1.031","","","","has coordinates","237247","2020-10-21","18:00:00",""
"1554672","53.109","0.011","7.2441","0.0017","13.687","0.003","90","","97.371","0.005","90","","5222","2","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C264 H184 B8 F16 O24 -","8","2","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.1206","0.089","","","0.2251","0.2518","","","","","","1.009","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554697","36.594","0.002","7.353","0.003","28.802","0.003","90","","123.87","0.03","90","","6435","4","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C63.5 H60 N6 O14.5 -","- C63.5 H60 N6 O14.5 -","- C254 H240 N24 O58 -","4","1","","Ren, Demin; Liu, Bin; Li, Xiaofang; Koniarz, Sebastian; Pawlicki, Miłosz; Chmielewski, Piotr J.","Reactions of 2-aza-21-carbaporphyrin with aniline derivatives","Organic Chemistry Frontiers","2019","6","7","908","","10.1039/C9QO00024K","","","0.71073","MoKα","","0.0922","0.0634","","","0.1522","0.1703","","","","","","1.036","","","","has coordinates,has disorder","238060","2020-10-21","18:00:00",""
"1554729","16.191","0.002","17.7337","0.0007","8.5986","0.0011","90","","137.72","0.03","90","","1661","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 O2 P -","- C20 H17 O2 P -","- C80 H68 O8 P4 -","4","1","","Zhao, Xiuli; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Wu, Yangjie","Stepwise photosensitized C(sp3)‒C(CO) bond cleavage and C‒P bond formation of 1,3-dicarbonyls with arylphosphine oxides","Organic Chemistry Frontiers","2019","6","9","1433","","10.1039/C9QO00075E","","x-ray","1.54184","CuKα","","0.0405","0.0374","","","0.0923","0.0969","","","","","","1.072","","","","has coordinates","238081","2020-10-21","18:00:00",""
"1554770","14.4203","0.0002","27.3088","0.0004","10.3569","0.0001","90","","94.182","0.001","90","","4067.7","0.09","180","0.1","180","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C70 H22.75 N O4.88 S2 -","- C70 H22.734 N O4.867 S2 -","- C280 H90.936 N4 O19.468 S8 -","4","1","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","x-ray","0.71073","MoKα","","0.0451","0.0433","","","0.1187","0.1202","","","","","","1.026","","","","has coordinates","238110","2020-10-21","18:00:00",""
"1554786","19.6986","0.0013","10.9502","0.0008","16.5805","0.0011","90","","122.988","0.0017","90","","2999.9","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H38 O2 S2 -","- C36 H38 O2 S2 -","- C144 H152 O8 S8 -","4","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0457","0.0369","","","0.088","0.0921","","","","","","1.043","","","","has coordinates,has disorder","238118","2020-10-21","18:00:00",""
"1554810","14.8194","0.0008","23.1341","0.0013","17.3079","0.001","90","","104.994","0.002","90","","5731.7","0.6","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C288 H264 O36 -","12","3","","Gelat, Fabien; Richard, Vincent; Berger, Olivier; Montchamp, Jean-Luc","Development of a new family of chiral auxiliaries.","Organic letters","2015","17","8","1819","1821","10.1021/acs.orglett.5b00278","","","0.71073","","","0.0767","0.0598","","","0.1421","0.1543","","","","","","1.083","","","","has coordinates","238132","2020-10-21","18:00:00",""
"1554843","10.7226","0.0003","12.3939","0.0003","15.6108","0.0004","90","","92.991","0.003","90","","2071.77","0.09","123","40","123","40","","","","","","","","7","C 1 c 1","C -2yc","9","1a","","","- C16 H23 Cl F6 N3 O2 P -","- C16 H23 Cl F6 N3 O2 P -","- C64 H92 Cl4 F24 N12 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0509","0.0434","","","0.1061","0.1107","","","","","","1.038","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554876","14.3037","0.0001","14.0845","0.0001","23.7866","0.0002","90","","91.922","0.001","90","","4789.36","0.06","104","7","104","7","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H27 N2 O4.5 -","- C29 H27 N2 O4.5 -","- C232 H216 N16 O36 -","8","2","","Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018","Organic Chemistry Frontiers","2019","6","17","3053","","10.1039/C9QO00351G","","x-ray","1.54184","CuKα","","0.0433","0.0414","","","0.1125","0.1141","","","","","","1.032","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1554880","14.0887","0.0005","10.5929","0.0004","9.0247","0.0003","90","","114.771","0.002","90","","1222.92","0.08","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","JSGP1059","trans-(6Z,8Z)-1,5-Dimethylcyclonona-6,8-diene-1,5-diyl)dimethanol","","- C13 H22 O2 -","- C13 H22 O2 -","- C52 H88 O8 -","4","1","","Prado, Gustavo; Veiga, Alberte X.; Fernández-Nieto, Fernando; Paleo, M. Rita; Sardina, F. Javier","A two-step, stereoselective synthesis of nine- and ten-membered carbocycles from phthalates.","Organic letters","2015","17","9","2054","2057","10.1021/acs.orglett.5b00552","","x-ray","0.71073","MoKα","","0.0604","0.0455","","","0.0925","0.099","","","","","","0.995","","","","has coordinates","238176","2020-10-21","18:00:00",""
"1554920","13.529","0.0011","16.7566","0.0013","8.6938","0.0007","90","","116.175","0.001","90","","1768.8","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H16 N2 O2 S -","- C21 H16 N2 O2 S -","- C84 H64 N8 O8 S4 -","4","1","","Lee, Dong Jin; Yoo, Eun Jeong","Efficient synthesis of C-N-coupled heterobiaryls by sequential N-H functionalization reactions.","Organic letters","2015","17","8","1830","1833","10.1021/acs.orglett.5b00625","","","0.71073","MoKα","","0.0773","0.045","","","0.0859","0.1431","","","","","","1.28","","","","has coordinates","238209","2020-10-21","18:00:00",""
"1554973","37.78","0.008","8.9173","0.0018","26.953","0.005","90","","133.41","0.03","90","","6596","4","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H58 Cl6 N8 O12 S -","- C70 H58 Cl6 N8 O12 S -","- C280 H232 Cl24 N32 O48 S4 -","4","1","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.","Organic letters","2015","17","9","2194","2197","10.1021/acs.orglett.5b00767","","","1.54178","CuKα","","0.1583","0.1172","","","0.2834","0.3225","","","","","","1.146","","","","has coordinates,has disorder","238247","2020-10-21","18:00:00",""
"1555088","7.2179","0.001","17.509","0.002","18.867","0.003","90","","100.172","0.008","90","","2346.9","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H20 Cl F3 N2 O2 -","- C26 H20 Cl F3 N2 O2 -","- C104 H80 Cl4 F12 N8 O8 -","4","1","","Yu, Yang; Zhang, Yan; Wang, Zhuo; Liang, Yong-Xin; Zhao, Yu-Long","A rhodium-catalyzed three-component reaction of arylisocyanides, trifluorodiazoethane, and activated methylene isocyanides or azomethine ylides: an efficient synthesis of trifluoroethyl-substituted imidazoles","Organic Chemistry Frontiers","2019","6","21","3657","","10.1039/C9QO00856J","","","1.54178","CuKα","","0.0619","0.042","","","0.0952","0.1026","","","","","","1.091","","","","has coordinates","238312","2020-10-21","18:00:00",""
"1555098","13.055","0.005","13.601","0.005","10.697","0.005","90","0.005","100.788","0.005","90","0.005","1865.8","1.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H16 N4 -","- C23 H16 N4 -","- C92 H64 N16 -","4","1","","Surendra Reddy, G.; Ramachary, Dhevalapally B.","Reaction engineering and photophysical studies of fully enriched C-vinyl-1,2,3-triazoles","Organic Chemistry Frontiers","2019","6","21","3620","","10.1039/C9QO00864K","","","0.71073","MoKα","","0.077","0.0668","","","0.1683","0.1755","","","","","","1.071","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1555168","10.8289","0.0002","10.4035","0.0002","17.1866","0.0003","90","","103.19","0.002","90","","1885.14","0.06","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H18 N2 O6 Si -","- C19 H18 N2 O6 Si -","- C76 H72 N8 O24 Si4 -","4","1","","Vale, João R.; Valkonen, Arto; Afonso, Carlos A. M.; Candeias, Nuno R.","Synthesis of silacyclopent-2-en-4-ols via intramolecular [2 + 2] photocycloaddition of benzoyl(allyl)silanes","Organic Chemistry Frontiers","2019","6","22","3793","","10.1039/C9QO01028A","","","1.54184","CuKα","","0.0279","0.0274","","","0.0735","0.0741","","","","","","1.025","","","","has coordinates","238364","2020-10-21","18:00:00",""
"1555185","24.4812","0.0004","7.9863","0.0001","25.3899","0.0003","90","","103.221","0.001","90","","4832.51","0.12","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O8 -","- C26 H37 N O8 -","- C208 H296 N8 O64 -","8","2","","Zhong, Jiaxin; He, Haibing; Gao, Shuanhu","Exploration of 1,3-dipolar cycloaddition reactions to construct the core skeleton of Calyciphylline A-type alkaloids","Organic Chemistry Frontiers","2019","6","22","3781","","10.1039/C9QO01111K","","x-ray","1.54184","CuKα","","0.0582","0.0577","","","0.1522","0.1526","","","","","","1.068","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555206","9.0718","0.0018","20.806","0.004","12.975","0.003","90","","107.07","0.03","90","","2341.1","0.9","173.15","","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Liu, Honglei; Yuan, Chunhao; Wu, Yang; Xiao, Yumei; Guo, Hongchao","Sc(OTf)3-Catalyzed [3 + 3] Cycloaddition of Cyclopropane 1,1-Diesters with Phthalazinium Dicyanomethanides.","Organic letters","2015","17","17","4220","4223","10.1021/acs.orglett.5b02003","","","0.71073","MoKα","","0.0391","0.0363","","","0.0758","0.0776","","","","","","1.103","","","","has coordinates","238387","2020-10-21","18:00:00",""
"1555633","5.767","0.0008","26.604","0.004","17.464","0.002","90","","96.051","0.002","90","","2664.5","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H32 N2 O2 Pt -","- C33 H32 N2 O2 Pt -","- C132 H128 N8 O8 Pt4 -","4","1","","Saris, Patrick J. G.; Thompson, Mark E.","Gram Scale Synthesis of Benzophenanthroline and Its Blue Phosphorescent Platinum Complex.","Organic letters","2016","18","16","3960","3963","10.1021/acs.orglett.6b01693","","","0.71073","MoKα","","0.0499","0.0349","","","0.056","0.0592","","","","","","0.967","","","","has coordinates","238965","2020-10-21","18:00:00",""
"1555648","14.246","0.015","9.001","0.009","14.506","0.014","90","","89.933","0.012","90","","1860","3","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H7 B F2 N2 O -","- C10 H7 B F2 N2 O -","- C80 H56 B8 F16 N16 O8 -","8","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Rhodium-Catalyzed C6-Selective C-H Borylation of 2-Pyridones.","Organic letters","2016","18","15","3742","3745","10.1021/acs.orglett.6b01762","","","0.71075","MoKα","","","0.0513","","","","0.105","","","","","","1.025","","","","has coordinates","238980","2020-10-21","18:00:00",""
"1555655","28.619","0.003","13.5049","0.0014","11.3279","0.0011","90","","101.05","0.002","90","","4297","0.8","123","2","123","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C36 H18 -","- C36 H18 -","- C288 H144 -","8","2","","Fujikawa, Takao; Preda, Dorin V.; Segawa, Yasutomo; Itami, Kenichiro; Scott, Lawrence T.","Corannulene-Helicene Hybrids: Chiral π-Systems Comprising Both Bowl and Helical Motifs.","Organic letters","2016","18","16","3992","3995","10.1021/acs.orglett.6b01801","","","0.71075","MoKα","","0.0406","0.033","","","0.0811","0.0893","","","","","","1.047","","","","has coordinates","238987","2020-10-21","18:00:00",""
"1555730","8.1402","0.0013","15.085","0.002","8.9672","0.0014","90","","104.569","0.005","90","","1065.7","0.3","147","2","147","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Luo, Bo; Gao, Jin-Ming; Lautens, Mark","Palladium-Catalyzed Norbornene-Mediated Tandem Amination/Cyanation Reaction: A Method for the Synthesis of ortho-Aminated Benzonitriles.","Organic letters","2016","18","17","4166","4169","10.1021/acs.orglett.6b02249","","","0.71073","MoKα","","0.0455","0.0369","","","0.0852","0.0897","","","","","","1.023","","","","has coordinates","239061","2020-10-21","18:00:00",""
"1555829","5.5545","0.0008","22.3478","0.0018","25.462","0.003","90","","94.477","0.001","90","","3151","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C144 H112 N16 O32 -","8","2","","Meng, Ling-Hong; Wang, Chen-Yin; Mándi, Attila; Li, Xiao-Ming; Hu, Xue-Yi; Kassack, Matthias U.; Kurtán, Tibor; Wang, Bin-Gui","Three Diketopiperazine Alkaloids with Spirocyclic Skeletons and One Bisthiodiketopiperazine Derivative from the Mangrove-Derived Endophytic Fungus Penicillium brocae MA-231.","Organic letters","2016","18","20","5304","5307","10.1021/acs.orglett.6b02620","","","1.54178","CuKα","","0.1148","0.0737","","","0.1505","0.168","","","","","","1.163","","","","has coordinates","239157","2020-10-21","18:00:00",""
"1555852","28.703","0.003","13.0666","0.0014","8.1548","0.0009","90","","106.279","0.007","90","","2935.8","0.6","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-methyl 3-(1-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-4-yl)acrylate","","- C15 H12 F3 N O3 -","- C15 H12 F3 N O3 -","- C120 H96 F24 N8 O24 -","8","2","","Lanke, Veeranjaneyulu; Bettadapur, Kiran R.; Prabhu, Kandikere Ramaiah","Electronic Nature of Ketone Directing Group as a Key To Control C-2 vs C-4 Alkenylation of Indoles.","Organic letters","2016","18","21","5496","5499","10.1021/acs.orglett.6b02698","","","0.71073","MoKα","","0.1606","0.1282","","","0.3334","0.352","","","","","","1.22","","","","has coordinates","239179","2020-10-21","18:00:00",""
"1555953","14.279","0.002","20.305","0.004","9.8589","0.0017","90","","119.294","0.002","90","","2492.9","0.7","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H27 N3 O3 -","- C30 H27 N3 O3 -","- C120 H108 N12 O12 -","4","1","","Zhao, Yu; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Hydrazide-Containing Chroman-2-ones and Dihydroquinolin-2-ones via Photocatalytic Radical Cascade Reaction of Aroylhydrozones.","Organic letters","2016","18","24","6304","6307","10.1021/acs.orglett.6b03174","","","0.71073","MoKα","","0.0473","0.0389","","","0.1025","0.1092","","","","","","1.031","","","","has coordinates","239274","2020-10-21","18:00:00",""
"1556312","25.06","0.02","6.782","0.005","13.057","0.015","90","","110.81","0.03","90","","2074","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 F12 N2 O2 -","- C18 H18 F12 N2 O2 -","- C72 H72 F48 N8 O8 -","4","1","","Legros, Julien; Bonnet-Delpon, Danièle; Crousse, Benoit; Slawin, Alexandra M. Z.","Self-assembly between 1,4-diazabicyclo[2.2.2]octane and bis(hexafluoroalcohols): solid/liquid phase switching for catalyst recycling","Catalysis Science & Technology","2012","2","5","934","","10.1039/c2cy00528j","","","1.54178","CuKα","","0.1404","0.1324","","","0.3253","0.3567","","","","","","1.33","","","","has coordinates","244207","2020-10-21","18:00:00",""
"1556357","20.4091","0.0011","16.3489","0.0009","26.2219","0.0018","90","","111.97","0.001","90","","8114","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C87 H114 O2 P8 Pt2 -","- C87 H114 O2 P8 Pt2 -","- C348 H456 O8 P32 Pt8 -","4","1","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0459","0.0329","","","0.0571","0.0612","","","","","","1.015","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556448","17.1743","0.0004","16.1763","0.0004","21.079","0.0004","90","","97.8336","0.0007","90","","5801.4","0.2","296","1","296","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H48 F12 N6 P4 Ru -","- C64 H48 F12 N6 P4 Ru -","- C256 H192 F48 N24 P16 Ru4 -","4","1","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.058","","","","0.2164","","","","","","1.126","","","","has coordinates","244947","2020-10-21","18:00:00",""
"1556581","14.9582","0.0007","12.6454","0.0006","16.3325","0.0008","90","","104.95","0.002","90","","2984.8","0.2","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C19 H38 Cl2 F6 N O6 P Si2 -","- C19.0007 H37.9984 Cl2.0007 F6 N O6 P Si2 -","- C76.0028 H151.994 Cl8.0028 F24 N4 O24 P4 Si8 -","4","1","","Dankert, F.; Reuter, K.; Donsbach, C.; Von Hanisch, C.","Hybrid Disila-Crown Ethers as Hosts for Ammonium Cations: The O-Si-Si-O Linkage as an Acceptor for Hydrogen Bonding","Inorganics","2018","6","","15","","10.3390/inorganics6010015","","","0.71073","MoKα","","0.0635","0.0535","","","0.1267","0.1329","","","","","","1.035","","","","has coordinates,has disorder","245201","2020-10-21","18:00:00",""
"1556875","33.357","0.0002","32.3478","0.0003","45.8124","0.0003","90","","102.32","0.001","90","","48294.4","0.6","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6 -","- C303 H387.9 B98.4 F18 Fe4 N55.5 O36 S6 -","- C1212 H1551.6 B393.6 F72 Fe16 N222 O144 S24 -","4","1","","Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R.","Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage","Chemical Science","2020","11","4","1097","1101","10.1039/C9SC05728E","","","0.6889","Synchrotron","","0.1256","0.103","","","0.2631","0.2822","","","","","","1.027","","","","has coordinates,has disorder","257314","2020-10-21","18:00:00",""
"1556990","9.2919","0.0008","16.0991","0.0011","6.4436","0.0003","90","","91.404","0.005","90","","963.62","0.12","","","298","","","","100","","","","Jachymov, Western Bohemia, Czech Republic","4","C 1 c 1","C -2yc","9","Na4(UO2)(CO3)3","","cejkaite","- C3 Na4 O11 U -","- C3 Na4 O11 U -","- C12 Na16 O44 U4 -","4","1","","Plasil, J.; Fejfarova, K.; Dusek, M.; Skoda, R.; Rohlicek, J.","Revision of the symmetry and the crystal structure of cejkaite, Na4(UO2)(CO3)3","American Mineralogist","2013","98","","549","553","10.2138/am.2013.4331","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1557120","19.4406","0.0003","17.1714","0.0003","19.516","0.0003","90","","103.079","0.0016","90","","6345.86","0.18","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H51 B Cl2 F24 N5 Rh -","- C60 H51 B Cl2 F24 N5 Rh -","- C240 H204 B4 Cl8 F96 N20 Rh4 -","4","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","0.71073","MoKα","","0.0415","0.0383","","","0.0953","0.0976","","","","","","1.025","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557347","14.569","0.005","12.086","0.004","11.793","0.004","90","","105.63","0.03","90","","1999.7","1.2","","","130","","","","","","","","","4","C 1 c 1","C -2yc","9","2,3,4-Trimethyl-c-2,c-5-dinitro-t-6-trinitromethylcyclohex-3-en-r-1-ol ethyl etherate","","","- C14 H23 N5 O12 -","- C14 N5 O12 -","- C56 N20 O48 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","1.5418","CuKα","","","0.041","","","","0.096","","","","","","","","","","has coordinates","248316","2020-10-21","18:00:00",""
"1557612","9.434","0.0019","17.134","0.004","8.826","0.0018","90","","105.01","0.04","90","","1378","0.6","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","BH4051","Tojiboev, Akmal; Nasrullaev, Azizbek; Turgunov, Kambarali; Elmuradov, Burkhan; Tashkhodjaev, Bakhodir","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","IUCrData","2020","5","3","","","10.1107/S2414314620003569","","","1.54184","CuKα","","0.052","0.0445","","","0.1177","0.123","","","","","","1.035","","","","has coordinates,has Fobs","249391","2020-10-21","18:00:00",""
"1557656","28.077","0.003","32.756","0.004","20.619","0.002","90","","120.475","0.002","90","","16343","3","110","","110","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C58 H80 Fe3 Li3 O7 Yb -","- C58 H80 Fe3 Li3 O7 Yb -","- C696 H960 Fe36 Li36 O84 Yb12 -","12","3","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0485","0.0414","","","0.0963","0.1054","","","","","","1.109","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557729","19.363","0.012","6.968","0.004","11.867","0.006","90","","104.62","0.04","90","","1549.3","1.6","","","153","","","","","","","","","4","C 1 c 1","C -2yc","9","Dichlorobis(eta5-cyclopentadienyl)zirconium(IV) [Zr(C9H7)2Cl2]","","","- C18 H14 Cl2 Zr -","- C18 Cl2 Zr -","- C72 Cl8 Zr4 -","4","1","","Repo, Timo; Klinga, Martti; Mutikainen, Ilpo; Su, Yincai; Leskela, Markku; Polamo, Mika","Low-Temperature Crystal Structures of Dichlorobis(eta5-indenyl)zirconium(IV) at 153 K and Dichlorobis(eta5-cyclopentadienyl)zirconium(IV) at 193 K","Acta Chemica Scandinavica","1996","50","","1116","1120","10.3891/acta.chem.scand.50-1116","","x-ray","0.71073","MoKα","","0.0373","0.0355","","","0.0884","0.0903","","","","","","1.087","","","","has coordinates","249999","2020-10-21","18:00:00",""
"1558114","20.0922","0.0013","11.4805","0.0006","18.359","0.0011","90","","120.155","0.003","90","","3661.7","0.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H59 N2 P Si2 U -","- C35 H59 N2 P Si2 U -","- C140 H236 N8 P4 Si8 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0275","0.0224","","","0.0392","0.0404","","","","","","0.996","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558135","9.682","0.002","18.886","0.006","24.789","0.007","90","","99.902","0.011","90","","4465","2","120","1","120","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H32 Cl Cu N7 O4 -","- C18 H32 Cl Cu N7 O4 -","- C144 H256 Cl8 Cu8 N56 O32 -","8","2","","Martínez-Camarena, Álvaro; Sánchez-Murcia, Pedro A; Blasco, Salvador; González, Leticia; García-España, Enrique","Unveiling the reaction mechanism of novel copper N-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity.","Chemical communications (Cambridge, England)","2020","56","54","7511","7514","10.1039/d0cc01926g","","","0.71073","MoKα","","0.0349","0.0275","","","0.061","0.0648","","","","","","1.034","","","","has coordinates","254913","2020-10-21","18:00:00",""
"1558386","12.063","0.002","27.127","0.005","8.2526","0.0014","90","","129.29","0.006","90","","2090.1","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","","Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy","Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.","The journal of physical chemistry. B","2020","124","26","5393","5406","10.1021/acs.jpcb.0c04115","","","0.71073","MoKα","","0.1045","0.0735","","","0.2065","0.2338","","","","","","1.061","","","","has coordinates","253749","2020-10-21","18:00:00",""
"1558426","11.0876","0.0003","20.5912","0.0004","19.1254","0.0004","90","","96.758","0.002","90","","4336.12","0.17","150","","150","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C34 H20 -","- C34 H20 -","- C272 H160 -","8","2","","Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong","Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group","Chemical Science","2020","","","","","10.1039/D0SC02058C","","x-ray","1.54184","CuKα","","0.0534","0.0505","","","0.1342","0.1392","","","","","","1.023","","","","has coordinates","253463","2020-10-21","18:00:00",""
"1558501","19.6546","0.0008","17.9133","0.0006","24.0581","0.0011","90","","112.816","0.005","90","","7807.6","0.6","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H13.5 B Cu F4 N6 O0.75 -","- C18 H13.5 B Cu F3.999 N6 O0.75 -","- C288 H216 B16 Cu16 F63.984 N96 O12 -","16","4","","Beveridge, Stuart; McAnally, Craig A.; Nichol, Gary S.; Kennedy, Alan R.; Cussen, Edmund J.; Fletcher, Ashleigh J.","Unexpected Selective Gas Adsorption on a ‘Non-Porous’ Metal Organic Framework","Crystals","2020","10","6","548","","10.3390/cryst10060548","","","0.71073","MoKα","","0.0666","0.051","","","0.1226","0.1341","","","","","","1.037","","","","has coordinates,has disorder","254016","2020-10-21","18:00:00",""
"1558580","18.522","0.0003","13.0651","0.0002","7.0412","0.0001","90","","103.76","0.001","90","","1655.01","0.04","296","","296","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.34139","GaKα","","0.0438","0.0376","","","0.0933","0.0988","","","","","","1.06","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558582","14.345","0.002","8.3232","0.0013","8.8793","0.0014","90","","120.694","0.002","90","","911.6","0.2","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Liu, Chao; Zhai, Kun; Yu, Zhipeng; Nie, Anmin; Liu, Zhongyuan; Sun, Young","Hydrogen Bond Tuning of Magnetoelectric Coupling in Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c03916","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","254254","2020-10-21","18:00:00",""
"1558911","11.835","0.007","10.21","0.004","8.198","0.004","90","","131.8","0.03","90","","738.5","0.7","","","193","","","","","","","","","4","C 1 c 1","C -2yc","9","(E)-Benzotriazole-l-carbaldehyde oxime","","","- C7 H6 N4 O -","- C7 N4 O -","- C28 N16 O4 -","4","1","","Katritzky, Alan R.; Wu, Jing; Wrobel, Leszek; Rachwal, Stanislaw; Steel, Peter J.","Novel Conversions of Benzotriazol-1-ylmethyl Derivatives","Acta Chemica Scandinavica","1993","47","","167","175","10.3891/acta.chem.scand.47-0167","","x-ray","0.71069","MoKα","","","0.047","","","0.047","","","","","","","1.11","","","","has coordinates","255626","2020-10-21","18:00:00",""
"1558974","7.4348","0.0006","23.1324","0.0018","20.2671","0.0016","90","","90.377","0.001","90","","3485.6","0.5","298","2","298.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","Phenol Pentafluorophenol","","- C12 H7 F5 O2 -","- C12 H7 F5 O2 -","- C144 H84 F60 O24 -","12","3","","Gerthoffer, Margaret C.; Wu, Sikai; Chen, Bo; Wang, Tao; Huss, Steven; Oburn, Shalisa M.; Crespi, Vincent; Badding, John; Elacqua, Elizabeth","‘Sacrificial’ Supramolecular Assembly and Pressure-Induced Polymerization: Toward Sequence-Defined Functionalized Nanothreads","Chemical Science","2020","","","","","10.1039/D0SC03904G","","","0.71073","MoKα","","0.0446","0.0333","","","0.08","0.0876","","","","","","1.028","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1559197","20.5364","0.0007","25.2316","0.0006","7.01","0.0002","90","","115.214","0.004","90","","3286.3","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H27 Cl3 N2 O8 -","- C39 H27 Cl3 N2 O8 -","- C156 H108 Cl12 N8 O32 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0525","0.0514","","","0.1331","0.1342","","","","","","1.043","","","","has coordinates,has disorder","256767","2020-10-21","18:00:00",""
"1559316","18.1386","0.0006","13.7454","0.0005","19.8912","0.0007","90","","106.288","0.001","90","","4760.3","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","(BDI)Nb(NAr)(N(tBu)CO2)","(N-tert-butylcarbamidato-N,O)-(2,6-diisopropylphenyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V) diethyl ether solvate","","- C50 H77 N4 Nb O3 -","- C50 H77 N4 Nb O3 -","- C200 H308 N16 Nb4 O12 -","4","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0347","0.0325","","","0.077","0.0784","","","","","","1.048","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559368","17.0265","0.001","14.1187","0.0008","8.989","0.0005","90","","118.511","0.002","90","","1898.82","0.19","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Wang, Yidong; Zhu, Jin; Guo, Rui; Lindberg, Haley; Wang, Yiming","Iron-Catalyzed α-C‒H functionalization of π-Bonds: Cross-Dehydrogenative Coupling and Mechanistic Insights","Chemical Science","2020","","","","","10.1039/D0SC05091A","","","1.54178","CuKα","","0.0258","0.0257","","","0.0771","0.0773","","","","","","1.074","","","","has coordinates","258437","2020-10-21","18:00:00",""
"1559579","14.021","0.0002","17.7771","0.0003","17.7051","0.0003","90","","97.0981","0.0015","90","","4379.22","0.12","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H60 Au B N4 -","- C48 H60 Au B N4 -","- C192 H240 Au4 B4 N16 -","4","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0219","0.0195","","","0.042","0.0426","","","","","","1.043","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559769","13.9524","0.0006","14.0942","0.0005","22.7794","0.0008","90","","106.433","0.0015","90","","4296.5","0.3","300","2","300","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0471","0.0372","","","0.0936","0.0993","","","","","","1.047","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1560086","22.2884","0.0004","22.2818","0.0004","26.1267","0.0005","90","","97.5244","0.0017","90","","12863.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H23 Ir -","- C20 H23 Ir -","- C640 H736 Ir32 -","32","8","","Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G.","Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity","Chemical Science","2021","12","10","3568","3579","10.1039/D0SC05900E","","x-ray","0.71073","MoKα","","0.0433","0.0264","","","0.0473","0.053","","","","","","0.998","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560198","4.4453","0.0006","8.1098","0.001","12.7463","0.0018","90","","90","","90","","459.51","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- As B F H4 N O4 -","- As B F H4 N O4 -","- As4 B4 F4 H16 N4 O16 -","4","1","","Bai, Zhiyong; Liu, Lehui; Wang, Dongmei; Hu, Chun-Li; Lin, Zhoubin","To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units","Chemical Science","2021","12","11","4014","4020","10.1039/D1SC00080B","","x-ray","1.3405","GaKα","","0.0667","0.0616","","","0.1548","0.1764","","","","","","1.154","","","","has coordinates","263704","2021-04-05","14:27:41",""
"1560254","4.8578","0.0002","25.2786","0.0011","10.9482","0.0005","90","","97.952","0.001","90","","1331.49","0.1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","{[CuCN][Cu(isonic)2]}n","","","- C13 H8 Cu2 N3 O4 -","- C13 H8 Cu2 N3 O4 -","- C52 H32 Cu8 N12 O16 -","4","1","","Dong-Sheng Liu; Wen-Tong Chen; Guang-Ming Ye; Jing Zhang; Yan Sui","Synthesis and characterization of a multifunctional inorganic-organic hybrid mixed-valence copper(I/II) coordination polymer: {[CuCN][Cu(isonic)2]}n","Journal of Solid State Chemistry","2017","256","","14","18","10.1016/j.jssc.2017.08.017","","","0.71073","MoKα","","0.0228","0.0209","","","0.0504","0.0509","","","","","","1.009","","","","has coordinates,has Fobs","261389","2021-02-03","09:14:38",""
"1560510","12.5856","0.0004","5.3137","0.0001","20.0702","0.0006","90","","97.409","0.001","90","","1331.01","0.06","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Ca3 H2 O14 Se4 V -","- Ca3 O14 Se4 V -","- Ca12 O56 Se16 V4 -","4","1","","Konatham, Satish; Vidyasagar, Kanamaluru","Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10","Journal of Solid State Chemistry","2017","249","","39","45","10.1016/j.jssc.2017.02.017","","","0.71073","MoKα","","0.0345","0.0301","","","0.0707","0.0739","","","","","","1.054","","","","has coordinates","262126","2021-02-22","08:09:14",""
"1560636","28.5345","0.0014","9.4368","0.0004","18.1503","0.0007","90","","121.531","0.003","90","","4165.8","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H37 Cu3 N15 O S4 -","- C33 H37 Cu3 N15 O S4 -","- C132 H148 Cu12 N60 O4 S16 -","4","1","","Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui","Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property","Journal of Solid State Chemistry","2017","246","","48","56","10.1016/j.jssc.2016.10.030","","","1.54184","CuKα","","0.0465","0.0381","","","0.0831","0.0887","","","","","","1.034","","","","has coordinates","262221","2021-02-25","09:15:28",""
"1560661","29.417","0.0017","16.7935","0.001","18.281","0.002","90","","125.898","0.001","90","","7315.7","1","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H98 Cd Cl4 N24 O24 -","- C60 H72 Cd Cl4 N24 O19 -","- C240 H288 Cd4 Cl16 N96 O76 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0586","0.0556","","","0.1517","0.1555","","","","","","1.013","","","","has coordinates","262256","2021-02-26","09:41:20",""
"1560667","29.452","0.008","16.881","0.005","18.244","0.006","90","","125.881","0.007","90","","7349","4","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H98 Cd Cl4 N24 O24 -","- C60 H72 Cd Cl4 N24 O19 -","- C240 H288 Cd4 Cl16 N96 O76 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0942","0.0863","","","0.2375","0.2449","","","","","","1.026","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1560668","29.3272","0.0018","16.7251","0.0009","18.23","0.001","90","","125.95","0.002","90","","7238.7","0.7","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H96 Cd Cl4 N24 O23 -","- C60 H72 Cd Cl4 N24 O19 -","- C240 H288 Cd4 Cl16 N96 O76 -","4","1","","Zheng, Li-Mei; Liu, Jing-Xin","Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand","Journal of Solid State Chemistry","2017","245","","45","49","10.1016/j.jssc.2016.10.008","","","0.71073","MoKα","","0.0494","0.0482","","","0.1353","0.1368","","","","","","1.008","","","","has coordinates","262256","2021-02-26","09:41:21",""
"1561197","3.6563","0.0003","11.7958","0.001","13.1011","0.0011","90","","94.623","0.005","90","","563.2","0.08","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C20 H20 N12 O8 -","4","1","","Duan, Hui; Dan, Wenyan; Fang, Xiangdong","Zinc-coordinated MOFs complexes regulated by hydrogen bonds: Synthesis, structure and luminescence study toward broadband white-light emission","Journal of Solid State Chemistry","2018","260","","159","164","10.1016/j.jssc.2018.01.024","","","1.54178","CuKα","","0.0705","0.0609","","","0.1644","0.1761","","","","","","1.1","","","","has coordinates","263242","2021-03-23","08:28:52",""
"1561203","9.7103","0.0006","14.7858","0.001","17.0221","0.0011","90","","97.483","0.005","90","","2423.1","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","'lanthanum niobyl tris-dimethylsulfoxide tris-oxalate'","'lanthanum niobyl tris-dimethylsulfoxide tris-oxalate'","","- C12 H18 La Nb O16 S3 -","- C12 H18 La Nb O16 S3 -","- C48 H72 La4 Nb4 O64 S12 -","4","1","","Muniz, Collin N.; Patel, Hiral; Fast, Dylan B.; Rohwer, Lauren E.S.; Reinheimer, Eric W.; Dolgos, Michelle; Graham, Matt W.; Nyman, May","Rare earth niobate coordination polymers","Journal of Solid State Chemistry","2018","259","","48","56","10.1016/j.jssc.2017.12.034","","","0.71075","MoKα","","0.0284","0.0262","","","0.0577","0.0583","","","","","","0.987","","","","has coordinates,has disorder","263247","2021-03-23","08:46:53",""
"1561499","8.547","0.003","11.649","0.003","12.494","0.004","90","","109.818","0.012","90","","1170.3","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ga2 Na2 S6 Sn -","- Ga2.01 Na2 S6 Sn0.99 -","- Ga8.04 Na8 S24 Sn3.96 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0967","0.06","","","0.1431","0.1668","","","","","","1.061","","","","has coordinates","263903","2021-04-06","09:19:03",""
"1561500","7.263","0.0002","12.3404","0.0004","11.3057","0.0005","90","","99.959","0.002","90","","998.04","0.06","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge2 Na2 S6 Zn -","- Ge2 Na2 S6 Zn -","- Ge8 Na8 S24 Zn4 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0382","0.0319","","","0.058","0.0604","","","","","","1.036","","","","has coordinates","263903","2021-04-06","09:19:04",""
"1561501","7.3038","0.0002","12.6573","0.0003","11.5297","0.0003","90","","98.8702","0.0016","90","","1053.13","0.05","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cd Ge2 Na2 S6 -","- Cd Ge2 Na2 S6 -","- Cd4 Ge8 Na8 S24 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0341","0.0278","","","0.0403","0.0424","","","","","","0.942","","","","has coordinates","263903","2021-04-06","09:19:04",""
"1561502","11.983","0.004","7.786","0.003","12.126","0.004","90","","108.148","0.013","90","","1075.1","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- In2 Na2 S6 Si -","- In2 Na2 S6 Si -","- In8 Na8 S24 Si4 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.046","0.0404","","","0.0902","0.0949","","","","","","1.046","","","","has coordinates","263903","2021-04-06","09:19:04",""
"1561503","12.1651","0.0007","7.8212","0.0005","12.2355","0.0007","90","","108.655","0.002","90","","1102.99","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge In2 Na2 S6 -","- Ge In2 Na2 S6 -","- Ge4 In8 Na8 S24 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0202","0.0195","","","0.0392","0.0395","","","","","","1.003","","","","has coordinates","263903","2021-04-06","09:19:04",""
"1561562","10.7337","0.0014","6.2506","0.0003","12.8869","0.0014","90","","106.07","0.004","90","","830.82","0.15","","","300","","","","100","","","","","3","C 1 c 1","C -2yc","9","","","","- Cu2.06 O11 Ta4 -","- Cu2.05 O11 Ta4 -","- Cu8.2 O44 Ta16 -","4","1","","King, Nacole; Sullivan, Ian; Watkins-Curry, Pilanda; Chan, Julia Y.; Maggard, Paul A.","Flux-mediated syntheses, structural characterization and low-temperature polymorphism of the p-type semiconductor Cu2Ta4O11","Journal of Solid State Chemistry","2016","236","","10","18","10.1016/j.jssc.2015.08.041","powder diffraction","x-ray","1.5406","Kα~1,2~","","","","","","0.08587","","0.09653","","2.517","","","","","","","has coordinates","263977","2021-04-08","08:30:13",""
"1562345","24.6881","0.0003","14.15493","0.00012","38.5283","0.0004","90","","107.29","0.0011","90","","12855.6","0.2","140","0.1","140","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H97 Cl O14 Si3 U -","- C44 H97 Cl O14 Si3 U -","- C352 H776 Cl8 O112 Si24 U8 -","8","2","","Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella","Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides","Chemical Science","2021","","","","","10.1039/D1SC01796A","","x-ray","0.71073","MoKα","","0.0522","0.0455","","","0.0972","0.0997","","","","","","1.057","","","","has coordinates,has disorder","264743","2021-05-01","01:46:38",""
"1562430","13.1492","0.0018","9.5295","0.0013","11.0869","0.0015","90","","101.634","0.001","90","","1360.7","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Ag(UO2)WO6(OH)(H2O)3","","","- Ag0.97 Na0.05 O16 U3 W -","- Ag0.955 Na0.045 O16 U3 W -","- Ag3.82 Na0.18 O64 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0222","0.0213","","","0.0414","0.0417","","","","","","1.003","","","","has coordinates","265062","2021-05-10","06:42:01",""
"1562431","12.9292","0.0017","10.1219","0.0013","11.2918","0.0015","90","","101.788","0.001","90","","1446.6","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tl0.8Ag0.2(UO2)WO6(OH)(H2O)3","","","- Ag0.18 O16 Tl0.8 U3 W -","- Ag0.181 O16 Tl0.819 U3 W -","- Ag0.724 O64 Tl3.276 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0519","0.0438","","","0.0912","0.0952","","","","","","1.129","","","","has coordinates","265062","2021-05-10","06:42:03",""
"1562432","12.907","0.007","10.22","0.005","11.345","0.006","90","","101.496","0.006","90","","1466.5","1.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Na(UO2)WO6(OH)(H2O)4","sodium uranyl tungstate","","- Na O17 U3 W -","- Na1.01 O17 U3 W -","- Na4.04 O68 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.051","0.0405","","","0.08","0.085","","","","","","0.932","","","","has coordinates","265062","2021-05-10","06:42:03",""
"1562433","12.89","0.004","10.18","0.003","11.242","0.004","90","","102.187","0.003","90","","1441.9","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tl0.5K0.5(UO2)WO6(OH)(H2O)3","","","- K0.55 O16 Tl0.55 U3 W -","- K0.55 O16 Tl0.55 U3 W -","- K2.2 O64 Tl2.2 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0805","0.0585","","","0.1315","0.1388","","","","","","1.25","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562434","12.887","0.005","10.272","0.004","11.305","0.005","90","","101.914","0.006","90","","1464.3","1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","K(UO2)WO6(OH)(H2O)3","","","- K0.98 O17 Tl0.02 U3 W -","- K0.991 O17 Tl0.009 U3 W -","- K3.964 O68 Tl0.036 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0651","0.051","","","0.1071","0.1138","","","","","","0.998","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562435","13.148","0.002","9.5204","0.0017","11.083","0.002","90","","101.568","0.002","90","","1359.1","0.4","413","2","413","2","","","","","","","","4","C 1 c 1","C -2yc","9","Ag(UO2)3(WO6)(OH)(H2O)3","Silver uranyl tungstate'","","- Ag O16 U3 W -","- Ag O16 U3 W -","- Ag4 O64 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0253","0.0238","","","0.0501","0.0506","","","","","","0.945","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562436","12.983","0.004","10.191","0.003","11.263","0.004","90","","101.661","0.004","90","","1459.4","0.8","373","2","373","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cs(UO2)3(WO6)OH(H2O)3","Caesium uranyl tungstate","","- Cs O16 U3 W -","- Cs O16 U3 W -","- Cs4 O64 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0481","0.0458","","","0.1218","0.1253","","","","","","1.05","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562437","13.111","0.008","9.93","0.006","11.242","0.007","90","","101.024","0.007","90","","1436.6","1.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","K(UO2)3(WO6)OH(H2O)4","Potassium uranyl tungstate","","- K O16 U3 W -","- K O16 U3 W -","- K4 O64 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0338","0.0285","","","0.0565","0.0586","","","","","","1","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562438","12.94","0.002","10.231","0.002","11.259","0.002","90","","102.205","0.002","90","","1456.9","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Rb(UO2)3(WO6)(OH)(H2O)3.5","Rubidium uranyl tungstate","","- O33 Rb2 U6 W2 -","- O33 Rb2 U6 W2 -","- O66 Rb4 U12 W4 -","2","0.5","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0421","0.0394","","","0.091","0.0929","","","","","","1.043","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562439","12.979","0.003","10.238","0.002","11.302","0.002","90","","102.044","0.002","90","","1468.7","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","(UO2)3(WO6)(H2O)5","uranyl tungstate","","- O17 U3 W -","- O17 U3 W -","- O68 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0244","0.0242","","","0.0603","0.0605","","","","","","1.035","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562590","12.642","0.003","21.462","0.004","8.8461","0.0018","90","","125.2","0.03","90","","1961.3","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H23 Mn2 N O9 -","- C15 H23 Mn2 N O9 -","- C60 H92 Mn8 N4 O36 -","4","1","","Liu, Sui-Jun; Zeng, Yong-Fei; Hu, Xin; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang","Five new Mn(II)/Co(II) coordination polymers constructed from flexible multicarboxylate ligands with varying magnetic properties","Journal of Solid State Chemistry","2013","204","","197","204","10.1016/j.jssc.2013.05.027","","","0.71073","MoKα","","0.0652","0.0466","","","0.0714","0.0765","","","","","","1.063","","","","has coordinates","265269","2021-05-17","08:06:05",""
"1563002","29.26","0.005","14.698","0.005","24.363","0.005","90","0.005","123.822","0.005","90","0.005","8705","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H68 N16 O51 Sm2 W6 -","- C52 H68 N16 O51 Sm2 W6 -","- C208 H272 N64 O204 Sm8 W24 -","4","1","","Tang, Qun; Liu, Shu-Xia; Liang, Da-Dong; Ma, Feng-Ji; Ren, Guo-Jian; Wei, Feng; Yang, Yuan; Li, Cong-Cong","Lanthanide-organic complexes based on polyoxometalates: Solvent effect on the luminescence properties","Journal of Solid State Chemistry","2012","190","","85","91","10.1016/j.jssc.2012.02.006","","","0.71069","MoKα","","0.0716","0.0339","","","0.0407","0.0434","","","","","","0.758","","","","has coordinates","265630","2021-05-31","08:42:02",""
"1563374","17.4184","0.0015","10.2177","0.0008","18.5136","0.0016","90","","109.164","0.003","90","","3112.4","0.5","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","","- C34 H41 B F4 N2 P Rh -","- C34 H41 B F4 N2 P Rh -","- C136 H164 B4 F16 N8 P4 Rh4 -","4","1","WM4147","Rood, Jeffrey A.; Subedi, Chhatra B.; Risell, John P.; Astashkin, Andrei V.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","IUCrData","2021","6","6","x210597","","10.1107/S2414314621005976","","","0.71073","MoKα","","0.0164","0.0161","","","0.0404","0.0406","","","","","","1.045","","","","has coordinates,has Fobs","266416","2021-06-12","05:10:39",""
"1563525","27.999","0.003","15.9739","0.0014","14.4213","0.0016","90","","115.391","0.007","90","","5826.9","1.1","200","","200","","","","","","","","","7","C 1 c 1","C -2yc","9","","[Ag(L3)](CF3SO3)-1/2(CH3CN)-1/2(MeOH)-1/2(H2O)","","- C26.5 H25.5 Ag F3 N3.5 O7 S -","- C26.5 H25.5 Ag F3 N3.5 O7 S -","- C212 H204 Ag8 F24 N28 O56 S8 -","8","2","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, structures and properties of silver(I) complexes with flexible 1,3,5-tris(pyridylmethoxyl)benzene ligands","Journal of Solid State Chemistry","2010","183","9","2174","2182","10.1016/j.jssc.2010.07.036","","","0.71075","MoKα","","0.0753","0.045","","","0.0829","0.0867","","","","","","1.001","","","","has coordinates","266490","2021-06-16","09:13:30",""
"1563778","13.8868","0.0003","8.07687","0.00016","9.61096","0.00018","90","","100.898","0.0011","90","","1058.54","0.04","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Mo29.93 Pt21.02 Si17.05 -","- Mo29.932 Pt21.016 Si17.052 -","- Mo29.932 Pt21.016 Si17.052 -","1","0.25","","Joubert, J.-M.; Tokaychuk, Ya.; Černý, R.","Crystal structures of three intermetallic phases in the Mo‒Pt‒Si system","Journal of Solid State Chemistry","2010","183","1","173","179","10.1016/j.jssc.2009.11.006","powder diffraction","","0.40047","Synchrotron","","","","","","","","","6.2225","","","","","","","","has coordinates","266773","2021-06-29","10:09:23",""
"1564183","17.8379","0.0006","7.1589","0.0002","11.5293","0.0004","90","","118.005","0.005","90","","1299.89","0.09","297","2","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","potassium pentacyanonitrosylchromate(I) dihydrate","","- C5 H4 Cr K3 N6 O3 -","- C5 H4 Cr K3 N6 O3 -","- C20 H16 Cr4 K12 N24 O12 -","4","1","","Piro, Oscar E.; Echeverría, Gustavo A.; Navaza, Alda; Güida, Jorge A.","Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry","Inorganica Chimica Acta","2020","511","","119831","","10.1016/j.ica.2020.119831","","x-ray","0.71073","MoKα","","0.0299","0.0274","","","0.0645","0.0671","","","","","","1.081","","","","has coordinates","267591","2021-07-16","08:50:53",""
"1564271","23.946","0.005","12.861","0.003","24.517","0.005","90","","113.26","0.03","90","","6937","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C91 H83 Cu N2 O2 -","- C91 H83 Cu N2 O2 -","- C364 H332 Cu4 N8 O8 -","4","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0798","0.0613","","","0.1537","0.1696","","","","","","1.049","","","","has coordinates","267840","2021-07-31","01:49:54",""
"1564473","8.1878","0.0003","27.6088","0.001","9.0472","0.0003","90","","105.741","0.004","90","","1968.47","0.13","100.2","0.3","100.2","0.3","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H25.45 Cl1.708 I0.292 N4 O0.727 Pt -","- C18 H25.454 Cl1.708 I0.292 N4 O0.727 Pt -","- C72 H101.816 Cl6.832 I1.168 N16 O2.908 Pt4 -","4","1","","Keypour, Hassan; Ansari, Neda; Mahmoudabadi, Masoumeh; Karamian, Roya; Moazzami Farida, Seyed Hamed; Eslami Moghadam, Mahboube; William Gable, Robert","Mn(III), Zn(II) and Pt(II) macroacyclic complexes: Synthesis, X-ray structures, anticancer and antioxidant activities","Inorganica Chimica Acta","2020","509","","119705","","10.1016/j.ica.2020.119705","","x-ray","0.71073","MoKα","","0.023","0.0222","","","0.0542","0.0549","","","","","","1.023","","","","has coordinates,has disorder","268317","2021-08-31","08:00:10",""
"1564487","23.8266","0.0004","11.62179","0.00016","15.2014","0.0002","90","","106.68","0.0017","90","","4032.26","0.11","130","1","130","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C176 H160 N32 O32 -","16","4","","Banti, C.N.; Ketikidis, I.; Hadjikakou, S.K.; Hatzidimitriou, A.G.; Grześkiewicz, A.M.; Kubicki, M.; Hadjiliadis, N.","Study of penicillin degradation mechanism upon interaction with silver(I) ions","Inorganica Chimica Acta","2020","509","","119683","","10.1016/j.ica.2020.119683","","x-ray","1.54184","CuKα","","0.0535","0.0532","","","0.1417","0.1422","","","","","","1.029","","","","has coordinates","268328","2021-08-31","09:40:43",""
"1564585","16.6146","0.0016","7.5227","0.0007","18.9472","0.0017","90","","101.911","0.003","90","","2317.2","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H29 Cu N3 O5 -","- C22 H29 Cu N3 O5 -","- C88 H116 Cu4 N12 O20 -","4","1","","Liu, Chao; Chen, Ming-Xing; Li, Ming","Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands","Inorganica Chimica Acta","2020","508","","119639","","10.1016/j.ica.2020.119639","","","0.71073","MoKα","","0.0351","0.032","","","0.0813","0.0833","","","","","","1.055","","","","has coordinates","269024","2021-09-07","09:43:37",""
"1564616","12.2466","0.0002","57.6646","0.0007","14.161","0.0002","90","","93.395","0.001","90","","9982.9","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C119.88 H105.88 Cl4.25 N9.88 O4 -","- C119.875 H105.875 Cl4.25 N9.875 O4 -","- C479.5 H423.5 Cl17 N39.5 O16 -","4","1","","Sun, Qingqing; Escobar, Luis; de Jong, Jorn; Ballester, Pablo","Self-Assembly of a Water-Soluble Endohedrally Functionalized Coordination Cage Including Polar Guests","Chemical Science","2021","","","","","10.1039/D1SC03751J","","","0.71075","MoKα","","0.0885","0.0583","","","0.1335","0.1465","","","","","","1.009","","","","has coordinates,has disorder","269116","2021-09-13","22:15:28",""
"1564662","12.6059","0.0014","17.029","0.002","11.5334","0.0016","90","","97.402","0.013","90","","2455.2","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H21 Cl I N3 O3 -","- C26 H21 Cl I N3 O3 -","- C104 H84 Cl4 I4 N12 O12 -","4","1","","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","","0.0318","0.0287","","","0.0622","0.0643","","","","","","1.044","","","","has coordinates","269158","2021-09-15","22:10:19",""
"1564759","8.3002","0.0006","23.3365","0.0019","7.1702","0.0005","90","","113.14","0.002","90","","1277.11","0.17","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C52 H44 Cd4 N4 O24 -","4","1","","Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng","Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties","Inorganica Chimica Acta","2020","507","","119600","","10.1016/j.ica.2020.119600","","","0.71073","MoKα","","0.0341","0.0261","","","0.0467","0.0494","","","","","","0.976","","","","has coordinates","269369","2021-09-29","08:25:43",""
"1564844","9.1118","0.0002","45.0472","0.0012","10.0818","0.0003","90","","93.415","0.001","90","","4130.84","0.19","213","2","213","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H38 Cl F6 N7 O3 Ru S -","- C40 H38 Cl F6 N7 O3 Ru S -","- C160 H152 Cl4 F24 N28 O12 Ru4 S4 -","4","1","","Han, Jingqi; Cheng, Shun-Cheung; Yiu, Shek-Man; Tse, Man-Kit; Ko, Chi-Chiu","Luminescent Monomeric and Dimeric Ru(II) Acyclic Carbene Complexes as Selective Sensors for NH3/Amine Vapor and Humidity","Chemical Science","2021","","","","","10.1039/D1SC04074J","","","1.54178","CuKα","","0.0248","0.0237","","","0.0567","0.0572","","","","","","1.014","","","","has coordinates","269797","2021-10-06","22:17:05",""
"1565115","16.6705","0.0015","13.9677","0.0012","9.4774","0.0008","90","","93.11","0.002","90","","2203.5","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C120 H76 Cl4 N8 -","4","1","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.0963","0.0576","","","0.1189","0.1611","","","","","","1.134","","","","has coordinates","270290","2021-11-04","01:43:41",""
"1565394","53.94","0.02","6.826","0.003","24.457","0.009","90","","93.972","0.004","90","","8983","6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H15 Ag F3 N3 O2 S -","- C20.5 H15 Ag F1.5 N3 O3.5 S0.5 -","- C328 H240 Ag16 F24 N48 O56 S8 -","16","4","","Nwachukwu, Chideraa I.; Bosch, Eric","Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)","Inorganica Chimica Acta","2020","502","","119328","","10.1016/j.ica.2019.119328","","","0.71073","MoKα","","0.181","0.1159","","","0.2903","0.3346","","","","","","1.044","","","","has coordinates","270855","2021-11-24","09:52:29",""
"1565463","73.218","0.006","7.9782","0.0006","21.9591","0.0017","90","","99.829","0.001","90","","12639.1","1.7","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H39 Cl Ni O P2 S -","- C22 H39 Cl Ni O P2 S -","- C440 H780 Cl20 Ni20 O20 P40 S20 -","20","5","","Valderrama-García, Bianca X.; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simón; Aguilar-Castillo, Bethsy Adriana; Morales-Morales, David","Novel and facile procedure for the synthesis of Ni(II) and Pd(II) PSCOP pincer complexes. Evaluation of their catalytic activity on C-S, C-Se and C-C cross coupling reactions","Inorganica Chimica Acta","2020","502","","119283","","10.1016/j.ica.2019.119283","","","0.71073","MoKα","","0.0739","0.0612","","","0.1367","0.1446","","","","","","1.037","","","","has coordinates,has disorder","270943","2021-11-30","10:44:49",""
"1565587","46.3281","0.0016","18.1515","0.0006","14.1178","0.0005","90","","105.884","0.003","90","","11418.7","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H15 B3 F20 Fe N4 -","- C40 H15 B3 F20 Fe N4 -","- C480 H180 B36 F240 Fe12 N48 -","12","3","","Henkelmann, Marcel; Omlor, Andreas; Bolte, Michael; Schunemann, Volker; Lerner, Hans-Wolfram; Noga, Jozef; Hrobarik, Peter; Wagner, Matthias","A free boratriptycene-type Lewis superacid","Chemical Science","2021","","","","","10.1039/D1SC06404E","","","0.71073","MoKα","","0.0988","0.0619","","","0.1371","0.1589","","","","","","1.039","","","","has coordinates","271253","2021-12-07","23:14:07",""
"1565611","12.612","0.002","24.924","0.005","13.54","0.002","90","","101.727","0.003","90","","4167.3","1.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C128 H202 F8 Fe4 N24 O69 S4 -","- C128 H202 F8 Fe4 N24 O69 S4 -","- C128 H202 F8 Fe4 N24 O69 S4 -","1","0.25","","Huang, Yan-Ju; Zhang, Jun","Synthesis and characterization a series of Norfloxacin-transition metal complexes","Inorganica Chimica Acta","2020","501","","119244","","10.1016/j.ica.2019.119244","","","0.71073","MoKα","","0.2147","0.0822","","","0.1777","0.2326","","","","","","0.944","","","","has coordinates","271290","2021-12-09","09:09:58",""
"1565621","10.4688","0.0009","22.4668","0.0018","17.8123","0.0014","90","","95.062","0.002","90","","4173.1","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H52 N2 O4 Ru -","- C44 H52 N2 O4 Ru -","- C176 H208 N8 O16 Ru4 -","4","1","","Liu, Kang; Zhang, Junhua; Huo, Shuaicong; Dong, Qing; Hao, Zhiqiang; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Highly efficient oxidation of alcohols catalyzed by Ru(II) carbonyl complexes bearing salicylaldiminato ligands","Inorganica Chimica Acta","2020","500","","119224","","10.1016/j.ica.2019.119224","","","0.71073","MoKα","","0.0808","0.0537","","","0.1133","0.126","","","","","","1.026","","","","has coordinates,has disorder","271296","2021-12-09","10:07:01",""
"1565750","35.816","0.003","9.9959","0.0006","21.716","0.002","90","","122.602","0.003","90","","6549.6","0.9","273","2","273","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C49 H55 Cl9 Eu2 N10 O2 S8 -","- C49 H55 Cl9 Eu2 N10 O2 S8 -","- C196 H220 Cl36 Eu8 N40 O8 S32 -","4","1","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.0607","0.0578","","","0.148","0.1512","","","","","","1.047","","","","has coordinates","271403","2021-12-14","10:05:26",""
"1565907","5.7626","0.0001","21.7654","0.0003","36.032","0.0005","90","","91.845","0.001","90","","4516.98","0.12","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C216 H216 N8 O24 -","8","2","","Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao","Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines","Chemical Science","2022","13","3","775","780","10.1039/D1SC05629H","","x-ray","1.54184","CuKα","","0.0497","0.046","","","0.1235","0.1271","","","","","","1.034","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1566308","20.883","0.011","8.704","0.004","19.093","0.007","90","","123.59","0.03","90","","2891","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H32 B P S -","- C37 H32 B P S -","- C148 H128 B4 P4 S4 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0765","0.0526","","","0.1124","0.1255","","","","","","1.048","","","","has coordinates,has disorder","274969","2022-05-05","20:28:30",""
"1566408","8.7883","0.0001","12.6773","0.0002","10.4803","0.0002","90","","99.097","0.001","90","","1152.94","0.03","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian","Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis","Chemical Science","2022","","","","","10.1039/D2SC00147K","","x-ray","1.54184","CuKα","","0.0314","0.0314","","","0.0844","0.0845","","","","","","1.046","","","","has coordinates","273146","2022-02-24","23:10:03",""
"1566574","23.794","0.0011","5.347","0.0003","8.9367","0.0005","90","","96.216","0.004","90","","1130.3","0.1","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","1","","Pokhodylo, Nazariy T.; Slyvka, Yuriy I.; Goreshnik, Evgeny A.; Obushak, Mykola D.","Ethyl 5-Formyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and DFT Calculation","Molbank","2022","2022","1","M1340","","10.3390/M1340","","","1.54184","CuKα","","0.0347","0.0332","","","0.0887","0.0904","","","","","","1.072","","","","has coordinates","273459","2022-03-05","17:46:16",""
"1566915","7.9385","0.0001","19.9045","0.0002","15.3637","0.0001","90","","90.3","0.001","90","","2427.61","0.04","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H33 As Co O4 P Si2 -","- C16 H33 As Co O4 P Si2 -","- C64 H132 As4 Co4 O16 P4 Si8 -","4","1","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","x-ray","1.54184","CuKα","","0.0223","0.0219","","","0.0561","0.0564","","","","","","1.03","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1567100","5.7112","0.0016","23.177","0.008","10.865","0.004","90","","90.891","0.013","90","","1438","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","'5-(4-chlorophenyl)-4-cyclopropyl-2-(pyridin-2-yl)oxazole'","","- C17 H13 Cl N2 O -","- C17 H13 Cl N2 O -","- C68 H52 Cl4 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0525","0.0471","","","0.1145","0.1183","","","","","","1.094","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567140","28.3729","0.0011","6.5464","0.0002","7.3531","0.0003","90","","97.1","0.004","90","","1355.29","0.09","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H12 N4 Ni O4 S -","- C12 H12 N4 Ni O4 S -","- C48 H48 N16 Ni4 O16 S4 -","4","1","","González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław","Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates","New Journal of Chemistry","2022","46","31","14786","14792","10.1039/D2NJ01188C","powder diffraction","x-ray","1.5418","CuKα","","0.0461","0.0461","","0.0604","0.0604","","","","5.06","","","","","","","has coordinates","277676","2022-09-06","10:13:43",""
"1567262","18.473","0.005","5.439","0.002","10.481","0.003","90","","99.73","0.03","90","","1037.9","0.6","","","295","","","","","","","","","4","C 1 c 1","C -2yc","9","","Caesium orthoperiodate","","- Cs H9 I2 O12 -","- Cs I2 O12 -","- Cs4 I8 O48 -","4","1","","Shilov, G. V.; Dobrovol'skii, Yu. A.; Chernyak, A. V.; Leonova, L. S.; Zyubina, T. S.; Romanchenko, E. V.; Atovmyan, L. O.","Crystal Structure and Properties of Acid Salt of Orthoperiodic Acid CsH9I2O12","Russian Journal of Coordination Chemistry","2001","27","11","786","790","10.1023/A:1012515005705","","x-ray","","MoKα","","","0.058","","","","","","","","","","","","","","has coordinates","276729","2022-07-07","20:18:09",""
"1567552","14.0103","0.0013","35.603","0.003","11.376","0.0013","90","","117.174","0.003","90","","5048.1","0.9","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C252 H228 N12 O36 -","12","3","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","0.71073","MoKα","","0.1015","0.0729","","","0.2031","0.2247","","","","","","1.041","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567624","5.03","0.0003","20.5537","0.0012","16.8829","0.001","90","","97.379","0.002","90","","1730.99","0.18","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0829","0.0782","","","0.2076","0.2152","","","","","","1.076","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567888","12.3353","0.0002","12.2206","0.0003","32.2371","0.0008","90","","94.296","0.001","90","","4845.92","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H45 I8 N4 Pb2 -","- C32 H45 I8 N4 Pb2 -","- C128 H180 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0395","0.0388","","","0.1038","0.1045","","","","","","1.125","","","","has coordinates","281622","2023-03-04","18:50:41",""
"1567962","19.1244","0.0002","10.5054","0.0001","17.9999","0.0002","90","","94.926","0.001","90","","3602.99","0.07","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H60 Cl2 P2 Pd -","- C37 H60 Cl2 P2 Pd -","- C148 H240 Cl8 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0244","0.0244","","","0.0652","0.0653","","","","","","1.079","","","","has coordinates","279215","2022-11-10","23:16:23",""
"1568049","10.2297","0.0002","23.3116","0.0004","18.6778","0.0004","90","","101.213","0.002","90","","4369.08","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","[Ti(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Ti -","- C31 H69 Si8 Ti -","- C124 H276 Si32 Ti4 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.031","0.0279","","","0.0696","0.0708","","","","","","1.033","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568167","20.621","0.004","16.428","0.003","11.715","0.002","90","","93.68","0.03","90","","3960.4","1.3","100","2","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C42 H56 N10 -","- C42 H56 N10 -","- C168 H224 N40 -","4","1","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","1.54186","CuKα","","0.0563","0.0417","","","0.0934","0.0982","","","","","","1.017","","","","has coordinates","286129","2023-09-05","19:53:57",""
"1568220","18.5183","0.0003","9.4082","0.0001","20.3888","0.0002","90","","102.717","0.002","90","","3465.08","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H N O Pd -","- C3.26531 H3.10204 N0.489796 O0.163265 Pd0.163265 -","- C160 H152 N24 O8 Pd8 -","49","12.25","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp<sup>3</sup>)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","1.54184","CuKα","","0.0868","0.0843","","","0.2167","0.2221","","","","","","1.043","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568317","14.0493","0.0006","24.0246","0.0009","19.8466","0.0007","90","","92.615","0.004","90","","6691.8","0.4","113","","113","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74 H90 Fe Ge4 N4 O2 -","- C74 H90 Fe Ge4 N4 O2 -","- C296 H360 Fe4 Ge16 N16 O8 -","4","1","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0749","0.0505","","","0.0899","0.0996","","","","","","1.015","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568429","21.4197","0.0001","13.5245","0.0001","19.6839","0.0001","90","","103.151","0.001","90","","5552.7","0.06","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H88 Al Cu N4 Si2 -","- C53 H88 Al Cu N4 Si2 -","- C212 H352 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0278","0.0273","","","0.0729","0.0734","","","","","","1.023","","","","has coordinates,has disorder","282290","2023-04-04","09:59:17",""
"1568435","20.8885","0.0002","13.8728","0.0001","19.6118","0.0002","90","","101.347","0.001","90","","5572.06","0.09","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C57 H80 Al Cu N4 Si2 -","- C57 H80 Al Cu N4 Si2 -","- C228 H320 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.039","0.0371","","","0.0903","0.0921","","","","","","1.031","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568486","22.0386","0.0015","13.2446","0.0003","11.5475","0.0008","90","","137.586","0.013","90","","2273.4","0.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H31 N O6 -","- C24 H31 N O6 -","- C96 H124 N4 O24 -","4","1","","Li, Longbo; Matsuo, Bianca; Levitre, Guillaume; McClain, Edward J.; Voight, Eric A.; Crane, Erika A.; Molander, Gary A.","Dearomative intermolecular [2 + 2] photocycloaddition for construction of C(sp<sup>3</sup>)-rich heterospirocycles on-DNA.","Chemical science","2023","14","10","2713","2720","10.1039/d3sc00144j","","x-ray","1.54184","CuKα","","0.0415","0.0392","","","0.1042","0.1069","","","","","","1.079","","","","has coordinates","282282","2023-04-04","09:54:25",""
"1568535","27.6404","0.0007","15.2264","0.0003","24.752","0.0007","90","","123.939","0.004","90","","8642.5","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C55 H140 B6 La2 N4 O8 Si8 -","- C55 H140 B6 La2 N4 O8 Si8 -","- C220 H560 B24 La8 N16 O32 Si32 -","4","1","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0673","0.0536","","","0.1334","0.1415","","","","","","1.039","","","","has coordinates","282300","2023-04-04","10:03:06",""
"1568537","13.678","0.003","7.1156","0.0014","9.883","0.002","90","","91.07","0.03","90","","961.7","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H10 N2 O10 Zn -","- C4 H10 N2 O10 Zn -","- C16 H40 N8 O40 Zn4 -","4","1","","Xu, Xin; Yan, Bing","Bioinspired HOF-based luminescent skin sensor with triple mechanochromism responses for the recognition and collection of human biophysical signals.","Materials horizons","2023","10","6","2062","2074","10.1039/d3mh00096f","","","0.71073","MoKα","","0.055","0.0468","","","0.1206","0.1251","","","","","","1.023","","","","has coordinates","284984","2023-07-05","11:06:30",""
"1568554","8.0545","0.0002","27.2503","0.0006","18.9144","0.0005","90","","91.813","0.002","90","","4149.4","0.18","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H18.5 Cl N1.5 O2 P S -","- C23 H18.5 Cl N1.5 O2 P S -","- C184 H148 Cl8 N12 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0737","0.0467","","","0.0979","0.1029","","","","","","0.911","","","","has coordinates","281227","2023-03-02","07:55:49",""
"1568573","9.6931","0.0004","25.8093","0.0008","7.4931","0.0003","90","","102.745","0.004","90","","1828.38","0.12","113.15","","113.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H30 O2 -","- C23 H30 O2 -","- C92 H120 O8 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0613","0.0503","","","0.1148","0.1241","","","","","","1.031","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1569021","12.074","0.004","6.959","0.003","22.562","0.009","90","","90.017","0.013","90","","1895.7","1.3","250","","250","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H16 Cl6 N2 O6 -","- C10 H16 Cl6 N2 O6 -","- C40 H64 Cl24 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0361","0.0296","","","0.0613","0.0645","","","","","","1.057","","","","has coordinates","284900","2023-07-05","09:45:27",""
"1569052","10.09239","0.00018","17.0772","0.0003","18.2578","0.0003","90","","95.549","0.0017","90","","3131.98","0.09","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H55 B Li N3 Si3 -","- C21 H55 B Li N3 Si3 -","- C84 H220 B4 Li4 N12 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0501","0.0479","","","0.1382","0.1436","","","","","","1.126","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569173","36.4496","0.0007","12.44536","0.00009","20.2703","0.0004","90","","136.513","0.003","90","","6328","0.4","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C68 H99 Al K N5 O Si2 -","- C68 H99 Al K N5 O Si2 -","- C272 H396 Al4 K4 N20 O4 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0248","0.0239","","","0.0599","0.0606","","","","","","1.011","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569325","17.2704","0.0008","12.0396","0.0006","7.6022","0.0003","90","","108.934","0.002","90","","1495.19","0.12","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H15 Br2 N2 Sb -","- C13 H15 Br2 N2 Sb -","- C52 H60 Br8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0141","0.0137","","","0.033","0.0332","","","","","","1.033","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569557","44.2057","0.0009","7.381","0.0001","5.6064","0.0001","90","","92.306","0.002","90","","1827.79","0.06","298.5","0.7","298.5","0.7","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H30 O S -","- C19 H30 O S -","- C76 H120 O4 S4 -","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","","0.035","0.0347","","","0.0998","0.1001","","","","","","1.04","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569698","14.368","0.0006","7.1349","0.0001","13.7778","0.0005","90","","121.298","0.005","90","","1206.88","0.09","109","3","109","3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H11 Cd I3 N2 -","- C4 H11 Cd I3 N2 -","- C16 H44 Cd4 I12 N8 -","4","1","","Wu, Huai-Yu; Hu, Chun-Li; Xu, Miao-Bin; Chen, Qian-Qian; Ma, Nan; Huang, Xiao-Ying; Du, Ke-Zhao; Chen, Jin","From H<sub>12</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>4</sub> to H<sub>11</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>3</sub>: a highly polarizable CdNI<sub>3</sub> tetrahedron induced a sharp enhancement of second harmonic generation response and birefringence.","Chemical science","2023","14","35","9533","9542","10.1039/d3sc03052k","","x-ray","1.54184","CuKα","","0.0425","0.0424","","","0.1041","0.1043","","","","","","1.061","","","","has coordinates","286721","2023-10-05","23:53:32",""
"1569802","28.46","0.002","45.626","0.003","23.4507","0.0017","90","","91.944","0.003","90","","30434","4","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H52 N2 O4 S4 -","- C29 H52 N2 O4 S4 -","- C1044 H1872 N72 O144 S144 -","36","9","","Takashima, Rikito; Aoki, Daisuke; Kuwata, Shigeki; Otsuka, Hideyuki","Ring-chain equilibria of dynamic macrocycles with a bis(hindered amino)disulfide linker","Polymer Chemistry","2023","14","37","4344","4351","10.1039/D3PY00808H","","","0.71075","MoKα","","0.1071","0.0915","","","0.2342","0.2555","","","","","","1.05","","","","has coordinates,has disorder","286815","2023-10-06","00:53:48",""
"1569835","27.4763","0.0004","21.2915","0.0003","17.3843","0.0003","90","","105.576","0.0015","90","","9796.5","0.3","93","2","93","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C66 H126 Cu Mo9 N5 O39 P3 -","- C66 H126 Cu Mo9 N5 O39 P3 -","- C264 H504 Cu4 Mo36 N20 O156 P12 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0412","0.0381","","","0.1002","0.1024","","","","","","1.058","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569836","27.5817","0.0004","21.2628","0.0003","17.231","0.0003","90","","105.719","0.0018","90","","9727.4","0.3","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C65 H123 Mo9 N4 O37 P3 -","- C65 H123 Mo9 N4 O37 P3 -","- C260 H492 Mo36 N16 O148 P12 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0572","0.0465","","","0.1105","0.1155","","","","","","1.048","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569931","17.282","0.003","16.324","0.003","12.698","0.004","90","","131.754","0.002","90","","2672.4","1.1","173.15","","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","","- C26 H32 N4 Ni O6 -","- C26 H32 N4 Ni O6 -","- C104 H128 N16 Ni4 O24 -","4","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","IUCrData","2023","8","9","","","10.1107/S2414314623007885","","","0.71073","MoKα","","0.0711","0.0571","","","0.1352","0.1489","","","","","","1.047","","","","has coordinates","286485","2023-09-23","02:01:01",""
"1570067","18.0134","0.0002","8.6183","0.0001","11.0947","0.0001","90","","113.908","0.001","90","","1574.61","0.03","100","2","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H12 B F2 N3 O -","- C21 H12 B F2 N3 O -","- C84 H48 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.0819","0.0838","","","","","","1.055","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570223","20.9133","0.0009","9.6671","0.0003","17.8849","0.0007","90","","112.375","0.0012","90","","3343.6","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H41 Cs O6 -","- C39 H41 Cs O6 -","- C156 H164 Cs4 O24 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","x-ray","0.41329","Synchrotron","","0.0294","0.0266","","","0.0542","0.0548","","","","","","1.132","","","","has coordinates,has disorder","288771","2024-01-06","07:40:30",""
"1570345","8.6399","0.0004","25.3455","0.0011","8.6121","0.0003","90","","114.716","0.002","90","","1713.14","0.13","273","2","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","fluoro(mesityl)(2,3,4,5,6-pentamethylphenyl)borane","","- C20 H26 B F -","- C20 H26 B F -","- C80 H104 B4 F4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","synchrotron","","0.0458","0.041","","","0.106","0.1093","","","","","","1.0411","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570698","14.9152","0.0016","9.8681","0.0009","18.7455","0.0019","90","","111.468","0.004","90","","2567.6","0.5","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H27 F2 N3 O -","- C32 H27 F2 N3 O -","- C128 H108 F8 N12 O4 -","4","1","","Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong","Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling.","Chemical science","2024","15","6","2205","2210","10.1039/d3sc05210a","","x-ray","0.71073","MoKα","","0.064","0.0503","","","0.1114","0.1184","","","","","","1.075","","","","has coordinates","290121","2024-03-04","20:00:39",""
"1570771","15.3631","0.0005","11.8472","0.0003","22.4626","0.0007","90","","90.492","0.003","90","","4088.3","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H26 N2 O3 Si -","- C19 H26 N2 O3 Si -","- C152 H208 N16 O24 Si8 -","8","2","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","0.71073","MoKα","","0.0409","0.0364","","","0.0952","0.0988","","","","","","1.025","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570814","11.4874","0.0002","20.6397","0.0004","15.6705","0.0003","90","","92.13","0.002","90","","3712.85","0.12","100","2","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H32 B F15 N2 O2 -","- C42 H32 B F15 N2 O2 -","- C168 H128 B4 F60 N8 O8 -","4","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.027","0.0264","","","0.0684","0.0687","","","","","","1.059","","","","has coordinates","290133","2024-03-04","20:04:33",""
"1570824","21.5531","0.0009","11.2886","0.0005","19.1515","0.0008","90","","108.049","0.001","90","","4430.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H68 Al B Ho N7 -","- C43 H68 Al B Ho N7 -","- C172 H272 Al4 B4 Ho4 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0237","0.0216","","","0.0429","0.0438","","","","","","1.015","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570842","18.659","0.004","19.486","0.004","17.039","0.003","90","","122.41","0.03","90","","5230","3","253","2","253","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3D-DGIST-18","","- C49 H39 N5 O15 Zn2 -","- C49 H39 N5 O15 Zn2 -","- C196 H156 N20 O60 Zn8 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.0394","0.0387","","","0.1059","0.1066","","","","","","1.044","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570936","12.7885","0.0011","12.1016","0.0011","8.5117","0.0009","90","","105.467","0.01","90","","1269.6","0.2","113.15","","113.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H14 B F2 N O2 -","- C14 H14 B F2 N O2 -","- C56 H56 B4 F8 N4 O8 -","4","1","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.0446","0.0386","","","0.0971","0.1013","","","","","","1.018","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1570949","9.172","0.003","15.337","0.005","19.588","0.006","90","","103.464","0.01","90","","2679.7","1.5","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H38 B8 Os2 -","- C20 H38 B8 Os2 -","- C80 H152 B32 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0381","0.0343","","","0.074","0.0771","","","","","","1.114","","","","has coordinates,has disorder","290849","2024-04-04","22:49:32",""
"1570995","20.9009","0.0007","15.2585","0.0003","13.0302","0.0004","90","","123.873","0.005","90","","3450.2","0.3","200","0.1","200","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H30 F3 Mn N4 O10 S -","- C33 H30 F3 Mn N4 O10 S -","- C132 H120 F12 Mn4 N16 O40 S4 -","4","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","x-ray","1.54184","CuKα","","0.0305","0.029","","","0.0692","0.0703","","","","","","1.005","","","","has coordinates","290858","2024-04-04","22:51:51",""
"1571018","12.18","0.002","20.741","0.003","16.353","0.003","90","","110.644","0.003","90","","3865.9","1.1","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cl4 P2 Zn -","- C40 H40 Cl4 P2 Zn -","- C160 H160 Cl16 P8 Zn4 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing Efficient Broadband Near-Infrared Emission and Multimode Photoluminescence Switching via Coordination Structure Modulation in Sb3+ doped 0D Organic Metal Chlorides","Materials Horizons","2024","","","","","10.1039/D3MH01962D","","","0.71073","MoKα","","0.0662","0.0426","","","0.078","0.0874","","","","","","0.966","","","","has coordinates","289843","2024-02-16","03:00:49",""
"1571019","12.2339","0.0014","21.044","0.002","16.5713","0.0019","90","","112.272","0.002","90","","3948","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cd Cl4 P2 -","- C40 H40 Cd Cl4 P2 -","- C160 H160 Cd4 Cl16 P8 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing Efficient Broadband Near-Infrared Emission and Multimode Photoluminescence Switching via Coordination Structure Modulation in Sb3+ doped 0D Organic Metal Chlorides","Materials Horizons","2024","","","","","10.1039/D3MH01962D","","","0.71073","MoKα","","0.0377","0.0313","","","0.0741","0.0771","","","","","","1.059","","","","has coordinates","289843","2024-02-16","03:00:50",""
"1571241","30.2632","0.0014","17.8811","0.0008","14.5204","0.0007","90","","116.644","0.001","90","","7023.2","0.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H18 N4 O4 -","- C19 H18 N4 O4 -","- C304 H288 N64 O64 -","16","4","","","","","","","","","","10.1039/D3DT03096B","","x-ray","0.71073","MoKα","","0.061","0.0447","","","0.0971","0.1038","","","","","","1.01","","","","has coordinates","290467","2024-03-13","00:04:25",""
"1571305","11.361","0.004","20.063","0.007","9.862","0.004","90","","116.079","0.016","90","","2019","1.3","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel; Buma, Wybren Jan; Feringa, Ben L.","All-Visible-Light-Driven Stiff-stilbene Photoswitches","Chemical Science","2024","","","","","10.1039/D4SC00983E","","","0.71073","MoKα","","0.0843","0.0547","","","0.1097","0.1258","","","","","","1.026","","","","has coordinates","290698","2024-03-28","23:09:46",""
"1571313","4.4453","0.0006","8.1098","0.001","12.7463","0.0018","90","","90","","90","","459.51","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- As B F H4 N O4 -","- As B F H4 N O4 -","- As4 B4 F4 H16 N4 O16 -","4","1","","Bai, Zhiyong; Lee, Jihyun; Hu, Chun-Li; Zou, Guohong; Ok, Kang Min","Hydrogen bonding bolstered head-to-tail ligation of functional chromophores in a 0D SbF<sub>3</sub>·glycine adduct for a short-wave ultraviolet nonlinear optical material.","Chemical science","2024","15","17","6572","6576","10.1039/d4sc01353k","","x-ray","1.3405","GaKα","","0.0667","0.0616","","","0.1548","0.1764","","","","","","1.154","","","","has coordinates","291565","2024-05-05","01:37:30",""
"2000090","18.543","0.003","4.561","0.004","15.342","0.003","90","","129.14","0.01","90","","1006.38","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H16 N2 O8 P2 -","- C3 H16 N2 O8 P2 -","- C12 H64 N8 O32 P8 -","4","1","","Kamoun, S.; Jouini, A.; Daoud, A.; Durif, A.; Guitel, J. C.","Structure du diammonium-1,3 propane bis(dihydrogénomonophosphate)","Acta Crystallographica, Section C: Crystal Structure Communications","1992","48","1","133","135","10.1107/s0108270191008077","","","","","","","0.027","","","0.027","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000215","27.479","0.004","5.128","0.001","21.811","0.003","90","","139.35","0.01","90","","2002.2","0.7","","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C20 H24 Br N O6 -","- C20 H24 Br N O6 -","- C80 H96 Br4 N4 O24 -","4","1","AB0186","Arrieta, J. M.; Domínguez, E.; Lete, E.; Villa, M. J.; Germain, G.; Vlassi, M.; Prewo, R.; Bieri, J. H.","<i>N</i>-2-(2-Bromo-4,5-dimethoxyphenyl)-1-(2,3,4-trimethoxyphenyl)ethylformamide","Acta Crystallographica Section C","1991","47","10","2115","2118","10.1107/S0108270191003141","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000224","20.888","0.001","4.858","0.001","9.221","0.001","90","","99.888","0.005","90","","921.8","0.2","","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C7 H16 O7 -","- C7 H16 O7 -","- C28 H64 O28 -","4","1","AB0193","Kopf, J.; Morf, M.; Zimmer, B.; Bischoff, M.; Köll, P.","Structure of racemic perseitol (<small>D</small>,<small>L</small>-<i>glycero</i>-<small>D</small>,<small>L</small>-<i>galacto</i>-heptitol)","Acta Crystallographica Section C","1991","47","10","2186","2188","10.1107/S0108270191003724","","","1.54051","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000379","15.714","0.002","31.126","0.005","11.476","0.002","90","","96.51","0.02","90","","5576.9","1.5","","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C25 H24 O -","- C25 H24 O -","- C300 H288 O12 -","12","3","HA0099","Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V.","Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane","Acta Crystallographica Section C","1992","48","12","2203","2207","10.1107/S0108270192004141","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000774","10.827","0.004","8.395","0.002","12.997","0.002","90","","105.34","0.02","90","","1139.2","0.5","","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","HH0572","Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Lu, S.-P.","Three substituted hexahydro-5,8-dimethanonaphthalenes","Acta Crystallographica Section C","1992","48","7","1290","1294","10.1107/S0108270191014877","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000890","16.644","0.005","9.277","0.003","12.048","0.004","90","","109.8","0.03","90","","1750.3","1","","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C18 H20 F O4 P -","- C18 H20 F O4 P -","- C72 H80 F4 O16 P4 -","4","1","HA0058","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","852","855","10.1107/S0108270191012234","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000938","16.495","0.007","10.841","0.006","9.118","0.004","90","","104.03","0.03","90","","1581.9","1.3","130","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C10 H22 Cu N4 O9 -","- C10 H22 Cu N4 O9 -","- C40 H88 Cu4 N16 O36 -","4","1","AB1000","Noll, B. C.; Marusak, R. A.","Structure of aqua[<i>N</i>,<i>N</i>'-ethylenebis(<i>N</i>-carbamoylmethylglycinato)]copper(II) dihydrate","Acta Crystallographica Section C","1992","48","5","969","972","10.1107/S0108270192001781","","","0.71069","MoKα","","","0.0293","","","0.0352","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000947","10.698","0.002","25.533","0.004","7.315","0.002","90","","101.83","0.01","90","","1955.7","0.7","","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C16 H13 Cl4 Fe N4 -","- C16 H12 Cl4 Fe N4 -","- C64 H48 Cl16 Fe4 N16 -","4","1","GE0274","Barbaro, P.; Bianchini, C.; Fochi, M.; Masi, D.; Mealli, C.","Adduct of two 1,8-naphthyridine molecules (one protonated) with tetrachloroferrate (III)","Acta Crystallographica Section C","1992","48","4","625","627","10.1107/S0108270191011149","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000963","9.19","0.006","19.485","0.012","9.57","0.006","90","","103.66","0.05","90","","1665.2","1.9","","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C19 H21 O2 P -","- C21 H21 O2 P -","- C84 H84 O8 P4 -","4","1","AB0234","Steel, P. J.; Battiste, M. A.; Campbell, C. R.","Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols","Acta Crystallographica Section C","1992","48","4","690","693","10.1107/S0108270191010430","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000964","9.24","0.004","19.529","0.008","9.736","0.006","90","","103.88","0.04","90","","1705.5","1.5","","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C19 H21 O3 P -","- C19 O4 P -","- C76 O16 P4 -","4","1","AB0234","Steel, P. J.; Battiste, M. A.; Campbell, C. R.","Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols","Acta Crystallographica Section C","1992","48","4","690","693","10.1107/S0108270191010430","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000967","25.442","0.008","10.051","0.003","27.062","0.01","90","","94.5","0.1","90","","6899","4","","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C73 H108 O12 -","- C73 H108 O12 -","- C292 H432 O48 -","4","1","GE0280","Millini, R.; Del Piero, G.; Bracci, M.","Structure of 1,3,4,5-neopentanetetrayl tetrakis[3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propionate]","Acta Crystallographica Section C","1992","48","4","696","699","10.1107/S0108270191010557","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000970","29.027","0.007","7.26","0.02","5.917","0.003","90","","101.38","0.03","90","","1222","3","","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C15 H11 Br O -","- C15 H11 Br O -","- C60 H44 Br4 O4 -","4","1","CR0360","Li, Z.; Pa, F.; Su, G.","Structure of 4-bromochalcone","Acta Crystallographica Section C","1992","48","4","712","714","10.1107/S0108270191011137","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001164","25.767","0.002","13.897","0.002","19.867","0.004","90","","126.91","0.01","90","","5688.3","1.7","293","","","","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C58 H80 O10 -","- C58 H80 O10 -","- C232 H320 O40 -","4","1","PA1034","Guelzim, A.; Khrifi, S.; Baert, F.; Asfari, Z.; Vicens, J.","Structure of diethyl 5,11,17,23-tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate)","Acta Crystallographica Section C","1993","49","12","2121","2124","10.1107/S010827019300349X","","","1.5418","CuKα","","","0.062","","","0.062","","","","","2.31","2.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001199","13.518","0.009","21.496","0.01","20.055","0.01","90","","99.56","0.04","90","","5747","6","299","1","299","1","","","","","","","","5","C 1 c 1","C -2yc","9","","Ethylenediammonium catena-Poly[μ-(2-pyridinecarboxylato-κN,κO:κO')- -tris(pyridinecarboxylato-κN,κO)holmate] Hexahydrate","","- C50 H54 Ho2 N10 O22 -","- C50 H45 Ho2 N10 O22 -","- C200 H180 Ho8 N40 O88 -","4","1","AB1068","Starynowicz, P.","Structure of ethylenediammonium <i>catena</i>-poly[tris(2-pyridinecarboxylato-κ<i>N</i>,κ<i>O</i>)holmate-μ-2-pyridinecarboxylato-κ<i>N</i>,κ<i>O</i>:κ<i>O</i>']hexahydrate","Acta Crystallographica Section C","1993","49","11","1895","1897","10.1107/S0108270193004603","","","0.71069","MoKα","","","0.0308","","","0.0305","","","","","","","","","","","has coordinates","191092","2020-10-21","18:00:00",""
"2001391","16.45","0.002","9.781","0.002","17.818","0.002","90","","110.78","0.01","90","","2680.4","0.7","293","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C24 H27 N4 O7 P3 -","- C26 H39 N4 O7 P3 -","- C104 H156 N16 O28 P12 -","4","1","SH1027","Engelhardt, U.; Stromburg, B.","Phosphor(V)-Hydrazin-Sauerstoff-Achtring mit Boot-Sessel-Konformation","Acta Crystallographica Section C","1993","49","9","1643","1646","10.1107/S0108270193001271","","","0.71069","MoKα","","","0.044","","","0.023","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001405","17.231","0.009","9.955","0.006","7.611","0.003","90","","113.7","0.5","90","","1195","5","293","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C9 H14 N6 S -","- C9 H14 N6 S -","- C36 H56 N24 S4 -","4","1","DU1035","Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.","Structure of 5-[1-(diaminomethylenehydrazono)ethyl]-4-methyl-2-methylthiopyrimidine","Acta Crystallographica Section C","1993","49","9","1670","1673","10.1107/S0108270193002367","","","1.5418","CuKα","","","0.0384","","","0.0364","","","","","0.93","0.93","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001444","17.792","0.018","16.491","0.018","24.28","0.04","90","","94.01","0.1","90","","7107","16","293","","","","","","","","","","","7","C 1 c 1","C -2yc","","","","","- C40 H27 Cu2 N9 O0.5 S0.9 Se1.1 -","- C40 Cu2 N10 O0.5 Se2 -","- C320 Cu16 N80 O4 Se16 -","8","2","KA1017","Dunaj-Jurčo, M.; Kabešová, M.; Kettmann, V.; Císařová, I.; Mikloš, D.","Structure of a mixed-valence copper complex with 1,10-phenanthroline and pseudohalogenide ligands","Acta Crystallographica Section C","1993","49","8","1476","1479","10.1107/S0108270193000745","","","0.71069","MoKα","","","0.065","","","0.056","","","","","2.16","2.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001548","14.434","0.006","9.637","0.002","14.398","0.007","90","","96.34","0.02","90","","1990.5","1.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(p-Toluenesulfonyl)-3,4:7,8-dibenzotricyclo[3.3.2.0^2,6^]decane","","- C25 H22 O3 S -","- C25 H22 O3 S -","- C100 H88 O12 S4 -","4","1","AL1032","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, A.; Caubère, P.","Synthesis and structure of new families of potential antitumor or antiviral agents. II. 1-(<i>p</i>-Toluenesulfonyloxy)-3,4:7,8-dibenzotricyclo[3.3.2.0^2,6^]decane","Acta Crystallographica Section C","1993","49","7","1384","1388","10.1107/S0108270192012782","","","1.54178","CuKᾱ","","0.1048","0.0655","","0.1849","0.1394","","","","0.864","1.098","1.098","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001704","14.863","0.003","15.751","0.003","11.94","0.003","90","","122.51","0.01","90","","2357.2","0.9","213","1","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C26 H34 O2 Sn -","- C26 H34 O2 Sn -","- C104 H136 O8 Sn4 -","4","1","SH1008","Reuter, H.; Schröder, D.","Triphenyltin(IV) isobutoxide isobutanol solvate","Acta Crystallographica Section C","1993","49","5","954","956","10.1107/S0108270192011569","","","0.71","MoKα","","","0.023","","","0.062","","","","","1.029","1.029","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001738","12.135","0.002","13.572","0.001","8.75","0.001","90","","118.37","0.01","90","","1268","0.3","293","","","","","","","","","","","6","C 1 c 1","C -2yc","","","","","- C10 H10 Cl N3 O2 S -","- C10 H10 Cl N3 O2 S -","- C40 H40 Cl4 N12 O8 S4 -","4","1","LI1029","Iulek, J.; Zukerman-Schpector, J.; Barreiro, E. J.; Freitas, A. C. C.","Structures of pyrazole derivatives. II. A potential bioisoster of acetazolamide","Acta Crystallographica Section C","1993","49","5","1015","1017","10.1107/S0108270192011090","","","0.70926","MoKα","","","0.043","","","0.044","","","","","1.53","1.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001908","13.138","0.002","13.897","0.002","21.912","0.002","90","","91.77","0.02","90","","3998.8","0.9","296","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C24 H14 F6 O3 -","- C24 F6 O3 -","- C192 F48 O24 -","8","2","AL1014","Barlow, M. G.; Beagley, B.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.; Wright, A. P.","Structures of two (1:1) adducts of [α,α-bis(3,3,3-trifluoropropynyl)]benzyl benzoate and furan","Acta Crystallographica Section C","1993","49","3","595","598","10.1107/S0108270192010199","","","0.71069","MoKα","","","0.085","","","0.059","","","","","5.89","5.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001944","27.073","0.007","6.145","0.002","11.605","0.004","90","","107.24","0.03","90","","1843.9","1","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H30 N2 Ni O7 -","- C14 H30 N2 Ni O7 -","- C56 H120 N8 Ni4 O28 -","4","1","CD0088","Haendler, H. M.","<i>cis</i>-[Diaquabis(1-aminocyclohexanecarboxylato)nickel(II)]‒water (1/1)","Acta Crystallographica Section C","1993","49","2","238","241","10.1107/S0108270192005985","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2001998","9.082","0.002","31.835","0.007","9","0.002","90","","119.44","0.01","90","","2266.1","0.9","130","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C11 H10 Cu N3 -","- C11 H10 Cu N3 -","- C88 H80 Cu8 N24 -","8","2","AL1021","Olmstead, M. M.; Speier, G.; Szabó, L.","Structure of [Cu(CN)(py)~2~]","Acta Crystallographica Section C","1993","49","2","370","372","10.1107/S0108270192009326","","","0.71073","MoKα","","","0.032","","","0.035","","","","","1.6","1.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002145","13.099","0.003","5.714","0.001","7.52","0.002","90","","123.8","0.03","90","","467.7","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Dilead tellurate","","- O5 Pb2 Te -","- O5 Pb2 Te -","- O20 Pb8 Te4 -","4","1","","Wedel, B; Wulff, L; Mueller-Buschbaum, Hk","Isolierte 1/infinite(TeO5)-Oktaederketten im Bleitellurat Pb2 Te O5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","287","290","","","","","","","0.1252","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002251","5.846","","11.579","","12.707","","90","","93.74","","90","","858.3","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Dibarium manganate(II)","","- Ba2 Mn O3 -","- Ba2 Mn O3 -","- Ba16 Mn8 O24 -","8","2","","Sander, K; Mueller-Buschbaum, Hk","Synthese und Aufbau von Ba2 Mn O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","478","","52","56","10.1002/zaac.19814780706","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002263","11.657","","7.34","","13.471","","90","","115.6","","90","","1039.5","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Tristrontium tetralanthanum oxide","","- La4 O9 Sr3 -","- La3.9998 O9 Sr3.0002 -","- La15.9992 O36 Sr12.0008 -","4","1","","Schulze, A R; Mueller-Buschbaum, Hk","Darstellung und Untersuchung der metastabilen Verbindung Sr3 La4 O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","471","","59","63","10.1002/zaac.19804710106","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002273","11.474","","7.238","","13.246","","90","","115.6","","90","","992.1","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Tristrontium tetraneodymium oxide","","- Nd4 O9 Sr3 -","- Nd4 O9 Sr3 -","- Nd16 O36 Sr12 -","4","1","","Schulze, A R; Mueller-Buschbaum, Hk","Ein Beitrag zur Verbindung Sr3 Nd4 O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","461","","48","52","10.1002/zaac.19804610108","","","","","","0.107","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002410","11.468","0.024","7.262","0.017","13.218","0.024","90","","115.61","0.18","90","","992.7","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Tristrontium tetrapraseodymium oxide","","- O9 Pr4 Sr3 -","- O9 Pr3.9998 Sr3.0002 -","- O36 Pr15.9992 Sr12.0008 -","4","1","","Mueller-Buschbaum, Hk; Boehlke, A","Metastabile Oxometallate der Lanthanoidmetalle: Zur Kenntnis von Sr3 Pr4 O9 und Sr3 La2 Sm2 O9. Mit einem Beitrag ueber Sr Pr2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","212","218","10.1002/zaac.19875531025","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002411","11.518","0.011","7.263","0.006","13.29","0.007","90","","115.61","0.05","90","","1002.6","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Tristrontium dilanthanum disamarium oxide","","- La2 O9 Sm2 Sr3 -","- La1.9999 O9 Sm1.9999 Sr3.0002 -","- La7.9996 O36 Sm7.9996 Sr12.0008 -","4","1","","Mueller-Buschbaum, Hk; Boehlke, A","Metastabile Oxometallate der Lanthanoidmetalle: Zur Kenntnis von Sr3 Pr4 O9 und Sr3 La2 Sm2 O9. Mit einem Beitrag ueber Sr Pr2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","212","218","10.1002/zaac.19875531025","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002811","9.866","0.003","15.332","0.004","7.172","0.002","90","","111.34","0.03","90","","1010.5","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Trilead diferro(III)ditellurate","","- Fe2 O12 Pb3 Te2 -","- Fe2 O12 Pb3 Te2 -","- Fe8 O48 Pb12 Te8 -","4","1","","Mueller-Buschbaum, Hk; Wedel, B","Ueber die Kristallchemie der Tellurate Pb3 Fe2 Te2 O12 und Pb2 Co Te O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","35","39","","","","","","","0.0529","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003026","16.3224","0.0015","11.243","0.002","9.919","0.001","90","","115.972","0.011","90","","1636.4","0.4","150","","150","","","","","","","","","3","C 1 c 1","C -2yc","9","","Potassium disilicate","","- K2 O5 Si2 -","- K2 O5 Si2 -","- K24 O60 Si24 -","12","3","NA0083","de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; Nachtegaal, G.; Fischer, J. C.","Mixed Alkali Systems: Structure and ^29^Si MASNMR of Li~2~Si~2~O~5~ and K~2~Si~2~O~5~","Acta Crystallographica Section B","1998","54","5","568","577","10.1107/S0108768198001062","","","0.71073","MoKα","","0.038","0.038","","0.079","","0.079","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003264","12.514","0.005","7.433","0.004","13.956","0.006","90","","114.86","0.03","90","","1177.9","1","150","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetraethylammonium perchlorate","","- C8 H20 Cl N O4 -","- C8 H20 Cl N O4 -","- C32 H80 Cl4 N4 O16 -","4","1","HU1122","Kivikoski, J.; Howard, J. A. K.; Kelly, P.; Parker, D.","Tetraethylammonium Perchlorate at 150 K","Acta Crystallographica Section C","1995","51","3","535","536","10.1107/S0108270194008619","","","0.71073","MoKα","","","0.0489","","","0.0517","","","","","","","","","","","has coordinates","190394","2020-10-21","18:00:00",""
"2003475","14.904","0.004","12.434","0.002","8.645","0.003","90","","93.12","0.02","90","","1599.7","0.7","293","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H10 Fe N2 Na O10 -","- C14 H10 Fe N2 Na O10 -","- C56 H40 Fe4 N8 Na4 O40 -","4","1","MU1094","Cousson, A.; Nectoux, F.; Robert, F.; Rizkalla, E. N.","Sodium Bis(dipicolinato)ferrate(III) Dihydrate","Acta Crystallographica Section C","1995","51","5","838","840","10.1107/S0108270194005561","","","0.71073","MoKα","","","0.0306","","","0.0343","","","","","1.08","1.08","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003500","8.174","0.001","7.228","0.001","36.114","0.003","90","","86.96","0.01","90","","2130.7","0.4","293","","","","","","","","","","from ethanol/nitromethane (20/80 v/v)","5","C 1 c 1","C -2yc","9","","","","- C21 H35 Cl N2 O -","- C21 H35 Cl N2 O -","- C84 H140 Cl4 N8 O4 -","4","1","PA1122","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","5-Dodecyl-2-(1-hydroxyethyl)benzimidazolium Chloride","Acta Crystallographica Section C","1995","51","5","893","894","10.1107/S0108270194011273","","","1.5418","CuKα","","","0.0463","","","0.0541","","","","","1.725","1.725","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003504","20.709","0.003","7.777","0.0014","17.276","0.003","90","","143.279","0.005","90","","1663.6","0.5","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","C 1 c 1","C -2yc","9","","3-methyl-4H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide","","- C7 H7 N3 O2 S -","- C7 H7 N3 O2 S -","- C56 H56 N24 O16 S8 -","8","2","PA1150","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[3,2-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","5","944","946","10.1107/S0108270194013569","","","1.5418","CuKα","","0.0274","0.0268","","0.0693","0.0691","","","","1.108","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003507","10.197","0.007","10.623","0.001","20.08","0.003","90","","101.53","0.02","90","","2131.2","1.5","293","2","","","","","","","","","Synthese, Kristallisation aus CH~3~OH","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N9 O7 -","- C19 H21 N9 O7 -","- C76 H84 N36 O28 -","4","1","SH1092","Gzella, A.; Wrzeciono, U.","Azoles. 38. Struktur der Molekularverbindung von 3,5-Dinitroindazol, 5-Nitro-3-piperazinoindazol und Methanol","Acta Crystallographica Section C","1995","51","5","963","967","10.1107/S0108270194008954","","","1.54178","CuKα","","","0.0889","","","0.0947","","","","","1.8529","1.8529","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2003521","15.037","0.003","9.913","0.001","12.547","0.002","90","","91.29","0.01","90","","1869.8","0.5","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","2-bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","","- C25 H17 Br O2 -","- C25 H17 Br O2 -","- C100 H68 Br4 O8 -","4","1","AS1150","Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T.","Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","Acta Crystallographica Section C","1995","51","6","1148","1152","10.1107/S0108270194013806","","","0.7107","MoKα","","","0.035","","","0.035","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003525","12.39","0.001","8.245","0.002","13.732","0.001","90","","121.543","0.009","90","","1195.5","0.3","295","","","","","","","","","","Prepared by authors","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.025","","","0.0332","","","","","1.415","1.415","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2003533","4.514","0.002","24.87","0.01","13.054","0.004","90","","97.41","0.03","90","","1453.2","1","288","","","","","","","","","","synthesized per article, recrystallized from mesi","5","C 1 c 1","C -2yc","9","","","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C64 H60 Br4 N8 O8 -","4","1","CR1107","Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.","Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)","Acta Crystallographica Section C","1995","51","6","1189","1193","10.1107/S0108270194011005","","","0.71073","MoKα","","","0.048","","","0.0951","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003596","12.258","0.007","22.289","0.004","13.297","0.006","90","","104.64","0.04","90","","3515","3","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H44 Cl2 N2 O13 -","- C30 H44 Cl2 N2 O13 -","- C120 H176 Cl8 N8 O52 -","4","1","PA1136","Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.","The Water Inclusion Complex of a Fluorescent Diprotonated Anthracenocryptand","Acta Crystallographica Section C","1995","51","6","1218","1221","10.1107/S0108270194013570","","","0.71073","MoKα","","","0.061","","","0.056","","","","","1.47","1.47","","","","","has coordinates","198441","2020-10-21","18:00:00",""
"2003889","6.591","0.004","12.222","0.002","17.254","0.004","90","","96.78","0.03","90","","1380.2","0.9","293","","293","","","","","","","","Crystals were obtained by slow evaporation of an aqueous solution that was 0.64 M in each of zinc(II) chloride, hydrochloric acid and purine.","5","C 1 c 1","C -2yc","9","","Dichlorobis(purine)zinc(II)","","- C10 H8 Cl2 N8 Zn -","- C10 H8 Cl2 N8 Zn -","- C40 H32 Cl8 N32 Zn4 -","4","1","FG1031","Laity, H. L.; Taylor, M. R.","Dichlorobis(purine)zinc(II)","Acta Crystallographica Section C","1995","51","9","1791","1793","10.1107/S0108270195004227","","","0.71073","MoKα","","0.047","0.04","","0.034","0.033","","","","1.391","1.443","1.443","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003913","13.291","0.002","16.973","0.003","8.741","0.001","90","","114.16","0.01","90","","1799.1","0.5","293","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H15 F3 N4 O -","- C19 H15 F3 N4 O -","- C76 H60 F12 N16 O4 -","4","1","KA1108","Karolak-Wojciechowska, J.; Trzezwinska, H. B.; Lange, J.; Wieczorek, M.","Bicyclic [<i>b</i>]-Heteroannulated Pyridazine Derivatives. 3. Partially Hydrogenated Triazolo[4,3-<i>b</i>]pyridazines","Acta Crystallographica Section C","1995","51","9","1829","1832","10.1107/S0108270195002848","","","1.54178","CuKα","","","0.053","","","0.059","","","","","6.3","6.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003996","12.326","0.003","7.088","0.002","12.365","0.003","90","","110.08","0.02","90","","1014.6","0.5","293","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cd4 Ge S6 -","- Cd4 Ge S6 -","- Cd16 Ge4 S24 -","4","1","DU1119","Julien-Pouzol, M.; Jaulmes, S.","Redétermination de la Structure du Sulfure de Cadmium et de Germanium, Cd~4~GeS~6~","Acta Crystallographica Section C","1995","51","10","1966","1968","10.1107/S0108270195003763","","","0.71069","MoKα","","","0.0407","","","0.0508","","","","","0.28","0.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004039","49.34","0.01","10.675","0.002","9.372","0.002","90","","98.22","0.02","90","","4885.6","1.7","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","C 1 c 1","C -2yc","9","","1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]- 1H-benzimidazol-2-amine","","- C28 H31 F N4 O -","- C28 H31 F N4 O -","- C224 H248 F8 N32 O8 -","8","2","NA1156","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","1-[(4-Fluorophenyl)methyl]-<i>N</i>-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl}-1<i>H</i>-benzimidazol-2-amine (Astemizole)","Acta Crystallographica Section C","1995","51","10","2132","2135","10.1107/S0108270195004331","","","1.54184","CuKα","","0.0547","0.0396","","0.1225","0.1065","","","","1.054","1.067","1.067","","","","","has coordinates","198442","2020-10-21","18:00:00",""
"2004105","22.031","0.018","14.474","0.018","6.002","0.005","90","","90.42","0.1","90","","1914","3","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-[3'-(4-bromophenyl)-1'-phenylpyrazol-5'-yl] 2H-1-benzopyran-2-one","","- C24 H15 Br N2 O2 -","- C24 H15 Br N2 O2 -","- C96 H60 Br4 N8 O8 -","4","1","CF1011","Singh, S. K.; Kumar, N.; Malhotra, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.","3-[3-(4-Bromophenyl)-1-phenylpyrazol-5-yl]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section C","1995","51","11","2406","2407","10.1107/S0108270195007438","","","0.71073","MoKα","","0.0832","0.0832","","0.1623","0.1623","","","","1.062","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004264","13.2","0.003","15.0884","0.0013","16.57","0.005","90","","105.869","0.01","90","","3174.4","1.2","298","2","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","bromotriphenyltin.triphenylphosphine oxide","","- C36 H30 Br O P Sn -","- C36 H30 Br O P Sn -","- C144 H120 Br4 O4 P4 Sn4 -","4","1","JZ1056","Ng, S. W.","Bromotriphenyltin‒Triphenylphosphine Oxide (1/1)","Acta Crystallographica Section C","1995","51","12","2563","2565","10.1107/S0108270195007359","","","0.71073","MoKα","","0.0607","0.044","","0.1139","0.1034","","","","1.055","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004592","6.255","0.001","30.059","0.004","7.425","0.001","90","","113.95","0.02","90","","1275.8","0.4","295","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H11 I N2 S -","- C12 H11 I N2 S -","- C48 H44 I4 N8 S4 -","4","1","CR1172","Tafeenko, V. A.; Schenk, H.; Paseshnichenko, K. A.; Aslanov, L. A.","7-Methyl-6-phenylimidazo[2,1-<i>b</i>]thiazolium Iodide","Acta Crystallographica Section C","1996","52","3","729","731","10.1107/S0108270195006561","","","0.71073","MoKα","","","0.019","","","0.021","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004624","12.108","0.007","7.277","0.003","10.835","0.009","90","","107.58","0.05","90","","910.1","1","294","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","N-n-ethyl-N,N-dimethylammonio acetic acid bromide","","- C6 H14 Br N O2 -","- C6 H14 Br N O2 -","- C24 H56 Br4 N4 O8 -","4","1","KA1118","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","<i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide","Acta Crystallographica Section C","1996","52","3","648","652","10.1107/S0108270195011541","","","0.71073","MoKα","","","0.052","","","0.061","","","","","1.354","1.354","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2004718","5.964","0.003","27.04","0.02","11.376","0.006","90","","94.42","0.05","90","","1829.1","1.9","293","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H23 Ag N2 O S4 W -","- C9 H23 Ag N2 O S4 W -","- C36 H92 Ag4 N8 O4 S16 W4 -","4","1","DE1020","Huang, Q.; Wu, X.; Wang, Q.; Sheng, T.","The Polymeric Cluster Complex {[(CH~3~CH~2~)~3~NH][WAgS~4~].(DMF)}~<i>n~</i>","Acta Crystallographica Section C","1996","52","4","795","797","10.1107/S0108270195013758","","","0.71069","MoKα","","","0.0448","","","0.0498","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004747","5.054","0.001","14.747","0.005","12.568","0.003","90","","92.88","0.02","90","","935.5","0.4","295","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.056","","","0.056","","","","","1.184","1.184","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004748","4.8853","0.001","15.68","0.004","12.793","0.003","90","","92.21","0.02","90","","979.2","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","p-propanamidoperbenzoic","p-propanamidoperbenzoic acid","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","0.0855","0.0412","","0.1339","0.118","","","","0.827","0.977","0.977","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004771","16.013","0.006","11.86","0.006","9.643","0.002","90","","98.5","0.02","90","","1811.2","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2'-[(1,2-cyclohexanediyl)bis(nitrilomethylidyne)]bisphenol","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","KA1152","Cannadine, J. C.; Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminocyclohexane","Acta Crystallographica Section C","1996","52","4","1014","1017","10.1107/S0108270195014090","","","0.71073","MoKα","","0.0484","0.0436","","0.1219","0.1071","","","","1.022","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004783","12.67","0.01","15.73","0.01","17.471","0.009","90","","102.76","0.05","90","","3396","4","150","","423.2","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H44 Cl2 O2 P4 Pt -","- C31 H44 Cl2 O2 P4 Pt -","- C124 H176 Cl8 O8 P16 Pt4 -","4","1","MU1219","Chiffey, A. F.; Evans, J.; Levason, W.; Reid, G.","[Pt(PMe~3~)~2~(dppm)]Cl~2~.2H~2~O [dppm = Bis(diphenylphosphino)methane]","Acta Crystallographica Section C","1996","52","4","799","801","10.1107/S0108270195014570","","","0.71073","MoKα","","0.097","0.071","","0.083","0.08","","","","4.07","4.28","4.28","","","","","has coordinates","208382","2020-10-21","18:00:00",""
"2005266","18.508","0.005","6.24","0.009","28.128","0.006","90","","94.57","0.02","90","","3238","5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","trimethylsilyl N-phenyl N-tert-buthyl carbamate","","- C14 H23 N O2 Si -","- C14 H23 N O2 Si -","- C112 H184 N8 O16 Si8 -","8","2","KA1195","Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.","Two <i>N</i>-Aryl-Substituted Silyl Carbamates","Acta Crystallographica Section C","1996","52","8","2063","2066","10.1107/S0108270196006439","","","1.54178","CuKα","","0.1177","0.0434","","0.1435","0.1027","","","","1.082","1.093","1.093","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005630","13.061","0.001","18.9771","0.0015","9.3473","0.0009","90","","127.004","0.006","90","","1850.2","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Chromium(III)-trimetaphosphate","","- Cr O9 P3 -","- Cr O9 P3 -","- Cr12 O108 P36 -","12","3","JZ1135","Gruss, M.; Glaum, R.","Refinement of the Superstructure of <i>C</i>-Type Chromium(III) Tris(metaphosphate), Cr(PO~3~)~3~","Acta Crystallographica Section C","1996","52","11","2647","2650","10.1107/S0108270196007056","","","0.71073","MoKα","","0.0306","0.0208","","0.0602","0.0572","","","","1.093","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005672","20.19","0.004","5.388","0.002","22.728","0.003","90","","107.502","0.011","90","","2358","1","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-octyloxybiphenyl-4'-yl 4-Methoxybenzoate","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","1","OA1004","Hori, K.; Nishiura, Y.","4-Octyloxybiphenyl-4'-yl 4-Methoxybenzoate","Acta Crystallographica Section C","1996","52","11","2922","2924","10.1107/S0108270196008517","","","1.5418","CuKα","","0.0505","0.0434","","0.1302","0.1259","","","","1.082","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005747","13.904","0.002","17.525","0.002","13.406","0.002","90","","95.964","0.006","90","","3248.9","0.8","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(N,N-diethyldithiocarbamato-S,S')nickel(IV) 1,1,2,3,3-pentacyanopropenide","","- C23 H30 N8 Ni S6 -","- C23 H20 N8 Ni S6 -","- C92 H80 N32 Ni4 S24 -","4","1","CF1075","Chen, W.; Li, H.; Zhong, Z.-J.; Zhang, K.; You, X.-Z.","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(IV) 1,1,2,3,3-Pentacyanopropenide","Acta Crystallographica Section C","1996","52","12","3030","3033","10.1107/S0108270196009663","","","0.71073","MoKα","","0.0544","0.0443","","0.1063","0.0994","","","","1.083","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006163","10.356","0.002","15.35","0.003","13.394","0.003","90","","96.38","0.04","90","","2116","0.8","293","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N5 O11 -","- C20 H17 N5 O11 -","- C80 H68 N20 O44 -","4","1","TA1106","In, Yasuko; Nagata, Hiroomi; Doi, Mitsunobu; Ishida, Toshimasa; Wakahara, Akio","Anthranilic Acid‒Picric Acid (2/1) Complex","Acta Crystallographica Section C","1997","53","5","646","648","10.1107/S0108270196011262","","","1.5418","CuKα","","","0.059","","","0.067","","","","","1.7187","1.7187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006569","30.404","0.004","10.276","0.001","18.742","0.003","90","","108.92","0.01","90","","5539.2","1.3","163","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H26 O3 P Rh -","- C34 H26 O3 P Rh -","- C272 H208 O24 P8 Rh8 -","8","2","CF1166","Lamprecht, Delanie; Lamprecht, Gert J.; Botha, J. Mattheus; Umakoshi, Keisuke; Sasaki, Yoichi","Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(triphenylphosphine-<i>P</i>)rhodium(I)","Acta Crystallographica Section C","1997","53","10","1403","1405","10.1107/S0108270197007439","","","0.71073","MoKα","","","0.035","","","0.043","","","","","2.564","2.564","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006742","16.001","0.001","11.821","0.003","9.641","0.001","90","","98.53","0.03","90","","1803.4","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","trans-(±)-N,N'-Bis(salicylidene)-1,2-cyclohexane-diamine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","VJ1061","Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing","<i>trans</i>-(±)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1997","53","11","1671","1673","10.1107/S0108270197008640","","","0.71073","MoKα","","0.0638","0.037","","0.0845","0.0765","","","","0.869","1.014","1.014","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006793","16.907","0.006","12.543","0.004","20.86","0.007","90","","117.89","0.03","90","","3910","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene sodium thiocyanate clathrate","","- C39 H52 N3 Na O7 S -","- C39 H52 N3 Na O7 S -","- C156 H208 N12 Na4 O28 S4 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.0951","0.0548","","0.1516","0.1354","","","","1.064","1.201","1.201","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006960","9.8982","0.0001","20.4966","0.0002","9.7322","0.0001","90","","112.472","0.001","90","","1824.54","0.03","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Methoxy-2,4,6-triphenylpyridine","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","SK1146","Bolte, Michael","3-Methoxy-2,4,6-triphenylpyridine at 173K","Acta Crystallographica Section C","1998","54","1","132","134","10.1107/S0108270197012778","","","0.71073","MoKα","","0.0331","0.0321","","0.0855","0.0841","","","","1.048","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007087","16.885","0.006","18.689","0.004","9.452","0.003","90","","94.05","0.05","90","","2975.3","1.6","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H32 I6 N6 Ni -","- C15 H32 I6 N6 Ni -","- C60 H128 I24 N24 Ni4 -","4","1","HA1203","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","Bis(acetonitrile-<i>N</i>)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide)","Acta Crystallographica Section C","1998","54","3","299","302","10.1107/S0108270197014200","","","0.71073","MoKα","","0.0429","0.0377","","","","0.0948","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007167","14.381","0.003","7.697","0.003","14.2869","0.0012","90","","100.801","0.01","90","","1553.4","0.7","294","","294","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H18 Mo N4 O4 -","- C12 H18 Mo N4 O4 -","- C48 H72 Mo4 N16 O16 -","4","1","FG1386","Ehlert, Martin K.; Rettig, Steven J.; Storr, Alan; Trotter, James","A <i>cis</i>-Dioxomolybdenum(VI) Complex, [Mo{N~2~C~3~H~3~C(Me)~2~O}~2~(O)~2~]","Acta Crystallographica Section C","1998","54","4","473","475","10.1107/S0108270197015898","","","0.7107","MoKα","","","0.027","","","","0.053","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007274","14.135","0.002","9.884","0.001","10.877","0.001","90.01","0.01","118.95","0.01","90.004","0.001","1329.7","0.3","180","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","1-phenyl-2,5-dibromo-3,4-dimethyl-2,5-dihydrophosphole oxide","","- C12 H13 Br2 O P -","- C12 H13 Br2 O P -","- C48 H52 Br8 O4 P4 -","4","1","SK1134","Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert","Key Intermediates in the Synthesis of 2,2'-Biphosphole","Acta Crystallographica Section C","1998","54","5","676","679","10.1107/S0108270197018179","","","0.71073","MoKα","","0.0378","0.0309","","0.0749","0.0727","","","","1.137","1.172","1.172","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007578","12.681","0.003","12.145","0.002","22.107","0.004","90","","90.35","0.03","90","","3404.7","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C33 H34 N6 Ni2 O11 -","- C16.5 H16 N3 Ni O5.5 -","- C66 H64 N12 Ni4 O22 -","4","1","BM1200","Koman, Marian; Baloghová, Zuzana; Valigura, Dušan","Structural Investigation of Nickel(II) Complexes. XIII. μ-[2,3,5,6-Tetra-(2-pyridyl)pyrazine]-bis-[bis(acetato)aquanickel(II)]‒Formaldehyde (1/1)","Acta Crystallographica Section C","1998","54","9","1277","1279","10.1107/S0108270198003631","","","0.71073","MoKα","","0.1092","0.0494","","0.1694","0.1184","","","","0.955","0.992","0.992","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007622","11.059","0.003","7.862","0.002","21.828","0.004","90","","97.17","0.02","90","","1883","0.8","295","2","295","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Sodium ethylenediamminetetraacetato μ-oxo-μ-sulfido bisoxomolybdenum(V) dihydrate","","- C10 H16 Mo2 N2 Na2 O13 S -","- C10 H12 Mo2 N2 Na2 O13 S -","- C40 H48 Mo8 N8 Na8 O52 S4 -","4","1","FR1115","Valente, Edward J.; Zubkowski, Jeffrey D.; Hicks, Kenneth W.","Na~2~[(μ-<i>N</i>,<i>N</i>'-C~10~H~12~N~2~O~8~)(μ-O)(μ-S)Mo~2~O~2~].2H~2~O","Acta Crystallographica Section C","1998","54","9","1265","1268","10.1107/S0108270198003163","","","0.71073","MoKα","","0.086","0.047","","","","0.115","","","0.788","","","0.788","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007905","28.851","0.005","11.615","0.002","19.992","0.004","90","","127.42","0.01","90","","5320.7","1.8","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","7,11-(μ-thiobenzoate-S:O)-7,10-di(triphenylphosphine-P)-8,9-di-μH- 7-platina-nido-undecaborane-chloroform (1/1.5)","","- C44.5 H45.5 B10 Cl4.5 O P2 Pt S -","- C44.5 H44.5 B10 Cl4.5 O P2 Pt S -","- C178 H178 B40 Cl18 O4 P8 Pt4 S4 -","4","1","CF1268","Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Jing-De Wei; Ruo-Shui Jin; Jie Sun; Pei-Ju Zheng","An Exopolyhedral Cyclized Platinaundecaborane: [(PPh~3~)(PhCOS)PtB~10~H~9~(PPh~3~)].1.5CHCl~3~","Acta Crystallographica Section C","1998","54","12","1835","1837","10.1107/S0108270198010452","","","0.71069","MoKα","","","0.0369","","","","0.1041","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007930","7.5204","0.001","17.061","0.002","12.2921","0.0017","90","","92.187","0.004","90","","1576","0.4","160","2","160","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-methylpyridinium bis(pyrocatecholato-O,O')borate","","- C18 H16 B N O4 -","- C18 H16 B N O4 -","- C72 H64 B4 N4 O16 -","4","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.05","0.044","","","","0.111","","","","","","1.088","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008000","21.2854","0.0001","7.8608","0.0001","9.3555","0.0002","90","","100.229","0.001","90","","1540.48","0.04","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(Z)-2-Hydroxy-3,3',4'-trimethoxystilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","0.71073","MoKα","","0.0276","0.0262","","0.0737","0.0708","","","","1.048","1.025","1.025","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008028","11.9327","0.0008","10.5752","0.0009","14.6833","0.0011","90","","101.857","0.006","90","","1813.4","0.2","294","1","294","1","","","","","","","","3","C 1 c 1","C -2yc","9","","Tris(2-methoxyphenyl)methanol","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","SK1217","Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George","(4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a <i>D</i>[<i>R</i>] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol","Acta Crystallographica Section C","1998","54","12","1970","1974","10.1107/S0108270198009329","","","0.7107","MolybdenumKα","","0.048","0.031","","","","0.081","","","","","","1.056","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008446","7.4177","0.0008","21.393","0.002","9.2734","0.001","90","","101.766","0.008","90","","1440.6","0.3","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-(2'-furyl)[2.2]paracyclophane","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","BM1314","Dix, Ina; Hopf, Henning; Jones, Peter G.","Heterocycle-substituted [2.2]paracyclophanes","Acta Crystallographica Section C","1999","55","5","756","759","10.1107/S0108270199001808","","","0.71073","MoKα","","0.0536","0.0478","","","","0.1254","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008559","4.586","0.002","12.843","0.004","9.767","0.001","90","","133.98","0.02","90","","413.9","0.3","296.2","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C2 H4 N4 -","- C2 H4 N4 -","- C8 H16 N16 -","4","1","DE1103","Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Takehiro Matsunaga","5-Methyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","6","1014","1016","10.1107/S0108270199002437","","","0.7107","MoKα","","","0.04","","","","0.052","","","","","","1.859","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008567","8.438","0.002","27.496","0.001","4.894","0.001","90","","117.38","0.02","90","","1008.3","0.4","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","quinolinium-4-carboxylate dihydrate","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","FR1183","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in quinolinium-4-carboxylate dihydrate","Acta Crystallographica Section C","1999","55","6","935","937","10.1107/S0108270199002565","","","0.71073","MoKα","","","0.032","","","0.055","","","","","1.85","1.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008870","22.3117","0.0014","8.2925","0.0006","16.1711","0.0018","90","","122.532","0.006","90","","2522.5","0.4","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate","","- C18 H40 N8 O5 -","- C18 H40 N8 O5 -","- C72 H160 N32 O20 -","4","1","BM1339","McKee, Vickie; Nelson, Jane","1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate","Acta Crystallographica Section C","1999","55","9","1494","1496","10.1107/S010827019900671X","","","0.71073","MoKα","","0.036","0.029","","","","0.068","","","","","","1.052","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009085","11.325","0.002","16.996","0.002","17.193","0.002","90","","99.78","0.01","90","","3261.2","0.8","290","2","290","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-methyl-3',4'-dimethoxy-4-stilbazolium tetraphenylborate","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate","","- C40 H38 B N O2 -","- C40 H38 B N O2 -","- C160 H152 B4 N4 O8 -","4","1","BK1469","De-Chun Zhang; Li-Qin Ge; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","1999","55","11","1938","1939","10.1107/S0108270199009579","","","0.71073","MoKα","","0.074","0.034","","0.072","","0.063","","","0.82","","","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009111","17.9115","0.0013","11.6279","0.0013","7.701","0.0007","90","","95.842","0.003","90","","1595.6","0.3","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-phenyl-3-(4-nitrophenyl)-5-acetoxyisoxazolidine","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","CF1330","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine","Acta Crystallographica Section C","1999","55","11","1829","1831","10.1107/S0108270199010367","","","0.71073","MoKα","","0.0632","0.0431","","","","0.0977","","","","","","0.912","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009278","14.157","0.0002","12.9188","0.0002","7.2671","0.0001","90","","104.776","0.001","90","","1285.14","0.03","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[2-(2'-Pyridyl-N)quinoxaline-N~1~,N~4~]silver (I) nitrate","","- C13 H9 Ag N4 O3 -","- C13 H9 Ag N4 O3 -","- C52 H36 Ag4 N16 O12 -","4","1","HA1261","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","[2-(2-Pyridyl-<i>N</i>)quinoxaline-<i>N</i>^1^]silver(I) nitrate","Acta Crystallographica Section C","1999","55","12","2035","2037","10.1107/S0108270199010938","","","0.71073","MoKα","","0.0365","0.0317","","","","0.0776","","","","","","0.968","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009340","9.069","0.005","19.378","0.006","16.964","0.007","90","","105.15","0.05","90","","2878","2","301","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C29 H30 Cl2 N4 Ni O2 Zn -","- C29 H30 Cl2 N4 Ni O2 Zn -","- C116 H120 Cl8 N16 Ni4 O8 Zn4 -","4","1","SK1264","Atakol, Orhan; Ercan, Filiz; Arici, Cengiz; Fuess, Hartmut; Svoboda, Ingrid","{[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(4-methylpyridine)nickel(II)}dichlorozinc(II)","Acta Crystallographica Section C","1999","55","12","2023","2026","10.1107/S0108270199010707","","","0.71073","MoKα","","","0.029","","","0.076","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009385","8.497","0.001","20.881","0.004","9.541","0.002","90","","115.72","0.01","90","","1525.1","0.5","240","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C12 H22 N6 S2 -","- C12 H22 N6 S2 -","- C48 H88 N24 S8 -","4","1","HH1065","Ho, D.M.; Pascal, R.A.Jr.","Structure of a cyclophane containing a 1,5,2,4,6,8-dithiatetrazocine ring","Acta Crystallographica Section C","1994","50","1","108","110","10.1107/S0108270193006560","","","0.71073","MoKα","","","0.0576","","","0.0507","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009476","36.05","0.005","4.943","0.001","19.793","0.003","90","","108.72","0.01","90","","3340.4","1","293","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C17 H18 N4 O3 -","- C8.5 H9 N2 O1.5 -","- C68 H72 N16 O12 -","8","2","NA1033","Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.","Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives","Acta Crystallographica Section C","1994","50","2","239","245","10.1107/S0108270193006997","","","0.71069","MoKα","","","0.038","","","0.048","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009839","7.961","0.002","18.56","0.003","6.501","0.001","90","","127.47","0.03","90","","762.4","0.4","294","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","nitrilotriacetic acid","","- C6 H9 N O6 -","- C6 H9 N O6 -","- C24 H36 N4 O24 -","4","1","BK1008","Skrzypczak-Jankun, E.; Smith, Douglas A.; Maluszynska, H.","Nitrilotriacetic acid, C~6~H~9~NO~6~","Acta Crystallographica Section C","1994","50","7","1097","1099","10.1107/S010827019400017X","","","0.71073","MoKα","","","0.0256","","","0.033","","","","","1.88","1.88","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2010387","18.585","0.003","9.562","0.001","15.012","0.004","90","","131.83","0.03","90","","1987.8","1.1","293","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H7 N O9 Ru3 -","- C15 H7 N O9 Ru3 -","- C60 H28 N4 O36 Ru12 -","4","1","MU1090","Wong, W.-T.; Wong, W.-Y.","Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)","Acta Crystallographica Section C","1995","51","1","57","60","10.1107/S010827019400555X","","","0.71073","MoKα","","","0.037","","","0.05","","","","","1.876","1.876","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2010610","12.864","0.003","14.422","0.003","9.083","0.0018","90","","134.83","0.03","90","","1195.1","0.8","295","2","295","2","","","","","","","","2","C 1 c 1","C -2yc","9","","Lanthanum diarsenide","","- As2 La -","- As2 La -","- As32 La16 -","16","4","BR1274","Wang, Meitian; Mar, Arthur","High-temperature LaAs~2~","Acta Crystallographica Section C","2000","56","2","138","139","10.1107/S0108270199015553","","","0.71073","MoKα","","0.0604","0.0477","","","","0.1036","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010897","15.651","0.003","16.048","0.003","24.022","0.005","90","","108.18","0.03","90","","5732","2","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(μ-3,11-diethyl-6,8-diphenyl-3,6,8,11-tetraphosphatridecane- κ^4^-P^3^,P^6^:P^8^,P^11^)dirhodium(I) bis(tetrafluoroborate)","","- C50 H80 B2 F8 P8 Rh2 -","- C50 H80 B2 F8 P8 Rh2 -","- C200 H320 B8 F32 P32 Rh8 -","4","1","DA1112","Hunt Jr, Clinton; Nelson, Brent D.; Harmon, Elisa G.; Fronczek, Frank R.; Watkins, Steven F.; Billodeaux, Damon R.; Stanley, George G.","A binuclear rhodium(I) complex with two tetraphosphine ligands at 100K","Acta Crystallographica Section C","2000","56","5","546","548","10.1107/S010827010000158X","","","0.71073","MoKα","","0.049","0.038","","0.095","0.089","","","","1.04","1.03","1.03","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011053","16.7683","0.0003","9.7089","0.0002","11.116","0.002","90","","90.9963","0.0011","90","","1809.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]-heptadeca-1(17),13,15-triene dihydrochloride monohydrate","","- C14 H28 Cl2 N4 O -","- C14 H28 Cl2 N4 O -","- C56 H112 Cl8 N16 O4 -","4","1","QB0201","Lodeiro, Carlos; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Saint-Maurice, Andre","Two hydrochlorides of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene","Acta Crystallographica Section C","2000","56","6","e255","e256","10.1107/S0108270100006065","","","0.71073","MoKα","","0.037","0.035","","","","0.112","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011245","20.647","0.002","11.835","0.001","17.275","0.002","90","","96.253","0.005","90","","4196.2","0.7","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chloro(η^6^-p-cymene)(2-methyl-5-oxo-7-phenyl-5,6-dihydro-2H-1,2,4-triazepin- 3-thiolato-κ^2^N^4^,S)ruthenium","","- C21 H24 Cl N3 O Ru S -","- C21 H24 Cl N3 O Ru S -","- C168 H192 Cl8 N24 O8 Ru8 S8 -","8","2","QA0323","Aitali, Mustapha; Ait Itto, My Youssef; Hasnaoui, Aisa; Riahi, Abdelkhalek; Karim, Abdellah; García-Granda, Santiago; Gutiérrez-Rodríguez, Angel","Chloro(η^6^-<i>p</i>-cymene)(2-methyl-5-oxo-7-phenyl-5,6-dihydro-2<i>H</i>-1,2,4-triazepine-3-thiolato-κ^2^<i>N</i>^4^,<i>S</i>)ruthenium(II)","Acta Crystallographica Section C","2000","56","8","e315","e316","10.1107/S0108270100008891","","","1.54184","CuKα","","0.051","0.049","","","","0.119","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011293","9.282","","10.803","","7.887","","90","","111.45","","90","","736.08","","122","2","122","2","","","","","","","","4","C 1 c 1","C -2yc","9","N-Methyl-DL-Aspartic Acid monohydrate","N-Methyl-DL-Aspartic Acid","","- C5 H11 N O5 -","- C5 H11 N O5 -","- C20 H44 N4 O20 -","4","1","AV1045","Madsen, Dennis; Pattison, Philip","<i>N</i>-Methyl-<small>DL</small>-aspartic acid monohydrate","Acta Crystallographica Section C","2000","56","9","1157","1158","10.1107/S0108270100008593","","","0.7","Synchrotron","","0.0297","0.0297","","","","0.074","","","","","","1.312","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011323","5.526","0.001","29.989","0.006","5.997","0.001","90","","107.96","0.03","90","","945.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-chloro-3-phenyl-2,2-dihydroxypropanamide","","- C9 H10 Cl N O3 -","- C9 H10 Cl N O3 -","- C36 H40 Cl4 N4 O12 -","4","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0344","0.0278","","","","0.0634","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011364","14.627","0.003","7.491","0.002","12.344","0.005","90","","98.71","0.03","90","","1336.9","0.7","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H10 N2 O4 -","- C16 H10 N2 O4 -","- C64 H40 N8 O16 -","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","","0.149","0.081","","0.289","","0.178","","","1.166","","","1.545","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011384","6.0851","0.0002","18.346","0.0004","11.3499","0.0006","90","","94.02","0.003","90","","1263.95","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H17 N O4 -","- C11 H17 N O4 -","- C44 H68 N4 O16 -","4","1","SK1400","Luger, Peter; Weber, Manuela; Szeimies, Günter; Pätzel, Michael","3-(<i>tert</i>-Butyloxycarbonylamino)bicyclo[1.1.1]pentanecarboxylic acid at 293K","Acta Crystallographica Section C","2000","56","9","1170","1172","10.1107/S0108270100008994","","","0.71068","MoKα","","0.0873","0.0479","","","","0.1394","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011669","19.3044","0.0004","10.6009","0.0003","11.6549","0.0003","90","","125.527","0.002","90","","1941.1","0.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","trans-4-[4-(Dimethylamino)phenyliminomethyl]-N-phenylpyridinium hexafluorophosphate","","- C20 H20 F6 N3 P -","- C20 H20 F6 N3 P -","- C80 H80 F24 N12 P4 -","4","1","SX1113","Coe, Benjamin J.; Harris, James A.; Gelbrich, Thomas; Hursthouse, Michael B.","<i>trans</i>-4-[4-(Dimethylamino)phenyliminomethyl]-<i>N</i>-phenylpyridinium hexafluorophosphate","Acta Crystallographica Section C","2000","56","12","1487","1489","10.1107/S0108270100012543","","","0.71073","MoKα","","0.042","0.036","","","","0.092","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011692","10.518","0.003","15.18","0.008","17.618","0.006","90","","98.85","0.02","90","","2779.5","1.9","295","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H30 Br2 N4 Ni O4 Zn -","- C23 H30 Br2 N4 Ni O4 Zn -","- C92 H120 Br8 N16 Ni4 O16 Zn4 -","4","1","DA1133","Arıcı, Cengiz; Svoboda, Ingrid; Sarı, Musa; Atakol, Orhan; Fuess, Hartmut","{Bis(<i>N</i>,<i>N</i>-dimethylformamide)[μ-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]nickel(II)}dibromozinc(II)","Acta Crystallographica Section C","2001","57","1","31","32","10.1107/S0108270100014487","","","0.71073","MoKα","","","0.039","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011721","7.8836","0.0012","20.134","0.003","6.089","0.004","90","","109.32","0.03","90","","912","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","μ-chloro(tricinato-N,O,O')copper(II)","","","- C6 H12 Cl Cu N O5 -","- C6 H12 Cl Cu N O5 -","- C24 H48 Cl4 Cu4 N4 O20 -","4","1","","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Conformational flexibility of tricine as a chelating agent in catena-poly[[(tricinato)copper(II)]-μ-chloro]","Acta Crystallographica, Section C","2001","57","","09","11","10.1107/S0108270100014281","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011773","4.5541","0.0002","16.314","0.0008","17.5245","0.0009","90","","96.234","0.002","90","","1294.29","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[1H-Benzimidazolium]-Benzene Carbonic Acid dihydrate solvate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","SK1423","Jian, Fangfang; Bei, Fengli; Yang, Xujie; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","4-(1<i>H</i>-Benzimidazol-3-ium-2-yl)benzoate dihydrate","Acta Crystallographica Section C","2001","57","2","176","177","10.1107/S0108270100015675","","","0.71073","MoKα","","0.06","0.045","","","","0.111","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011784","10.4971","0.0001","15.5281","0.0002","16.393","0.0002","90","","101.51","0.01","90","","2618.32","0.11","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[Ethylene-1,2-bis(diphenylphosphine)-P,P']dinitratoplatinum(II)","","- C26 H24 N2 O6 P2 Pt -","- C26 H24 N2 O6 P2 Pt -","- C104 H96 N8 O24 P8 Pt4 -","4","1","BK1556","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","[Ethylene-1,2-bis(diphenylphosphine)-<i>P</i>,<i>P</i>']dinitratoplatinum(II) and <i>cis</i>-bis[(diphenylphosphinomethyl)diphenylphosphine oxide-<i>O</i>,<i>P</i>]platinum(II) dinitrate dihydrate","Acta Crystallographica Section C","2001","57","3","237","239","10.1107/S0108270100017273","","","0.71073","MoKα","","0.058","0.039","","","","0.069","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011799","16.807","0.002","9.3006","0.0016","13.7677","0.001","90","","106.682","0.01","90","","2061.5","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","doxylamine tetrachlorocuprate(II)","{2-[1-dimethylammonioethoxy)-1-phenylethyl]pyridinium} tetrachlorocuprate(II)","","- C17 H24 Cl4 Cu N2 O -","- C17 H24 Cl4 Cu N2 O -","- C68 H96 Cl16 Cu4 N8 O4 -","4","1","FR1314","Braitenbach, Kristin; Parvez, Masood","Doxylaminium tetrachlorocuprate(II)","Acta Crystallographica Section C","2001","57","3","262","263","10.1107/S010827010001917X","","","0.71069","MoKα","","0.117","0.044","","","","0.128","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012127","7.043","0.001","28.741","0.006","5.94","0.001","90","","103.06","0.03","90","","1171.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[aqua copper(II)-μ-(1-oxido-N-naphthylideneglycinato-O,N,O':O')]","","- C13 H11 Cu N O4 -","- C13 H11 Cu N O4 -","- C52 H44 Cu4 N4 O16 -","4","1","GD1148","Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[aquacopper(II)-μ-[<i>N</i>-(1-oxido-2-naphthylmethylene)glycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']]","Acta Crystallographica Section C","2001","57","8","889","890","10.1107/S0108270101006060","","","0.71073","MoKα","","0.039","0.034","","","","0.099","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012177","4.8149","0.0003","24.6603","0.0015","6.9111","0.0004","90","","106.418","0.001","90","","787.14","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tin Phenyl Phosphonate","Tin(II) Phenyl Phosphonate","","- C6 H5 O3 P Sn -","- C6 H5 O3 P Sn -","- C24 H20 O12 P4 Sn4 -","4","1","BR1323","Lansky, David E.; Zavalij, Peter Y.; Oliver, Scott R. J.","A layered tin(II) phosphonate, [Sn(C~6~H~5~O~3~P)]~<i>n~</i>","Acta Crystallographica Section C","2001","57","9","1051","1052","10.1107/S0108270101010034","","","0.71073","MoKα","","0.031","0.029","","","","0.066","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012249","14.329","0.003","5.2662","0.0011","9.1129","0.0018","90","","119.1","0.03","90","","600.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Glycine sodium nitrate","","- C2 H5 N2 Na O5 -","- C2 H5 N2 Na O5 -","- C8 H20 N8 Na4 O20 -","4","1","FG1628","Krishnakumar, R. V.; Nandhini, M. Subha; Natarajan, S.; Sivakumar, K.; Varghese, Babu","Glycine sodium nitrate","Acta Crystallographica Section C","2001","57","10","1149","1150","10.1107/S0108270101011520","","","0.71073","MoKα","","0.029","0.029","","","","0.078","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012288","8.458","0.001","15.137","0.002","15.93","0.003","90","","95.98","0.02","90","","2028.4","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","3,3-Diethoxycarbonyl-2-(p-tolylsulfinyl)bicyclo[2.2.1]hept- 5-ene-2-carbonitrile","Diethyl 3-cyano-3-(toluene-4-sulfinyl)bicyclo[2.2.1]hepta-5-ene-2,2-dicarboxylate","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C84 H92 N4 O20 S4 -","4","1","BJ1028","Toscano, Rubén A.; Hernández-Ortega, Simón; Ortiz, Benjamín; Sánchez-Obregón, Rubén; Walls, Fernando; Yuste, Francisco","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate and its Diels‒Alder adduct with cyclopentadiene","Acta Crystallographica Section C","2001","57","11","1313","1315","10.1107/S0108270101012951","","","0.71073","MoKα","","0.144","0.064","","","","0.141","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012327","23.6298","0.0006","9.6215","0.0003","14.2657","0.0004","90","","120.293","0.0016","90","","2800.51","0.14","150","1","150","1","","","","","","","","5","C 1 c 1","C -2yc","9","","4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9- tetrahydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-one-ethanol (1/1)","","- C30 H33 Cl N4 O5 -","- C30 H33 Cl N4 O5 -","- C120 H132 Cl4 N16 O20 -","4","1","GG1082","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Mejía, Diana","4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5(6<i>H</i>)-one‒ethanol (1/1)","Acta Crystallographica Section C","2001","57","11","1356","1358","10.1107/S0108270101014913","","","0.71073","MoKα","","0.055","0.043","","","","0.098","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012329","16.0054","0.0001","13.02","0.0001","17.2445","0.0001","90","","105.29","0.01","90","","3466.39","0.17","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[2-carbonyl-2,2-bis(triphenylphosphine)-nido-2-osmahexaborane(9)]","","- C37 H39 B5 O Os P2 -","- C37 H38 B5 O Os P2 -","- C148 H152 B20 O4 Os4 P8 -","4","1","IZ1015","Bould, Jonathan; Kennedy, John D.; Thomas, Rhodri Ll.; Rath, Nigam P.; Barton, Lawrence","The <i>nido</i>‒osmaboranes [2,2,2-(CO)(PPh~3~)~2~-<i>nido</i>-2-OsB~5~H~9~] and [6,6,6-(CO)(PPh~3~)~2~-<i>nido</i>-6-OsB~9~H~13~]","Acta Crystallographica Section C","2001","57","11","1245","1247","10.1107/S0108270101012689","","","0.71073","MoKα","","0.028","0.026","","","","0.059","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012367","11.1238","0.0003","9.8718","0.0003","7.1988","0.0002","90","","119.071","0.002","90","","690.92","0.04","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-formylphenylboronic acid","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","DA1214","Fronczek, Frank R.; St. Luce, Nadia N.; Strongin, Robert M.","Space-group revision for 4-formylphenylboronic acid","Acta Crystallographica Section C","2001","57","12","1423","1425","10.1107/S0108270101015621","","","0.71073","MoKα","","0.043","0.038","","","0.099","0.104","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012395","19.773","0.004","7.531","0.0015","13.726","0.003","90","","117.31","0.03","90","","1816.1","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","cis-dichlorobis(triethylphosphine)platinum(II)","","- C12 H30 Cl2 P2 Pt -","- C12 H30 Cl2 P2 Pt -","- C48 H120 Cl8 P8 Pt4 -","4","1","","Otto, Stefanus; Muller, Alfred Johannes","cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II)","Acta Crystallographica, Section C: Crystal Structure Communications","2001","57","12","1405","1407","10.1107/S0108270101016043","","","0.71073","MoKα","","0.0363","0.0341","","","0.0906","0.0921","","","","","","1.02","","","","has coordinates","209639","2020-10-21","18:00:00",""
"2012597","16.0287","0.0011","9.6132","0.0007","20.2697","0.0015","90","","110.906","0.001","90","","2917.7","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{tris[2-(benzylamino)ethyl]amine-κ^4^N}silver(I) perchlorate","","- C27 H36 Ag Cl N4 O4 -","- C27 H36 Ag Cl N4 O4 -","- C108 H144 Ag4 Cl4 N16 O16 -","4","1","OB1051","Yoon, Il; Shin, Yong Woon; Kim, Jineun; Park, Ki-Min; Park, Sung Bae; Lee, Shim Sung","A pseudo-cage complex of silver(I) with tripodal tetraamine having benzyl end groups, {tris[2-(benzylamino)ethyl]amine-κ^4^<i>N</i>}silver(I) perchlorate","Acta Crystallographica Section C","2002","58","3","m165","m166","10.1107/S0108270102000665","","","0.71073","MoKα","","0.048","0.033","","","0.081","0.09","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012615","12.328","0.002","14.851","0.003","14.124","0.003","90","","100.06","0.03","90","","2546.1","0.9","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Triaqua-(2,4,6-tris(2-Pyridyl)-1,3,5-triazine-N,N',N"")nickel(II), dinitrate, trihydrate","","- C18 H24 N8 Ni O12 -","- C18 H24 N8 Ni O12 -","- C72 H96 N32 Ni4 O48 -","4","1","BK1640","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Two nickel complexes stabilized by nitrate counter-ions","Acta Crystallographica Section C","2002","58","4","m221","m224","10.1107/S0108270102002834","","","0.71073","MoKα","","0.041","0.037","","","0.089","0.092","","","","","","0.924","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012625","20.1364","0.0014","30.908","0.0014","16.0088","0.001","90","","118.587","0.003","90","","8748.9","0.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","tris(triethylammonium) tris{26,27,28-trihydroxypentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-olate} acetonitrile solvate","","- C104 H120 N4 O12 -","- C104 H120 N4 O12 -","- C416 H480 N16 O48 -","4","1","DN1006","Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques","Two triethylammonium ion complexes of monoanionic calix[4]arene","Acta Crystallographica Section C","2002","58","4","o223","o225","10.1107/S0108270102003220","","","0.71073","MoKα","","0.095","0.056","","","0.12","0.14","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012762","8.6495","0.0018","17.118","0.004","10.568","0.002","90","","113.85","0.02","90","","1431.1","0.6","220","2","220","2","","","","","","","","4","C 1 c 1","C -2yc","9","","catena-Poly[[(2,2'-bipyridine-κ^2^N:N')(dicyanamide-κN)copper(II)]- μ-dicyanamide-κ^2^N:N']","","- C14 H8 Cu N8 -","- C14 H8 Cu N8 -","- C56 H32 Cu4 N32 -","4","1","GG1106","Potočňák, Ivan; Burčák, Milan; Wagner, Christoph; Jäger, Lothar","Low-dimensional compounds containing cyano groups. II. <i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(dicyanamido-κ<i>N</i>)copper(II)]-μ-dicyanamido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2002","58","6","m327","m329","10.1107/S0108270102006625","","","0.71073","MoKα","","0.024","0.023","","","0.06","0.064","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012920","9.3072","0.0005","28.7064","0.0014","9.6152","0.0003","90","","93.401","0.001","90","","2564.4","0.2","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H6 Na10 O29 S6 U -","- H6 Na10 O29 S6 U -","- H24 Na40 O116 S24 U4 -","4","1","BR1383","Burns, Peter C.; Hayden, Leslie A.","A uranyl sulfate cluster in Na~10~[(UO~2~)(SO~4~)~4~](SO~4~)~2~·3H~2~O","Acta Crystallographica Section C","2002","58","9","i121","i123","10.1107/S0108270102011812","","","0.71073","MoKα","","","0.019","","","","0.052","","","","","","1.048","","","","has coordinates,has Fobs","189249","2020-10-21","18:00:00",""
"2013289","17.7179","0.0013","11.2784","0.0008","18.4455","0.0013","90","","112.41","0.002","90","","3407.6","0.4","294","2","294","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^6^-p-cymene)[(η^2^-diphenylphosphino-tetrafluroborate-P,F) (η^1^-diphenylphosphinoyl-tetrafluroborate-O)]ruthenium(II)","","- C34 H34 B2 F8 O P2 Ru -","- C34 H34 B2 F8 O P2 Ru -","- C136 H136 B8 F32 O4 P8 Ru4 -","4","1","GG1160","Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang","An arene‒ruthenium(II) complex containing novel hybrid phosphinofluoro ligands","Acta Crystallographica Section C","2003","59","4","m156","m158","10.1107/S0108270103005808","","","0.71073","MoKα","","0.0494","0.0434","","","0.0949","0.0979","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013355","11.6265","0.0013","14.5467","0.0009","10.0565","0.0011","90","","122.475","0.015","90","","1434.9","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","(N-carboxylatomethylaspartato)(ethylenediamine) cobalt(III) complex","[N-(Carboxylatomethyl)aspartato(3-)](ethylenediamine)cobalt(III) trihydrate","","- C8 H20 Co N3 O9 -","- C8 H20 Co N3 O9 -","- C32 H80 Co4 N12 O36 -","4","1","SK1619","Maderová, Jana; Marek, Jaromír; Pavelčík, František","[<i>N</i>-(Carboxylatomethyl)aspartato(3‒)](ethylenediamine)cobalt(III) trihydrate","Acta Crystallographica Section C","2003","59","5","m178","m180","10.1107/S0108270103006449","","","0.71073","MoKα","","0.022","0.0219","","","0.0573","0.0574","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013474","12.326","0.003","18.573","0.004","7.4961","0.0015","90","","114.36","0.03","90","","1563.3","0.7","100","1","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","tris(4-hydroxyphenyl)methane","4,4',4''-methanetriyltriphenol","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","JZ1567","Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski","Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine","Acta Crystallographica Section C","2003","59","8","o481","o484","10.1107/S0108270103014288","","","0.71073","MoKα","","0.0442","0.0387","","","0.097","0.1007","","","","","","1.215","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013482","12.098","0.009","20.337","0.014","8.134","0.005","90","","103.68","0.05","90","","1944","2","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(3,16-dioxo-1-oxa-4,8,11,15-tetraazacycloheptadecanato)copper(II) pentahydrate","","- C12 H32 Cu N4 O8 -","- C12 H32 Cu N4 O8 -","- C48 H128 Cu4 N16 O32 -","4","1","NA1585","Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.","Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors","Acta Crystallographica Section C","2003","59","7","m294","m298","10.1107/S0108270102023247","","","0.71073","MoKα","","0.0652","0.0428","","","0.0942","0.1011","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013530","13.774","0.002","11.233","0.002","24.595","0.004","90","","99.792","0.002","90","","3750","1.1","153","2","153","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C176 H176 O40 -","8","2","TA1412","Rozek, Tomas; Bowie, John H.; Skelton, Brian W.; White, Allan H.","11-Hydroxy-3,3-dimethyl-7,12-dioxo-3,4,6,6a,7,12,12a,12b-octahydrobenz[<i>a</i>]anthracen-1-yl acetate","Acta Crystallographica Section C","2003","59","8","o431","o432","10.1107/S0108270103013374","","","0.71073","MoKα","","0.053","0.044","","0.047","","0.046","","","1.069","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013538","13.069","0.003","25.602","0.005","22.991","0.005","90","","92.66","0.03","90","","7684","3","293","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","Tris(μ~2~-chloro)-bis(tripod)-diruthenium(II) hexafluorophosphate ethanol solvate","Tri-μ-chloro-bis{[1,1,1-tris(diphenylphosphinomethyl)ethane- κ^3^P,P',P'']ruthenium(II)} hexafluorophosphate ethanol solvate","","- C84 H84 Cl3 F6 O P7 Ru2 -","- C84 H84 Cl3 F6 O P7 Ru2 -","- C336 H336 Cl12 F24 O4 P28 Ru8 -","4","1","AV1146","Seok, Won K.; Zhang, Li J.; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Mayer, Peter","A trichloro-bridged binuclear ruthenium complex with 1,1,1-tris(diphenylphosphinomethyl)ethane","Acta Crystallographica Section C","2003","59","11","m439","m441","10.1107/S0108270103020432","","","0.71073","MoKα","","0.046","0.033","","","0.055","0.057","","","","","","0.887","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013557","36.706","0.003","4.913","0.0004","12.364","0.005","90","","98.808","0.004","90","","2203.4","0.9","120","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H18 N4 O6 S -","- C26 H18 N4 O6 S -","- C104 H72 N16 O24 S4 -","4","1","BM1545","Cox, Philip J.; Wardell, James L.","4,4'-Sulfonylbis[<i>N</i>-(4-nitrophenylmethylene)benzenamine]: whole-molecule disorder","Acta Crystallographica Section C","2003","59","12","o706","o708","10.1107/S0108270103025149","","","0.6934","synchrotron","","","0.0416","","","","0.1066","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013573","16.358","0.004","4.5009","0.0011","13.066","0.003","90","","108.736","0.015","90","","911","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H6 O S4 -","- C6 H6 O S4 -","- C24 H24 O4 S16 -","4","1","FA1033","Xue, Gang; Fang, Qi; Yu, Wentao","4,5-Propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one","Acta Crystallographica Section C","2003","59","11","o653","o655","10.1107/S0108270103022662","","","0.71073","MoKα","","0.0594","0.044","","","0.0985","0.1067","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013738","7.6353","0.0008","7.6077","0.0008","16.335","0.002","90","","92.19","0.009","90","","948.16","0.18","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Zinc catena-polyphosphate","","- O6 P2 Zn -","- O6 P2 Zn -","- O48 P16 Zn8 -","8","2","BC1027","Weil, Matthias","The high-temperature modification of zinc <i>catena</i>-polyphosphate, β-Zn(PO~3~)~2~","Acta Crystallographica Section C","2004","60","2","i20","i22","10.1107/S0108270103025666","","","0.71073","MoKα","","0.0228","0.0199","","","0.0422","0.043","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013775","6.18","0.0012","44.16","0.009","9.774","0.002","90","","108.26","0.03","90","","2533.1","1","173","1","173","1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(1H-Indol-3-ylmethylene)-1-aza-bicyclo[2.2.2]octan-3-one","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","2","FR1450","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1<i>H</i>-Indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2004","60","1","o6","o8","10.1107/S0108270103026076","","","0.71073","MoKα","","0.0595","0.0482","","","0.0778","0.0804","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013856","4.9348","0.0004","27.825","0.002","10.3893","0.0009","90","","101.076","0.002","90","","1399.99","0.19","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Iodobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 I N3 O2 -","- C13 H10 I N3 O2 -","- C52 H40 I4 N12 O8 -","4","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.1345","0.0441","","","0.0832","0.1061","","","","","","0.878","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013928","7.891","0.002","8.798","0.003","18.829","0.006","90","","94.597","0.005","90","","1303","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","p-Nitrophenyl 3-nitrobenzenesulfonate","4-Nitrophenyl 3-nitrobenzenesulfonate","","- C12 H8 N2 O7 S -","- C12 H8 N2 O7 S -","- C48 H32 N8 O28 S4 -","4","1","BM1553","Vembu, Nagarajan; Nallu, Maruthai; Durmus, Semih; Panzner, Matthew; Garrison, Jered; Youngs, Wiley J.","Layer architecture in 4-nitrophenyl and 4-chlorophenyl 3-nitrobenzenesulfonate at 100K","Acta Crystallographica Section C","2004","60","4","o248","o251","10.1107/S0108270104002471","","","0.71073","MoKα","","0.0735","0.0613","","","0.1338","0.139","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013942","10.734","0.005","14.786","0.005","8.533","0.005","90","","97.053","0.005","90","","1344","1.1","293","","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","DN1045","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Kazak, Canan; Erdönmez, Ahmet","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde and 3-methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","Acta Crystallographica, Section C","2004","60","","o455","o457","10.1107/S0108270104010844","","","0.71069","MoKα","","0.04","0.031","","","0.074","0.078","","","","","","0.93","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013999","23.987","0.004","6.714","0.006","11.58","0.003","90","","93.77","0.02","90","","1860.9","1.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetrachlorodiaquatin(IV) dihydrate","","- Cl4 H8 O4 Sn -","- Cl4 H8 O4 Sn -","- Cl32 H64 O32 Sn8 -","8","2","GD1307","Genge, Anthony R. J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Hydrates of tin tetrachloride","Acta Crystallographica Section C","2004","60","4","i47","i49","10.1107/S0108270104005633","","","0.71073","MoKα","","0.0291","0.0289","","","0.0741","0.0742","","","","","","1.127","","","","has coordinates,has Fobs","194546","2020-10-21","18:00:00",""
"2014083","19.309","0.004","6.421","0.0013","13.735","0.003","90","","113.2","0.03","90","","1565.2","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-tert-butoxycarbonyl-2-phenylpyrrolidine-2-carboxylic acid","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","TR1074","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Martirosyan, Vahan; Harutyunyan, Gohar; Gasparyan, Sahak","1,2,5-Substituted derivatives of 2-phenylpyrrolidine","Acta Crystallographica Section C","2004","60","6","o390","o392","10.1107/S0108270104007930","","","0.71073","MoKα","","0.0679","0.0409","","","0.0873","0.0976","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014243","7.5373","0.0005","15.0354","0.0015","11.6624","0.0012","90","","106.811","0.005","90","","1265.2","0.2","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","rac-1-phenylethanaminium rac-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.0505","0.0454","","","0.1171","0.1209","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014254","18.635","0.005","6.9554","0.0017","5.9035","0.0015","90","","96.36","0.01","90","","760.5","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-bromoacetophenone","","- C8 H7 Br O -","- C8 H7 Br O -","- C32 H28 Br4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.037","0.032","","","0.074","0.077","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014255","19.425","0.005","7.049","0.002","5.8769","0.0015","90","","94.41","0.01","90","","802.3","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","p-iodoacetophenone polymorph A","","- C8 H7 I O -","- C8 H7 I O -","- C32 H28 I4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.024","0.023","","","0.059","0.06","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014421","17.002","0.003","11.111","0.002","17.129","0.003","90","","105.94","0.02","90","","3111.4","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","zafirlukast methanol solvate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide methanol solvate","","- C32 H37 N3 O7 S -","- C32 H37 N3 O7 S -","- C128 H148 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.0949","0.0481","","","0.1148","0.138","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014422","17.216","0.003","11.033","0.002","18.258","0.004","90","","109.47","0.03","90","","3269.7","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","zafirlukast ethanol solvate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide ethanol solvate","","- C33 H39 N3 O7 S -","- C33 H39 N3 O7 S -","- C132 H156 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.1523","0.0498","","","0.0962","0.1144","","","","","","0.808","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014440","19.9772","0.0014","19.9588","0.0014","15.6622","0.0011","90","","93.014","0.004","90","","6236.2","0.8","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Quinoline-2(1H)-thione","","- C9 H7 N S -","- C9 H7 N S -","- C288 H224 N32 S32 -","32","8","BM1582","Kuś, Piotr; Jones, Peter G.","Quinoline-2(1<i>H</i>)-thione, a structure with <i>Z</i>' = 8","Acta Crystallographica Section C","2004","60","12","o865","o867","10.1107/S0108270104025636","","","0.71073","MoKα","","0.0453","0.0339","","","0.074","0.0778","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014533","5.0752","0.0004","22.182","0.002","12.396","0.0011","90","","91.32","0.0005","90","","1395.1","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-amino-5-trifluoromethyl-1H-1,2,4-triazole‒ 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (1/1)","","- C10 H8 F6 N8 O -","- C10 H8 F6 N8 O -","- C40 H32 F24 N32 O4 -","4","1","SK1761","Boechat, Nubia; Dutra, Karen D. B.; Valverde, Alessandre; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one and hydrogen-bonded chains of rings in 5-amino-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole‒5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1), the co-crystal of a reaction product and one of its precursors","Acta Crystallographica Section C","2004","60","10","o733","o736","10.1107/S0108270104020256","","","0.71073","MoKα","","0.0756","0.0457","","","0.0985","0.1096","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014628","12.825","0.0013","16.2","0.0016","28.721","0.003","90","","97.318","0.002","90","","5918.6","1","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H50 Br6 N2 P2 Pd2 S2 -","- C60 H50 Br6 N2 P2 Pd2 S2 -","- C240 H200 Br24 N8 P8 Pd8 S8 -","4","1","BM1597","Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","Bis[(diphenylsulfimido)triphenylphosphonium] di-μ-bromo-bis[dibromopalladate(II)]","Acta Crystallographica Section C","2005","61","1","m40","m42","10.1107/S0108270104029464","","","0.71073","MoKα","","0.0461","0.0356","","","0.0781","0.0815","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014639","7.312","0.005","14.774","0.005","10.902","0.005","90","","95.076","0.005","90","","1173.1","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[N-(2-hydroxyethyl)ethylendiamine-κ^3^N,N',O] cis-bis(isothiocyanato-κN)copper(II)","","- C6 H12 Cu N4 O S2 -","- C6 H12 Cu N4 O S2 -","- C24 H48 Cu4 N16 O4 S8 -","4","1","FA1084","Pas̨aoǧlu, Hümeyra; Karadaǧ, Ahmet; Tezcan, Fatma; Büyükgüngör, Orhan","[<i>N</i>-(2-Hydroxyethyl)ethylenediamine-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]-<i>cis</i>-bis(isothiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2005","61","2","m93","m94","10.1107/S0108270104033803","","","0.71069","MoKα","","0.0459","0.0311","","","0.0556","0.0585","","","","","","0.899","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015134","6.863","0.006","39.81","0.03","13.527","0.011","90","","93.276","0.015","90","","3690","5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Benzene-1,3-dicarboxylic acid‒4-methylpyridine (1/2)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","2","FG1861","Zhi-Min Jin; Hai Feng; Li Li; Mao-Lin Hu","Hydrogen bonding and π‒π interactions in a laminar structure: benzene-1,3-dicarboxylic acid‒4-methylpyridine (1/2)","Acta Crystallographica Section C","2005","61","10","o593","o595","10.1107/S0108270105026181","","","0.71073","MoKα","","0.0787","0.0652","","","0.1617","0.1733","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015140","20.6762","0.0007","7.2443","0.0002","10.3501","0.0003","90","","116.575","0.002","90","","1386.5","0.08","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,3-dibromo-1,3-diphenylpropan-1-one","","- C15 H12 Br2 O -","- C15 H12 Br2 O -","- C60 H48 Br8 O4 -","4","1","FG1880","Harrison, William T. A.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Anilkumar, H. G.","Do C—H···O and C—H···π interactions help to stabilize a non-centrosymmetric structure for racemic 2,3-dibromo-1,3-diphenylpropan-1-one?","Acta Crystallographica Section C","2005","61","12","o728","o730","10.1107/S0108270105036942","","","0.71073","MoKα","","0.0291","0.0264","","","0.057","0.0582","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015184","16.93","0.003","10.7694","0.0018","17.665","0.003","90","","111.543","0.005","90","","2995.8","0.9","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[2-(4-Cyanophenyl)ethenyl]-N-methylpyridinium tetraphenylborate","","- C39 H33 B N2 -","- C39 H33 B N2 -","- C156 H132 B4 N8 -","4","1","SF1010","Dan Jin; De-Chun Zhang","4-[2-(4-Cyanophenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","2005","61","11","o657","o659","10.1107/S010827010503060X","","","0.7107","MoKα","","0.0627","0.051","","","0.1143","0.1208","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015192","7.6466","0.0006","17.0714","0.0012","19.7596","0.0014","90","","98.06","0.001","90","","2553.9","0.3","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","6,6'-di-tert-butyl-4,4'-dimethyl-2,2'-thiodiphenylphosphate","","- C25 H33 N2 O4 P S -","- C25 H33 N2 O4 P S -","- C100 H132 N8 O16 P4 S4 -","4","1","SK1869","Pavan Kumar, K. V. P.; Kumara Swamy, K. C.","Two phosphate‒imidazole complexes with and without a hydrogen-bonded guest molecule","Acta Crystallographica Section C","2005","61","11","o668","o670","10.1107/S0108270105031744","","","0.71073","MoKα","","0.0528","0.0393","","","0.0827","0.0865","","","","","","0.929","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015237","12.009","0.001","15.484","0.001","15.221","0.001","90","","112.273","0.003","90","","2619.1","0.3","20","2","20","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4'-bipyridinium bis(2,4,5-tricarboxylbenzoate)","","- C30 H20 N2 O16 -","- C30 H20 N2 O16 -","- C120 H80 N8 O64 -","4","1","FG1884","Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D.","Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","4","o157","o161","10.1107/S0108270106004008","","neutron","1.3108","neutron","","0.0221","0.0217","","","0.0478","0.048","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015350","16.727","0.001","14.152","0.001","8.718","0.001","90","","90.79","0.01","90","","2063.5","0.3","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","mammeigin","5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-2H,8H- pyrano[2,3-f]chromen-2-one","","- C25 H24 O5 -","- C25 H24 O5 -","- C100 H96 O20 -","4","1","FA3017","Doriguetto, Antônio C.; Ellena, Javier; Dos Santos, Marcelo H.; Moreira, Maria E. C.; Nagem, Tanus J.","Mammeigin","Acta Crystallographica Section C","2006","62","6","o350","o352","10.1107/S0108270106017409","","","0.71073","MoKα","","","0.0436","","","","0.105","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015364","15.9437","0.0002","19.1979","0.0004","11.2587","0.0002","90","","132.918","0.0007","90","","2523.69","0.08","160","1","160","1","","","","","","","","4","C 1 c 1","C -2yc","9","","(6RS,13RS)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa- 4,11-diazacyclotetradecane-2,5,9,12-tetraone","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C104 H120 N8 O24 -","4","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.0496","0.0384","","","0.0907","0.0968","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015474","29.149","0.004","5.139","0.004","14.498","0.004","90","","110.9","0.02","90","","2028.9","1.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-chloroacetyl-6-aminohexanoic acid","6-(2-Chloroacetamido)hexanoic acid","","- C8 H14 Cl N O3 -","- C8 H14 Cl N O3 -","- C64 H112 Cl8 N8 O24 -","8","2","DN3018","Gastone, Carolina; Puiggalí, Jordi; Font-Bardia, Mercè; Urpí, Lourdes","6-(2-Chloroacetamido)hexanoic acid","Acta Crystallographica Section C","2006","62","8","o498","o500","10.1107/S0108270106022827","","","0.71073","MoKα","","0.0896","0.0483","","","0.1167","0.1323","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015541","9.827","0.002","4.9326","0.001","16.795","0.004","90","","93.91","0.004","90","","812.2","0.3","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[[diaquacadmium(II)]-μ~4~-N-(phosphonatomethyl)glycinato]","","- C3 H10 Cd N O7 P -","- C3 H10 Cd N O7 P -","- C12 H40 Cd4 N4 O28 P4 -","4","1","DN3020","Deng, Qian-Jun; Zeng, Ming-Hua; Liang, Hong; Huang, Ke-Long","Poly[[diaquacadmium(II)]-μ~4~-[<i>N</i>-(phosphonatomethyl)ammonio]acetato]","Acta Crystallographica Section C","2006","62","9","m389","m391","10.1107/S0108270106025625","","","0.7107","MoKα","","0.015","0.0148","","","0.0353","0.0353","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015553","34.7194","0.0009","6.0462","0.0001","10.0042","0.0003","90","","93.975","0.001","90","","2095.03","0.09","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N,N'-Bis(2-methoxyphenyl)naphthalene-1,4-dicarboxamide","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","GA3018","Lin-Hai Jing; Da-Bin Qin; Shao-Jin Gu; Huan-Xia Zhang; Gang Lei","<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)naphthalene-1,4-dicarboxamide","Acta Crystallographica Section C","2006","62","9","o561","o562","10.1107/S0108270106026928","","","0.71073","MoKα","","0.0294","0.0291","","","0.0796","0.0799","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015601","10.0979","0.0004","13.4026","0.0007","10.6047","0.0004","90","","109.479","0.003","90","","1353.07","0.11","170","2","170","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-n-hexyl-5-hydroxy-3-phenyl-1H-pyrazole","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C60 H80 N8 O4 -","4","1","GD3042","Julio Belmar; Claudio Jiménez; C. Ruiz-Pérez; F. S. Delgado; Ricardo Baggio","A unique tautomer of 1-<i>n</i>-hexyl-3-phenyl-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section C","2006","62","10","o599","o601","10.1107/S0108270106032926","","","0.71073","MoKα","","0.0719","0.047","","","0.0966","0.1093","","","","","","1.132","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015619","14.4281","0.0005","18.8386","0.0007","9.0887","0.0003","90","","125.285","0.001","90","","2016.52","0.12","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(2R*,3S*)-1-(3,4-dimethoxyphenyl)-3-{3-methoxy-2-[(2R*)-tetrahydropyran- 2-yloxy]phenyl}-2,3-epoxy-1-propanone","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","SK3047","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Chalcone epoxide intermediates in the syntheses of lignin-related phenylcoumarans","Acta Crystallographica Section C","2006","62","10","o625","o627","10.1107/S0108270106036900","","","0.71073","MoKα","","0.0445","0.0363","","","0.0937","0.0994","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015646","10.602","0.003","26.834","0.007","12.489","0.003","90","0.005","102.77","0.02","90","0.005","3465.2","1.6","293","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^5^-Cyclopentadienyl)(diphenylphosphinoethane)(4-nitrobenzonitrile)iron(II) iodide","","- C38 H33 Fe I N2 O2 P2 -","- C38 H33 Fe I N2 O2 P2 -","- C152 H132 Fe4 I4 N8 O8 P8 -","4","1","HJ3019","Duarte, M. Teresa; Piedade, M. Fátima M.; Robalo, M. Paula; Jacob, C.; Garcia, M. Helena","The effect of counter-ions on the supramolecular arrangement of (benzonitrile)[1,2-bis(diphenylphosphino)ethane](η^5^-cyclopentadienyl)iron(II) cations","Acta Crystallographica Section C","2006","62","11","m531","m534","10.1107/S0108270106038662","","","0.71069","MoKα","","","0.0706","","","","0.155","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015762","7.9045","0.0004","12.995","0.0007","11.7737","0.0005","90","","98.81","0.004","90","","1195.11","0.1","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","ethyl 5-amino-1-(2,6-difluorophenyl)-1H-imidazole-4-carboxylate","","- C12 H11 F2 N3 O2 -","- C12 H11 F2 N3 O2 -","- C48 H44 F8 N12 O8 -","4","1","SK3077","Costa, Marilia S.; Boechat, Nubia; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","Three ethyl 5-amino-1-aryl-1<i>H</i>-imidazole-4-carboxylates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o33","o37","10.1107/S0108270106048402","","","0.71073","MoKα","","0.0455","0.0343","","","0.0745","0.0802","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015850","16.6521","0.0008","15.5103","0.0007","17.8922","0.0008","90","","115.34","0.002","90","","4176.5","0.3","292","2","292","2","","","","","","","","6","C 1 c 1","C -2yc","9","","catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^N:N'] [[μ-thiosulfato-bis[(thiosulfato-κS)zinc(II)]]-δi-μ-4,4'-bipyridine- κ^4^N:N'] dihydrate], {[Zn(C~10~H~8~N~2~)(H~2~O)~4~][Zn~2~(S~2~O~3~)~3~(C~10~H~8~N~2~)~2~].2H~2~O","","- C30 H36 N6 O15 S6 Zn3 -","- C30 H36 N6 O15 S6 Zn3 -","- C120 H144 N24 O60 S24 Zn12 -","4","1","GD3072","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","A polymeric zinc thiosulfate complex containing anionic and cationic chains based on tetrahedral and octahedral zinc sites","Acta Crystallographica Section C","2007","63","3","m123","m125","10.1107/S0108270107006166","","","0.71073","MoKα","","0.0217","0.0205","","","0.0505","0.0512","","","","","","0.904","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015868","4.634","0.001","14.672","0.003","15.153","0.003","90","","93.11","0.03","90","","1028.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","cesium aluminium bis[dihydrogen arsenate(V)] hydrogen arsenate(V)","","- Al As3 Cs H5 O12 -","- Al As3 Cs H5 O12 -","- Al4 As12 Cs4 H20 O48 -","4","1","IZ3017","Schwendtner, Karolina; Kolitsch, Uwe","CsAl(H~2~AsO~4~)~2~(HAsO~4~): a new monoclinic protonated arsenate with decorated kröhnkite-like chains","Acta Crystallographica Section C","2007","63","3","i17","i20","10.1107/S0108270106045550","","","0.71073","MoKα","","0.027","0.0243","","","0.0597","0.0612","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016058","6.5978","0.0003","29.2458","0.0015","28.663","0.0013","90","","90.521","0.002","90","","5530.5","0.5","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid‒dimethyl sulfoxide (2/5)","","- C51 H44 N5 O8.5 S2.5 -","- C50 H41 N5 O8 S2 -","- C200 H164 N20 O32 S8 -","4","1","LN3055","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates","Acta Crystallographica Section C","2007","63","7","o395","o399","10.1107/S0108270107024936","","","0.71073","MoKα","","0.1522","0.0852","","","0.1905","0.2114","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016371","40.152","0.009","8.353","0.003","18.842","0.005","90","","113.138","0.009","90","","5811","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[bis[μ~3~-benzene-1,3,5-tricarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^]tris[μ~2~-1,3-bis(imidazol-1- ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)]","","- C60 H48 Co3 N12 O12 -","- C60 H48 Co3 N12 O12 -","- C240 H192 Co12 N48 O48 -","4","1","BG3062","Ying-Ying Liu; Jin Yang; Ji-Cheng Ma; Jian-Fang Ma","Poly[bis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] and poly[[diaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tris[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']tricobalt(II)] monohydrate]","Acta Crystallographica Section C","2008","64","1","m33","m36","10.1107/S0108270107059124","","","0.71069","MoKα","","0.0443","0.0373","","","0.0877","0.0911","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016377","12.177","0.002","13.842","0.003","7.1502","0.0014","90","","91.17","0.03","90","","1204.9","0.4","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[μ-aqua-diaqua-μ~4~-malonato-μ~3~-malonato-barium(II)nickel(II)]","","- C6 H10 Ba Ni O11 -","- C6 H10 Ba Ni O11 -","- C24 H40 Ba4 Ni4 O44 -","4","1","FA3125","Guo, Ming-Lin; Zhang, Hou-Ying","Poly[μ-aqua-diaqua-μ~4~-malonato-μ~3~-malonato-barium(II)nickel(II)]","Acta Crystallographica Section C","2008","64","1","m30","m32","10.1107/S0108270107060763","","","0.71073","MoKα","","0.0418","0.0417","","","0.0988","0.0989","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016543","6.2143","0.0002","15.3978","0.0005","20.713","0.0007","90","","93.729","0.003","90","","1977.76","0.11","290","2","290","2","","","","","","","","3","C 1 c 1","C -2yc","9","2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl] phenol","2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol","","- C24 H26 O3 -","- C24 H26 O3 -","- C96 H104 O12 -","4","1","GD3195","Rozycka-Sokolowska, Ewa","2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol: a three-dimensional framework built from O—H···O hydrogen bonds","Acta Crystallographica Section C","2008","64","4","o242","o244","10.1107/S0108270108006045","","","0.71073","MoKα","","0.0618","0.0326","","","0.0644","0.0815","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016619","13.304","0.013","12.125","0.012","27.3","0.03","90","","110.761","0.012","90","","4118","7","120.1","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","bis[4'-(4-cyanophenyl)-2,2':6',2''-terpyridine]cobalt(II) bis(tetrafluoridoborate) nitromethane solvate","","- C45 H31 B2 Co F8 N9 O2 -","- C45 H31 B2 Co F8 N9 O2 -","- C180 H124 B8 Co4 F32 N36 O8 -","4","1","SQ3135","Yu, Zhong; Nabei, Atsuhiro; Izumi, Takafumi; Okubo, Takashi; Kuroda-Sowa, Takayoshi","Cobalt(II) and cobalt(III) complexes with 4'-(4-cyanophenyl)-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2008","64","5","m209","m212","10.1107/S010827010800992X","","","0.7107","MoKα","","","0.0698","","","","0.1685","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016666","15.1641","0.0009","13.1653","0.0009","20.6761","0.0019","90","","102.753","0.001","90","","4025.9","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","poly[[(μ~2~-benzene-1,3-dicarboxylato){μ~2~-1,1'-[2,2'-oxybis(ethane-2,1- diyl)]di-1<i>H</i>-imidazole}cobalt(II)] monohydrate]","","- C18 H20 Co N4 O6 -","- C18 H20 Co N4 O6 -","- C144 H160 Co8 N32 O48 -","8","2","FA3149","Wei, Guo-Hua; Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Li, Shun-Li","A novel cobalt(II) coordination polymer with an unusual four-connected 4^2^.6^3^.8 topology","Acta Crystallographica Section C","2008","64","7","m267","m270","10.1107/S0108270108018921","","","0.71069","MoKα","","0.042","0.0347","","","0.0768","0.0806","","","","","","0.979","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016698","11.699","0.002","11.692","0.002","24.406","0.005","90","","102.13","0.03","90","","3263.8","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","1',3',3'-trimethyl-1',3'-dihydrospiropyran-6-carbaldehyde","1',3',3'-trimethylspiro[2'H-1-benzopyran-2,2'-indoline]-6-carbaldehyde","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","SQ3147","Zouev, I.; Kaftory, M.","Conformational dimorphism of the spiropyran 1',3',3'-trimethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]-6-carbaldehyde)","Acta Crystallographica Section C","2008","64","7","o372","o375","10.1107/S0108270108016430","","","0.71073","MoKα","","0.0671","0.036","","","0.0825","0.0912","","","","","","0.95","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016818","16.384","0.005","9.725","0.004","13.181","0.003","90","","127.36","0.04","90","","1669.3","1.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C76 H52 N20 O8 -","4","1","SQ3157","Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena","2-[4-Phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazol-3-yl]nicotinic acid: a case of solvent-dependent polymorphism","Acta Crystallographica Section C","2008","64","10","o574","o577","10.1107/S0108270108029806","","","1.54178","CuKα","","0.0598","0.0398","","","0.1001","0.1091","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017007","11.9645","0.0004","26.1393","0.0006","9.3213","0.0003","90","","122.509","0.003","90","","2458.39","0.15","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","isonicotinamidinium hydrogen 4,5-dichlorophthalate methyl 4,5-dichlorophthalic acid adduct","4-(aminocarbonyl)pyridinium 2-carboxy-4,5-dichlorobenzoate‒ methyl 2-carboxy-4,5-dichlorobenzoate (1/1)","","- C23 H16 Cl4 N2 O9 -","- C23 H16 Cl4 N2 O9 -","- C92 H64 Cl16 N8 O36 -","4","1","GD3270","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Zero-, one- and two-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with the monocyclic heteroaromatic Lewis bases 2-aminopyrimidine, nicotinamide and isonicotinamide","Acta Crystallographica Section C","2009","65","3","o103","o107","10.1107/S0108270109004405","","","1.54178","CuKα","","0.0525","0.0464","","","0.123","0.128","","","","","","0.966","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017134","12.9482","0.0004","13.4993","0.0005","7.0726","0.0003","90","","92.013","0.0011","90","","1235.47","0.08","100","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","4-carbamoylpyridinium hydrogen chloranilate","4-carbamoylpyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dienolate","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C48 H32 Cl8 N8 O20 -","4","1","GD3286","Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric 2-, 3- and 4-carbamoylpyridinium hydrogen chloranilates","Acta Crystallographica Section C","2009","65","6","o273","o277","10.1107/S010827010901525X","","","0.71075","MoKα","","0.0255","0.0215","","","0.0559","0.0608","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017195","5.6426","0.0011","17.512","0.003","11.323","0.002","90","","94.36","0.01","90","","1115.6","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-amino-5-chloropyridinium trichloroacetate","","- C7 H6 Cl4 N2 O2 -","- C7 H6 Cl4 N2 O2 -","- C28 H24 Cl16 N8 O8 -","4","1","SK3318","Janczak, Jan; Perpétuo, Genivaldo Julio","Hydrogen-bonded network in the trichloroacetate salts of 2-amino-5-chloropyridinium and 2-methyl-5-nitroanilinium monohydrate","Acta Crystallographica Section C","2009","65","7","o339","o341","10.1107/S0108270109021490","","","0.71073","MoKα","","0.0522","0.0289","","","0.045","0.0473","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017197","18.9692","0.0018","7.8092","0.0004","19.5944","0.0019","90","","112.213","0.004","90","","2687.2","0.4","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-aminopyridinium 4-aminobenzoate dihydrate","","- C12 H17 N3 O4 -","- C12 H17 N3 O4 -","- C96 H136 N24 O32 -","8","2","SK3319","Jebas, Samuel Robinson; Sinthiya, A.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter; Raj, S. Alfred Cecil","4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate","Acta Crystallographica Section C","2009","65","7","o361","o364","10.1107/S0108270109021106","","","1.54178","CuKα","","0.0585","0.0548","","","0.149","0.1555","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017240","5.0961","0.0007","25.084","0.0019","8.0217","0.0006","90","","104.637","0.008","90","","992.14","0.18","291","0.3","291","0.3","","","","","","","","4","C 1 c 1","C -2yc","9","","5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine","","- C10 H11 Cl O3 -","- C10 H11 Cl O3 -","- C40 H44 Cl4 O12 -","4","1","GD3288","Kruszynski, Rafal","Weak intermolecular interactions in isomorphous 5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine and 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine: bonding or nonbonding interactions","Acta Crystallographica Section C","2009","65","8","o396","o399","10.1107/S0108270109020551","","","0.71073","MoKα","","0.0401","0.0353","","","0.0775","0.08","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017241","5.0911","0.0008","25.4143","0.0018","8.0469","0.0005","90","","104.69","0.009","90","","1007.13","0.19","291","0.3","291","0.3","","","","","","","","4","C 1 c 1","C -2yc","9","","5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine","","- C10 H11 Br O3 -","- C10 H11 Br O3 -","- C40 H44 Br4 O12 -","4","1","GD3288","Kruszynski, Rafal","Weak intermolecular interactions in isomorphous 5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine and 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine: bonding or nonbonding interactions","Acta Crystallographica Section C","2009","65","8","o396","o399","10.1107/S0108270109020551","","","0.71073","MoKα","","0.0183","0.0178","","","0.0473","0.0475","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017245","10.521","0.002","19.769","0.004","9.056","0.002","90","","111.49","0.03","90","","1752.6","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C84 H60 N12 O8 -","4","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1042","0.0426","","","0.0778","0.0899","","","","","","0.878","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017295","13.6042","0.0002","20.8734","0.0004","11.4525","0.0002","90","","116.279","0.0011","90","","2916.02","0.09","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5,10,15,20-tetra-4-pyridylporphyrin","","- C40 H26 N8 -","- C40 H26 N8 -","- C160 H104 N32 -","4","1","GD3300","Lipstman, Sophia; Goldberg, Israel","Unsolvated 5,10,15,20-tetra-4-pyridylporphyrin, its sesquihydrate and its 2-chlorophenol disolvate: conformational versatility of the ligand","Acta Crystallographica Section C","2009","65","9","o447","o452","10.1107/S0108270109030753","","","0.71073","MoKα","","0.059","0.0493","","","0.1213","0.1272","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017405","14.7039","0.0013","12.4546","0.001","13.7921","0.0014","90","","115.474","0.007","90","","2280.2","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-fluorocytosine hemihydrate","","- C4 H5 F N3 O1.5 -","- C4 H5 F N3 O1.5 -","- C64 H80 F16 N48 O24 -","16","4","SK3347","Tutughamiarso, Maya; Bolte, Michael; Egert, Ernst","New pseudopolymorphs of 5-fluorocytosine","Acta Crystallographica Section C","2009","65","11","o574","o578","10.1107/S010827010903950X","","","0.71073","MoKα","","0.0535","0.0375","","","0.074","0.0779","","","","","","0.875","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017419","14.676","0.002","7.435","0.002","7.574","0.002","90","","111.79","0.02","90","","767.4","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","Cytosinium hydrogen sulfate","Cytosinium hydrogen sulfate","","- C4 H7 N3 O5 S -","- C4 H7 N3 O5 S -","- C16 H28 N12 O20 S4 -","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","","0.0501","0.0377","","","0.0838","0.0914","","","","","","0.912","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017510","11.5899","0.0006","16.7899","0.0008","13.4785","0.0008","90","","114.667","0.006","90","","2383.5","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C112 H136 N16 O8 -","4","1","GD3326","Kuś, Piotr; Borek, Jerzy; Jones, Peter G.","Two concomitant polymorphs of <i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide","Acta Crystallographica Section C","2010","66","2","o93","o96","10.1107/S0108270110001952","","","1.54184","CuKα","","0.0551","0.0549","","","0.1524","0.1525","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017554","11.7","0.001","15.59","0.001","5.03","0.001","90","","98","0.01","90","","908.6","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Iron aluminium tris(dihydrogenphosphate)","","- Al0.19 Fe0.81 H6 O12 P3 -","- Al0.193 Fe0.807 H6 O12 P3 -","- Al0.772 Fe3.228 H24 O48 P12 -","4","1","FN3041","Belfguira, Nadia; Walha, Siwar; Ben Salah, Abdelhamid; Fransolet, André Mathieu; Kabadou, Ahlem","The solid solution (Fe~0.81~Al~0.19~)(H~2~PO~4~)~3~ with a strong hydrogen bond","Acta Crystallographica Section C","2010","66","3","i33","i36","10.1107/S0108270110001344","","","0.71073","MoKα","","0.0318","0.0287","","","0.0722","0.074","","","","","","1.042","","","","has coordinates,has Fobs","201369","2020-10-21","18:00:00",""
"2017599","10.7475","0.0007","10.7842","0.0012","20.5812","0.0019","90","","91.688","0.007","90","","2384.4","0.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-exo-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","2","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.0848","0.0464","","","0.1022","0.1226","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017655","6.9612","0.0014","12.043","0.002","26.481","0.005","90","","94.97","0.03","90","","2211.7","0.7","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","","dicopper(I) triselenostannate(IV)","","- Cu2 Se3 Sn -","- Cu2 Se3 Sn -","- Cu32 Se48 Sn16 -","16","4","SQ3242","Gulay, L. D.; Daszkiewicz, M.; Ostapyuk, T. A.; Klymovych, O. S.; Zmiy, O. F.","Monoclinic Cu~2~Se~3~Sn","Acta Crystallographica Section C","2010","66","5","i58","i60","10.1107/S0108270110014034","","","0.71073","MoKα","","0.0821","0.0465","","","0.0924","0.1038","","","","","","0.76","","","","has coordinates,has Fobs","199611","2020-10-21","18:00:00",""
"2017708","4.3288","0.0018","23.372","0.01","15.292","0.006","90","","94.606","0.007","90","","1542.1","1.1","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2,5-dichloroanilinium picrate","","- C12 H8 Cl2 N4 O7 -","- C12 H8 Cl2 N4 O7 -","- C48 H32 Cl8 N16 O28 -","4","1","GD3342","Meng, Gao-Xiang; Yang, He-Lin; Cheng, Cui-Xia; Huang, Xin-Tang","Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate","Acta Crystallographica Section C","2010","66","7","o337","o340","10.1107/S0108270110020846","","","0.71073","Mokα","","0.0467","0.0413","","","0.092","0.0935","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017813","16.7558","0.0015","9.9188","0.0007","9.7665","0.0006","90","","110.14","0.008","90","","1523.9","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-(propane-1,3-diyl)bis(pyridine-2-carboxamide)","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","FG3197","Munro, Orde Q.; Wilson, Colin","Amide hydrogen bonding: control of the molecular and extended structures of two symmetrical pyridine-2-carboxamide derivatives","Acta Crystallographica Section C","2010","66","11","o535","o539","10.1107/S0108270110039983","","","0.71073","MoKα","","0.049","0.0374","","","0.0967","0.1014","","","","","","0.984","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017826","25.763","0.003","8.5526","0.0009","24.496","0.003","90","","116.458","0.003","90","","4832.1","1","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[(<i>E</i>)-4-Allyl-1-(2-oxidobenzylidene)thiosemicarbazidato- κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>][(<i>Z</i>)-4-allyl-2-(2- hydroxybenzylidene)thiosemicarbazide-κ<i>S</i>]copper(II) monohydrate","","- C22 H26 Cu N6 O3 S2 -","- C22 H26 Cu N6 O3 S2 -","- C176 H208 Cu8 N48 O24 S16 -","8","2","GD3359","Bon, Vladimir V.","The first square-planar copper(II) 1:2 complex with differently coordinated 2-hydroxybenzaldehyde 4-allylthiosemicarbazone ligands","Acta Crystallographica Section C","2010","66","10","m300","m302","10.1107/S0108270110035754","","","0.71073","MoKα","","0.0507","0.0358","","","0.0683","0.0742","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017944","6.1635","0.0003","19.6495","0.001","6.3889","0.0004","90","","96.617","0.005","90","","768.6","0.07","140","2","140","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2-bis(chloromethyl)propane-1,3-diol","","- C5 H10 Cl2 O2 -","- C5 H10 Cl2 O2 -","- C20 H40 Cl8 O8 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0299","0.0277","","","0.0743","0.0748","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018044","12.9108","0.0008","10.5408","0.0005","10.3022","0.0007","90","","94.016","0.006","90","","1398.59","0.15","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,4-Dioxan-2-yl)diphenylmethanol","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","OV3002","Hsiao, Tomi; Buchanan, Robert M.; Mashuta, Mark S.","Racemic (1,4-dioxan-2-yl)diphenylmethanol","Acta Crystallographica Section C","2011","67","4","o129","o130","10.1107/S0108270111008419","","","1.5418","CuKα","","0.0356","0.0299","","","0.0681","0.0704","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018081","19.1494","0.0013","7.8704","0.0004","14.9104","0.0011","90","","104.868","0.006","90","","2172","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,6-diaminopyrimidin-4-one dimethylacetamide solvate (1/1)","","- C8 H15 N5 O2 -","- C8 H15 N5 O2 -","- C64 H120 N40 O16 -","8","2","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0505","0.0474","","","0.1232","0.1257","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018180","6.6517","0.0008","16.084","0.002","9.8254","0.0014","90","","91.825","0.006","90","","1050.6","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(±)-3-<i>exo</i>,6-<i>exo</i>-dibromo-5-<i>endo</i>-hydroxy-3-<i>endo</i>- nitrobicyclo[2.2.1]heptane-2-<i>exo</i>-carbonitrile","","- C8 H8 Br2 N2 O3 -","- C8 H8 Br2 N2 O3 -","- C32 H32 Br8 N8 O12 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.047","0.045","","","0.1149","0.1163","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018305","10.059","0.002","13.618","0.003","13.544","0.004","90","","104.446","0.002","90","","1796.6","0.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate","","- C17 H13 F6 Fe O3 P S -","- C17 H13 F6 Fe O3 P S -","- C68 H52 F24 Fe4 O12 P4 S4 -","4","1","YP3006","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide","Acta Crystallographica Section C","2011","67","11","m351","m354","10.1107/S0108270111042715","","","0.71073","MoKα","","0.0569","0.0462","","","0.0863","0.0891","","","","","","1.284","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018394","6.6567","0.0003","6.995","0.0003","16.2875","0.0007","90","","97.467","0.004","90","","751.97","0.06","119.8","","119.8","","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea hydrogen fluorophosphonate","2-carbamoylguanidinium hydrogen fluorophosphonate","","- C2 H8 F N4 O4 P -","- C2 H8 F N4 O4 P -","- C8 H32 F4 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0506","0.0491","","","0.1154","0.1165","","","","","","2.31","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018395","6.6648","0.0002","6.9435","0.0002","16.2924","0.0004","90","","97.185","0.003","90","","748.04","0.04","120","0.14","120","14","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)~0.76~ (hydrogen phosphite)~0.24~","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.76/0.24)","","- C2 H8.24 F0.76 N4 O4 P -","- C2 H8.24 F0.76 N4 O4 P -","- C8 H32.96 F3.04 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0508","0.0503","","","0.1137","0.1139","","","","","","2.96","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018396","6.67841","0.00016","6.78864","0.00013","16.2696","0.0004","90","","96.588","0.002","90","","732.75","0.03","119.9","0.2","119.9","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)0.115 (hydrogen phosphite)0.885","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.115/0.885)","","- C2 H8.885 F0.115 N4 O4 P -","- C2 H8.885 F0.115 N4 O4 P -","- C8 H35.54 F0.46 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0194","0.0191","","","0.0466","0.0468","","","","","","1.27","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018397","6.67722","0.00016","6.8083","0.0002","16.2809","0.0004","90","","96.644","0.002","90","","735.17","0.03","119.9","0.3","119.9","0.3","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)0.184 (hydrogen phosphite)0.816","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.184/0.816)","","- C2 H8.816 F0.184 N4 O4 P -","- C2 H8.816 F0.184 N4 O4 P -","- C8 H35.264 F0.736 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0226","0.0225","","","0.0559","0.0561","","","","","","1.79","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018490","13.2153","0.0004","15.9752","0.0006","18.5695","0.0006","90","","108.818","0.002","90","","3710.8","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","μ-hydrogen-bis[tris(4-fluorophenyl)phosphane oxide] triiodide","","- C36 H25 F6 I3 O2 P2 -","- C36 H25 F6 I3 O2 P2 -","- C144 H100 F24 I12 O8 P8 -","4","1","EG3082","Haghjoo, Farhad; Barnes, Nicholas A.; Pritchard, Robin; Godfrey, Stephen M.; Ratcliffe, Shane","Hydrogen bis[tris(4-fluorophenyl)phosphane oxide] triiodide","Acta Crystallographica Section C","2012","68","6","o216","o219","10.1107/S0108270112020112","","","0.71073","MoKα","","0.0691","0.0497","","","","0.1313","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018503","6.141","0.002","19.914","0.006","19.91","0.006","90","","96.537","0.006","90","","2419","1.3","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine","","- C30 H24 N8 -","- C30 H24 N8 -","- C120 H96 N32 -","4","1","OV3013","Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~","Acta Crystallographica Section C","2012","68","6","m152","m155","10.1107/S0108270112019233","","","0.71073","MoKα","","0.0796","0.053","","","0.1051","0.1158","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018560","13.316","0.003","14.195","0.003","9.02","0.002","90","","115.775","0.011","90","","1535.3","0.6","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","EG3093","Frøstrup, Brian; Peters, Dan; Bond, Andrew D.","Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","Acta Crystallographica Section C","2012","68","8","o298","o301","10.1107/S0108270112030569","","","0.71073","MoKα","","0.0468","0.0357","","","0.0806","0.0836","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018661","8.5395","0.0017","13.543","0.003","14.743","0.004","90","","95.358","0.003","90","","1697.6","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.0443","0.0373","","","0.0717","0.0753","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018662","8.5966","0.0014","13.655","0.002","14.966","0.003","90","","95.533","0.004","90","","1748.6","0.5","250","2","250","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)]","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.0662","0.0469","","","0.0929","0.1025","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018663","8.731","0.003","13.824","0.005","15.314","0.006","90","","94.866","0.009","90","","1841.7","1.2","400","2","400","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)]","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.125","0.0753","","","0.1765","0.2065","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018667","6.0731","0.0015","14.921","0.004","16.285","0.004","90","","95.686","0.004","90","","1468.4","0.6","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Isoquinolin-5-amine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","SK3448","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Isoquinolin-5-amine","Acta Crystallographica Section C","2012","68","10","o392","o394","10.1107/S0108270112037602","","","0.71073","MoKα","","0.0453","0.0379","","","0.0852","0.0895","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018714","8.097","0.003","12.281","0.003","11.684","0.003","90","","92.08","0.04","90","","1161.1","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetrapotassium hypodiphosphate tetrahydrate","","- H8 K4 O10 P2 -","- H8 K4 O10 P2 -","- H32 K16 O40 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0274","0.0237","","","0.0441","0.0448","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018799","50.158","0.005","8.36","0.003","9.248","0.003","90","","94.136","0.005","90","","3867.8","1.9","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,2-Dibromo-4,5-bis(hexadecyloxy)benzene","","- C38 H68 Br2 O2 -","- C38 H68 Br2 O2 -","- C152 H272 Br8 O8 -","4","1","UK3060","Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D.","Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section C","2013","69","2","204","208","10.1107/S0108270113002485","","","0.71069","MoKα","","0.0387","0.024","","","0.0516","0.0533","","","","","","0.841","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018937","25.431","0.005","16.318","0.003","8.0193","0.0006","90","","104.021","0.01","90","","3228.7","0.9","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2<i>RS</i>,4<i>SR</i>)-2-(3-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","","- C19 H19 N O S -","- C19 H19 N O S -","- C152 H152 N8 O8 S8 -","8","2","YF3028","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded tetramer in (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2<i>RS</i>,4<i>SR</i>)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","Acta Crystallographica Section C","2013","69","4","448","452","10.1107/S0108270113006458","","","0.71073","MoKα","","0.0623","0.048","","","0.0937","0.0994","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018940","16.4404","0.0005","21.0317","0.0006","9.8219","0.0003","90","","117.814","0.003","90","","3003.75","0.18","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>''-(trichloroacetyl)phosphoramidato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C28 H24 Cl4 Cu N5 O2 P -","- C28 H24 Cl4 Cu N5 O2 P -","- C112 H96 Cl16 Cu4 N20 O8 P4 -","4","1","BG3157","Gubina, Kateryna; Ovchynnikov, Vladimir; Amirkhanov, Vladymir; Shishkina, Svetlana","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>''-(trichloroacetyl)phosphoramidato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","2013","69","6","606","609","10.1107/S0108270113011943","","","0.71073","MoKα","","0.0607","0.0387","","","0.0889","0.1008","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018992","5.218","0.0013","20.188","0.005","10.503","0.003","90","","101.139","0.003","90","","1085.6","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[[μ~4~-5-carboxy-4-carboxylato-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-ido]disilver(I)]","","- C10 H5 Ag2 N3 O4 -","- C10 H5 Ag2 N3 O4 -","- C40 H20 Ag8 N12 O16 -","4","1","SF3194","Deng, Zhi-He; Peng, Zhen-Jian; Huang, Jun","A new three-dimensional silver(I) coordination framework with a diamondoid topology constructed from 2-(pyridin-4-yl)-1<i>H</i>-imidazole-4,5-dicarboxylic acid","Acta Crystallographica Section C","2013","69","5","467","470","10.1107/S0108270113006768","","","0.71073","MoKα","","0.0396","0.0381","","","0.0952","0.0969","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019071","8.3782","0.0006","18.1569","0.0019","14.7588","0.0015","90","","101.309","0.008","90","","2201.5","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^]","","- C26 H16 N6 O4 Zn -","- C26 H16 N6 O4 Zn -","- C104 H64 N24 O16 Zn4 -","4","1","YP3033","Xiang, Jing","Two one-dimensional linear zinc(II) polymers: <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^] and <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section C","2013","69","7","750","753","10.1107/S0108270113016168","","","0.71073","MoKα","","0.0503","0.0392","","","0.0692","0.0739","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019151","13.3372","0.0005","14.3257","0.0005","18.4712","0.001","90","","97.654","0.0008","90","","3497.8","0.3","184","","184","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H47 B Cu N4 P -","- C36 H47 B Cu N4 P -","- C144 H188 B4 Cu4 N16 P4 -","4","1","YP3032","Fujisawa, Kiyoshi; Noguchi, Naoto; Noguchi, Yuki; Lehnert, Nicolai","[Bis(3,5-diisopropylpyrazol-1-yl-κ<i>N</i>^2^)dihydroborato](triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section C","2013","69","9","943","946","10.1107/S0108270113015965","","","0.7107","MoKα","","","0.0299","","","","0.0805","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019288","20.3765","0.0014","8.1817","0.0006","14.7392","0.001","90","","112.272","0.001","90","","2273.9","0.3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","(dtbpe)NiBr2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dibromidonickel(II)","","- C18 H40 Br2 Ni P2 -","- C18 H40 Br2 Ni P2 -","- C72 H160 Br8 Ni4 P8 -","4","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0419","0.0338","","","0.0749","0.0785","","","","","","0.988","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019289","20.4783","0.0009","8.3037","0.0004","14.9472","0.0007","90","","110.999","0.001","90","","2372.9","0.19","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","(dtbpe)NiI2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']diiodidonickel(II)","","- C18 H40 I2 Ni P2 -","- C18 H40 I2 Ni P2 -","- C72 H160 I8 Ni4 P8 -","4","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0264","0.0237","","","0.0467","0.0478","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019391","32.081","0.003","4.5028","0.0003","12.8256","0.001","90","","103.524","0.009","90","","1801.3","0.3","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium bromide monohydrate","","- C7 H9 Cl N4 O2 -","- C7 H9 Cl N4 O2 -","- C56 H72 Cl8 N32 O16 -","8","2","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","1.5418","CuKα","","0.0508","0.0475","","","0.126","0.1297","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019580","10.5588","0.001","11.7643","0.0011","17.2263","0.0016","90","","99.929","0.002","90","","2107.7","0.3","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(Acetato-κ^2^<i>O</i>,<i>O</i>')(1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)nickel(II) hexafluoridophosphate","","- C14 H31 F6 N4 Ni O2 P -","- C14 H31 F6 N4 Ni O2 P -","- C56 H124 F24 N16 Ni4 O8 P4 -","4","1","SF3230","Wallick, Jessica L.; Riordan, Charles G.; Yap, Glenn P. A.","Acetate and acetamide complexes of [Ni(Me~4~[12]aneN~4~)]PF~6~: a tale of two ligands","Acta Crystallographica Section C","2014","70","7","640","643","10.1107/S2053229614011620","","","0.71073","MoKα","","0.0507","0.0414","","","0.0851","0.0911","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019589","20.7814","0.001","10.374","0.0004","32.6452","0.0019","90","","93.427","0.004","90","","7025.3","0.6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","9-[(Biphenyl-2-yl)oxy]-10-oxa-9-boraphenanthrene","","- C24 H17 B O2 -","- C24 H17 B O2 -","- C384 H272 B16 O32 -","16","4","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.0782","0.0548","","","0.1309","0.1422","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019719","4.87","0.0007","18.694","0.003","17.196","0.003","90","","98.05","0.005","90","","1550.1","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(Furan-2-yl)-1-[(furan-2-yl)methyl]-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","","- C16 H15 Cl N2 O3 -","- C16 H15 Cl N2 O3 -","- C64 H60 Cl4 N8 O12 -","4","1","LG3149","Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.","Structure determination of three furan-substituted benzimidazoles and calculation of π‒π and C—H···π interaction energies","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402405X","","","0.71073","MoKa","","0.0433","0.0374","","","0.0901","0.0939","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019786","14.1037","0.0007","7.4955","0.0004","14.5827","0.0008","90","","107.053","0.002","90","","1473.82","0.14","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichlorido{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazide-κ^2^<i>N</i>',<i>O</i>}manganese(II)","","- C12 H11 Cl2 Mn N5 O -","- C12 H11 Cl2 Mn N5 O -","- C48 H44 Cl8 Mn4 N20 O4 -","4","1","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0305","0.0277","","","0.0652","0.0669","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019821","15.865","0.0012","9.0396","0.0003","14.8223","0.0018","90","","120.82","0.007","90","","1825.5","0.3","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>fac</i>-Trichloridotris(trimethylphosphane-κ<i>P</i>)rhodium monohydrate","","- C9 H29 Cl3 O P3 Rh -","- C9 H29 Cl3 O P3 Rh -","- C36 H116 Cl12 O4 P12 Rh4 -","4","1","PK2543","Merola, Joseph S.; Franks, Marion A.","Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","226","","10.1107/S2056989015001516","","","0.71073","MoKα","","0.0233","0.023","","","0.0583","0.0585","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019842","23.24","0.004","9.4869","0.0015","10.7258","0.0017","90","","105.82","0.002","90","","2275.2","0.6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-(Pyridin-3-yl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","<i>N</i>-(Pyridin-3-yl)-<i>exo</i>-norbornene-5,6-dicarboximide","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","2","KY3070","Vazquez-Vuelvas, Oscar F.; Hernández-Madrigal, Julia V.; Pineda-Contreras, Armando; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","Exoconformers ofN-(pyridin-2-yl)- andN-(pyridin-3-yl)norbornene-5,6-dicarboximide crystals","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001886","","","0.71073","MoKα","","0.0709","0.0596","","","0.1339","0.1388","","","","","","0.952","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019975","8.426","0.0012","14.832","0.002","14.007","0.002","90","","101.677","0.002","90","","1714.3","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Chlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) perchlorate","","- C15 H17 Cl2 Cu N3 O4 -","- C15 H17 Cl2 Cu N3 O4 -","- C60 H68 Cl8 Cu4 N12 O16 -","4","1","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","","0.0495","0.0397","","","0.0929","0.0981","","","","","","0.977","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2020017","22.2647","0.0016","14.6139","0.0011","18.6288","0.0014","90","","102.447","0.001","90","","5918.9","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[1,1'''-Bis(pyrimidin-2-yl)-4,4':2',2'':4'',4'''-quaterpyridine-1,1'''-diium-κ^2^<i>N</i>^1'^,<i>N</i>^1''^]bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate","","- C56 H45 F18 Ir N13 P3 -","- C56 H45 F18 Ir N13 P3 -","- C224 H180 F72 Ir4 N52 P12 -","4","1","ZL2625","Coe, Benjamin J.; Peers, Martyn K.; Raftery, James; Scrutton, Nigel S.","Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ2N1′,N1′′]bis[2-(pyridin-2-yl)phenyl-κ2N,C1]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","8","879","","10.1107/S2056989015012463","","","0.71073","MoKα","","0.052","0.0407","","","0.0891","0.0926","","","","","","0.998","","","","has coordinates,has Fobs","139968","2020-10-21","18:00:00",""
"2020237","17.25","","9.767","","17.106","","90","","110.9","","90","","2692.41","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Li Zn (P O4)","","- Li O4 P Zn -","- Li O4 P Zn -","- Li32 O128 P32 Zn32 -","32","8","","Elammari, L.; Elouadi, B.","Structure of alpha - Li Zn P O4","Acta Crystallographica C (39,1983-)","1989","45","","1864","1867","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020366","14.394","","24.544","","26.616","","90","","89.98","","90","","9403.07","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","K2 (Zn Cl4)","","- Cl4 K2 Zn -","- Cl4 K2 Zn -","- Cl192 K96 Zn48 -","48","12","","Mashiyama, H.","Low-temperature commensurate phase of potassium tetrachlorozincate, K2 Zn Cl4","Acta Crystallographica C (39,1983-)","1993","49","","9","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020484","10.9248","0.0009","21.5339","0.0018","15.071","0.0012","90","","101.851","0.001","90","","3469.9","0.5","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","[2,6-Bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","","- C29 H41 Cl N2 Ni O8 P2 -","- C29 H41 Cl N2 Ni O8 P2 -","- C116 H164 Cl4 N8 Ni4 O32 P8 -","4","1","","García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","Acta Crystallographica Section C","2016","72","5","393","397","10.1107/S2053229616005143","","","0.71073","MoKα","","0.0505","0.0417","","","0.086","0.0899","","","","","","0.98","","","","has coordinates,has Fobs","183643","2020-10-21","18:00:00",""
"2020974","10.0743","0.001","14.383","0.001","18.647","0.002","90","","100.427","0.008","90","","2657.3","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒<i>N</i>,<i>N</i>-dimethylformamide (2/2/1)","","- C21 H31 N13 O3 S2 -","- C21 H31 N13 O3 S2 -","- C84 H124 N52 O12 S8 -","4","1","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0426","0.0366","","","0.0884","0.0908","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2021057","11.5095","0.0004","12.0788","0.0005","9.5184","0.0004","90","","91.063","0.003","90","","1323.03","0.09","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Diaqua{4-[(pyrimidin-2-ylazanidyl-κ<i>N</i>^1^)sulfonyl-κ<i>O</i>]aniline}lithium(I)","","- C10 H13 Li N4 O4 S -","- C10 H13 Li N4 O4 S -","- C40 H52 Li4 N16 O16 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0274","0.0262","","","0.0643","0.0655","","","","","","1.036","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021228","12.712","0.0005","17.105","0.0006","18.144","0.001","90","","91.47","0.002","90","","3943.9","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetraethylammonium <i>fac</i>-tris(μ-2-methoxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[tricarbonylrhenium(I)]","","- C35 H41 N O9 Re2 S3 -","- C35 H41 N O9 Re2 S3 -","- C140 H164 N4 O36 Re8 S12 -","4","1","YP3163","Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie","Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms","Acta Crystallographica Section C","2018","74","10","1116","1122","10.1107/S205322961801207X","","","0.71073","MoKα","","0.0435","0.0328","","","0.0634","0.0682","","","","","","0.918","","","","has coordinates,has disorder,has Fobs","211784","2020-10-21","18:00:00",""
"2021360","13.095","0.003","9.2984","0.0019","23.685","0.005","90","","93.95","0.03","90","","2877.1","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5,6-Dimethyl-2-phenylethylbenzo[<i>d</i>]imidazole methanol hemisolvate","","- C17.5 H18 N2 O0.5 -","- C17.5 H18 N2 O0.5 -","- C140 H144 N16 O4 -","8","2","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54184","CuKα","","0.0613","0.0548","","","0.1481","0.1562","","","","","","1.041","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021631","12.901","0.0015","20.055","0.003","8.7001","0.0013","90","","123.161","0.007","90","","1884.4","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>RS</i>)-(<i>E</i>)-4-[2-(4-Chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C21 H20 Cl N5 -","- C21 H20 Cl N5 -","- C84 H80 Cl4 N20 -","4","1","OV3128","Acosta Quintero, Lina M.; Palma, Alirio; Choquesillo-Lazarte, Duane; Cobo, Justo; Glidewell, Christopher","Monoclinic and orthorhombic forms of (<i>RS</i>)-(<i>E</i>)-4-[2-(4-chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine: synthesis, concomitant polymorphism and supramolecular assembly mediated by C—H···N, C—H···π(arene) and C—Cl···π(arene) interactions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S205322961900617X","","","1.54178","CuKα","","0.0504","0.0415","","","0.0973","0.1047","","","","","","1.045","","","","has coordinates,has Fobs","215300","2020-10-21","18:00:00",""
"2021678","6.401","0.0013","21.35","0.004","18.19","0.004","90","","94.83","0.03","90","","2477","0.9","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","4-<i>tert</i>-Butyl-2,6-bis[3-(4-methylphenyl)prop-2-yn-1-ylidene]cyclohexanone","","- C30 H30 O -","- C30 H30 O -","- C120 H120 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","","0.21","0.1396","","","0.3023","0.3392","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","216074","2020-10-21","18:00:00",""
"2021810","18.644","0.002","18.646","0.002","26.106","0.003","90","","107.16","0.001","90","","8671.4","1.7","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[tetrakis(μ~4~-2,2'-difluoro-4,4'-biphenyldicarboxylato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)tetrakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tetrakis(μ~3~-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)hexacadmium(II)]","","- C76 H60 Cd6 F8 N16 O20 -","- C76 H60 Cd6 F8 N16 O20 -","- C304 H240 Cd24 F32 N64 O80 -","4","1","YF3133","Zhang, Yuchi; Wu, Yuanhua; He, Xin; Ma, Junhan; Shen, Xuan; Zhu, Dunru","Topological identification of the first uninodal 8-connected lsz MOF built from 2,2'-difluorobiphenyl-4,4'-dicarboxylate pillars and cadmium(II)‒triazolate layers","Acta Crystallographica Section C","2018","74","3","256","262","10.1107/S2053229618001432","","","0.71073","MoKα","","0.0477","0.0465","","","0.1088","0.1095","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","227649","2020-10-21","18:00:00",""
"2021828","26.159","0.003","6.4931","0.0004","12.807","0.0014","90","","106.338","0.008","90","","2087.5","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Nitrophenol‒1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (2:1)","","- C20 H26 N6 O6 -","- C20 H26 N6 O6 -","- C80 H104 N24 O24 -","4","1","SK3740","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns","Acta Crystallographica Section C","2019","75","12","","","10.1107/S205322961901516X","","","0.71073","MoKα","","0.0393","0.0362","","","0.0853","0.0867","","","","","","1.082","","","","has coordinates,has Fobs","232465","2020-10-21","18:00:00",""
"2022188","13.368","0.005","11.262","0.005","9.266","0.004","90","","118.83","0.03","90","","1222.1","1","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","Magnesium carbonate chloride heptahydrate","","- C H14 Cl2 Mg2 O10 -","- C H14 Cl2 Mg2 O10 -","- C4 H56 Cl8 Mg8 O40 -","4","1","UK3196","Rincke, Christine; Schmidt, Horst; Buth, Gernot; Voigt, Wolfgang","Crystal structure and characterization of magnesium carbonate chloride heptahydrate","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620008153","","","0.8","synchrotron","","0.0748","0.0529","","","0.136","0.1605","","","","","","1.123","","","","has coordinates,has Fobs","254145","2020-10-21","18:00:00",""
"2022195","15.8623","0.0004","20.7547","0.0006","21.8096","0.0006","90","","107.576","0.002","90","","6844.9","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","Tetrakis(caffeinium) μ~12~-silicato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten trihydrate","Tetrakis(1,3,7-trimethylxanthinium) μ~12~-silicato-tetracosa-μ~2~-oxido-dodecaoxidododecatungsten trihydrate","","- C32 H50 N16 O51 Si W12 -","- C32 H50 N16 O51 Si W12 -","- C128 H200 N64 O204 Si4 W48 -","4","1","JX3058","Panteleieva, Olha S.; Ponomarova, Vira V.; Shtemenko, Alexander V.; Domasevitch, Kostiantyn V.","Supramolecular networks supported by the anion···π linkage of Keggin-type heteropolyoxotungstates","Acta Crystallographica Section C","2020","76","8","","","10.1107/S205322962000950X","","","0.71073","MoKα","","0.0535","0.0478","","","0.1305","0.1336","","","","","","1.076","","","","has coordinates,has Fobs","254469","2020-10-21","18:00:00",""
"2022258","12.3766","0.0003","10.7745","0.0002","9.205","0.0002","90","","104.777","0.002","90","","1186.9","0.05","130","1","130","1","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2'-Disulfanediylbis(pyrimidine-4,6-diamine)","","- C8 H10 N8 S2 -","- C8 H10 N8 S2 -","- C32 H40 N32 S8 -","4","1","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.059","0.0591","","","","","","1.073","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2022296","25.8944","0.0013","6.9439","0.0004","6.1499","0.0004","90","","91.381","0.005","90","","1105.48","0.11","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<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","","0.042","0.039","","","0.0958","0.0995","","","","","","1.053","","","","has coordinates,has Fobs","259635","2020-12-07","01:01:15",""
"2022395","11.062","0.004","8.369","0.003","27.406","0.006","90","","92.44","0.03","90","","2534.9","1.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Aquabromidobis[4-methyl-7-(pyrazin-2-yl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole]copper(II) bromide trihydrate","","- C16 H22 Br2 Cu N14 O4 -","- C16 H22 Br2 Cu N14 O4 -","- C64 H88 Br8 Cu4 N56 O16 -","4","1","JX3062","Parisi, Emmanuele; Centore, Roberto","Stabilization of an elusive tautomer by metal coordination","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006203","","x-ray","0.71073","MoKα","","0.0374","0.0327","","","0.0781","0.0808","","","","","","1.043","","","","has coordinates,has Fobs","266663","2021-06-24","04:49:29",""
"2022622","9.4539","0.0006","29.9892","0.0015","13.1934","0.001","90","","106.454","0.007","90","","3587.3","0.4","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","5-Aminotetrazole–3,5-dihydroxybenzoic acid–water (1/4/6)","","- C29 H39 N5 O22 -","- C29 H39 N5 O22 -","- C116 H156 N20 O88 -","4","1","ZO3022","Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford","Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006519","","x-ray","0.71073","MoKα","","0.17","0.0664","","","0.1179","0.1519","","","","","","0.976","","","","has coordinates,has Fobs","276306","2022-06-28","01:47:50",""
"2022652","16.8354","0.001","6.787","0.0004","10.1499","0.0006","90","","93.71","0.003","90","","1157.32","0.12","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetralithium cadmium digermanium heptasulfide","","- Cd Ge2 Li4 S7 -","- Cd Ge2 Li4 S7 -","- Cd4 Ge8 Li16 S28 -","4","1","WP3029","Craig, Andrew J.; Shin, Seung Han; Cho, Jeong Bin; Balijapelly, Srikanth; Kelly, Jordan C.; Stoyko, Stanislav S.; Choudhury, Amitava; Jang, Joon I.; Aitken, Jennifer A.","Crystal structure, electronic structure, and optical properties of the novel Li~4~CdGe~2~S~7~, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite","Acta Crystallographica Section C","2022","78","9","","","10.1107/S2053229622008014","","","0.71073","MoKα","","0.0104","0.0102","","","0.0239","0.0239","","","","","","1.076","","","","has coordinates,has Fobs","277355","2022-08-23","01:40:00",""
"2022744","8.675","0.0003","55.2061","0.0019","12.3988","0.0004","90","","108.238","0.002","90","","5639.7","0.3","90","0.2","90","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","Amitriptynolium 3,4-dimethoxybenzoate trihydrate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium 3,4-dimethoxybenzoate trihydrate","","- C29 H41 N O8 -","- C29 H41 N O8 -","- C232 H328 N8 O64 -","8","2","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","1.54178","CuKα","","0.0362","0.031","","","0.0715","0.0744","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","284381","2023-06-06","05:33:39",""
"2022862","8.4573","0.0001","23.5853","0.0003","11.0072","0.0001","90","","111.749","0.002","90","","2039.29","0.05","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2<i>Z</i>,2'<i>E</i>)-2,2'-(3-Methoxy-3-phenylpropane-1,2-diylidene)bis(2-methylhydrazine-1-carbothioamide) dimethylformamide monosolvate","","- C15 H23 N7 O2 S2 -","- C15 H23 N7 O2 S2 -","- C60 H92 N28 O8 S8 -","4","1","YZ2041","Guseinov, Firudin I.; Knyazev, Aleksandr V.; Shuvalova, Elena V.; Kobrakov, Konstantin I.; Samigullina, Aida I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","10","","","10.1107/S2056989023007946","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0874","0.0877","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","286352","2023-09-15","01:45:44",""
"2022990","12.3588","0.0003","12.7942","0.0003","12.2759","0.0003","90","","105.4","0.001","90","","1871.38","0.08","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Pyrrolidinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 P -","- C5 H11 F6 N2 P -","- C40 H88 F48 N16 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","","","1.54178","CuKα","","0.0492","0.0488","","","0.1343","0.1345","","","","","","1.074","","","","has coordinates,has Fobs","289689","2024-02-05","12:07:01",""
"2023083","11.902","0.0002","26.4007","0.0002","7.1933","0.0001","90","","104.299","0.001","90","","2190.26","0.05","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C20 H21 Co N5 O3 S2 -","- C20 H21 Co N5 O3 S2 -","- C80 H84 Co4 N20 O12 S8 -","4","1","JP2003","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of the trigonal–bipyramidal complex tris(2-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003050","","x-ray","1.54184","CuKα","","0.0334","0.0331","","","0.0887","0.089","","","","","","1.037","","","","has coordinates","291226","2024-04-16","02:12:09",""
"2100032","3.854","","14.985","","14.476","","90","","93.03","","90","","834.852","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2100046","10.912","","21.334","","19.529","","90","","106.02","","90","","4369.73","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H50 N2 O2 Ti -","- C56 H50 N2 O2 Ti -","- C224 H200 N8 O8 Ti4 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2100076","8.016","","14.258","","12.6","","90","","104.35","","90","","1395.15","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C52 H56 N8 O20 S4 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2100078","12.426","","22.219","","8.782","","90","","94.63","","90","","2416.74","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H46 Cl12 N O2.5 Te6 -","- C18 H36 Cl12 Te6 -","- C36 H72 Cl24 Te12 -","2","0.5","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2100397","21.4","0.02","21.68","0.02","14.78","0.02","90","","90","0.03","90","","6857","13","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H108 O20 P4 Re4 U -","- C48 H108 O20 P4 Re4 U -","- C192 H432 O80 P16 Re16 U4 -","4","1","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71069","MoKα","","0.0328","0.0321","","","0.0794","0.0798","","","","","","1.047","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100585","13.8494","0.0004","10.0495","0.0003","9.4203","0.0003","90","","105.235","0.0016","90","","1265.03","0.07","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(3-iodophenyl)-3-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","BM5035","Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher","Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures","Acta Crystallographica, Section B","2006","62","2","931","943","10.1107/S0108768106029053","","","0.71073","MoKα","","0.0185","0.018","","","0.0525","0.0527","","","","","","1.244","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100699","5.44014","0.0001","130.295","0.007","8.2209","0.0003","90","","88.7547","0.0016","90","","5825.8","0.4","298","","298","","","","","","","","","3","C 1 c 1","C -2yc","9","SOS-beta2","1,3-distearoyl-2-oleoylglycerol","","- C57 H108 O6 -","- C56.9996 H108 O6 -","- C227.998 H432 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","1.54059","CuKα~1~","","","","","","","","","","3.86","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100700","5.44219","0.00006","127.638","0.008","8.21365","0.00017","90","","88.6936","0.0009","90","","5704","0.4","280","","285","","","","","","","","","3","C 1 c 1","C -2yc","9","Ivory Coast cocoa butter","","","- C55 H108 O6 -","- C55 H108 O6 -","- C220 H432 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","1.24993","synchrotron","","","","","","","","","","3.15","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2100701","5.44708","0.00008","121.622","0.004","8.2196","0.0002","90","","88.7785","0.0014","90","","5444.1","0.2","280","","295","","","","","","","","","3","C 1 c 1","C -2yc","9","POP beta2","1,3-dipalmitoyl-2-oleoylglycerol","","- C53 H100 O6 -","- C53 H100 O6 -","- C212 H400 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","1.24993","","","","","","","","","","","4.37","","","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100702","5.4243","0.0002","126.529","0.012","8.1206","0.0005","90","","88.51","0.003","90","","5571.5","0.7","250","","295","","","","","","","","","3","C 1 c 1","C -2yc","9","POS beta2","1-palmitoyl-2-oleoyl-3-stearoylglycerol","","- C55 H104 O6 -","- C55 H104 O6 -","- C220 H416 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","0.79948","","","","","","","","","","","5.07","","","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100703","5.4375","0.0003","135.29","0.03","8.213","0.0007","90","","88.644","0.005","90","","6040.1","1.5","298","","295","","","","","","","","","3","C 1 c 1","C -2yc","9","SOA beta2","1-stearoyl-2-oleoyl-3-arachidoylglycerol","","- C59 H112 O6 -","- C58.9996 H112 O6 -","- C235.998 H448 O24 -","4","1","DR5012","van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk.","Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph","Acta Crystallographica Section B","2006","62","6","1131","1138","10.1107/S0108768106037086","","","1.54059","CuKα~1~","","","","","","","","","","2.7","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100805","21.228","0.006","8.02","0.002","20.865","0.005","90","","105.2","0.1","90","","3428","2","","","","","","","","","","","","7","C 1 c 1","C -2yc","","","","","- C31 H32 B2 Cl2 Fe2 N6 O7 -","- C31 H32 B2 Cl2 Fe2 N6 O7 -","- C124 H128 B8 Cl8 Fe8 N24 O28 -","4","1","ST0523","Vasilevsky, I.; Rose, N. J.; Stenkamp, R. E.","Structural studies of oxygen-bridged iron compounds","Acta Crystallographica Section B","1992","48","4","444","449","10.1107/S0108768192000107","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101019","5.1138","0.0002","8.8569","0.0004","19.1851","0.001","90","","95.484","0.004","90","","864.96","0.07","","","","","","","","","","","","9","C 1 c 1","C -2yc","","","","","- Al4 Ca Fe H2 Li Mg Na O12 Si -","- Al4 Ca H4 Li O12 Si2 -","- Al16 Ca4 H16 Li4 O48 Si8 -","4","1","SH0027","Kassner, D.; Baur, W. H.; Joswig, W.; Eichhorn, K.; Wendschuh-Josties, M.; Kupcik, V.","A test of the importance of weak reflections in resolving a space-group ambiguity involving the presence or absence of an inversion centre","Acta Crystallographica Section B","1993","49","4","646","654","10.1107/S010876819300309X","","","0.5607","Ag","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101425","25.387","0.004","7.6825","0.0006","17.803","0.003","90","","108.217","0.017","90","","3298.2","0.9","294","1","294","1","","","","","","","","4","C 1 c 1","C -2yc","9","1-Ferrocenyl-1-phenyl-2-methylpropan-1-ol","1-Ferrocenyl-1-phenyl-2-methylpropan-1-ol","","- C20 H22 Fe O -","- C20 H22 Fe O -","- C160 H176 Fe8 O8 -","8","2","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","0.7107","MolybdenumKα","","0.027","0.022","","0.036","0.035","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101436","37.754","0.007","5.4109","0.0008","41.07","0.009","90","","103.58","0.02","90","","8155","3","","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- Bi2 Ca Cu2 O8 Sr2 -","- Bi2 Ca Cu2 O8.22222 Sr2 -","- Bi72 Ca36 Cu72 O296 Sr72 -","36","9","DU0400","Gladyshevskii, R. E.; Flükiger, R.","Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry","Acta Crystallographica Section B","1996","52","1","38","53","10.1107/S0108768195007075","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101824","18.091","0.004","13.719","0.003","11.539","0.002","90","","111.93","0.03","90","","2656.6","1.1","291","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H40 Cl N7 Se3 -","- C15 H40 Cl N7 Se3 -","- C60 H160 Cl4 N28 Se12 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.051","","","0.051","","","","","1.66","1.66","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101825","18.309","0.004","13.807","0.003","11.577","0.002","90","","112.45","0.03","90","","2704.8","1.1","291","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H40 Br N7 Se3 -","- C15 H40 Br N7 Se3 -","- C60 H160 Br4 N28 Se12 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.049","","","0.048","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102187","11.5945","0.0003","12.2912","0.0004","7.8944","0.0002","90","","90.018","0.001","90","","1125.03","0.05","90","2","90","2","","","","","","","","3","C 1 c 1","C -2yc","9","DCNP","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","HA0196","Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.","Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction","Acta Crystallographica Section B","2000","56","6","1085","1093","10.1107/S0108768100008855","","","0.71073","MoKα","","0.0412","0.0348","","0.085","","0.0787","","","1.158","","","1.117","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102188","11.5972","0.0002","12.2873","0.0002","7.8877","0.0001","90","","90.021","0.001","90","","1123.98","0.03","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","DCNP","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","HA0196","Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.","Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction","Acta Crystallographica Section B","2000","56","6","1085","1093","10.1107/S0108768100008855","","","0.71073","MoKα","","0.1245","0.0763","","0.0814","","0.0745","","","2.382","","","2.846","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102189","11.7304","0.0004","12.3278","0.0002","7.8844","0.0002","90","","90.173","0.002","90","","1140.16","0.05","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","DCNP","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","HA0196","Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.","Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction","Acta Crystallographica Section B","2000","56","6","1085","1093","10.1107/S0108768100008855","","","0.71073","MoKα","","0.0636","0.0463","","0.0743","","0.0678","","","1.668","","","1.721","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102190","11.8751","0.0005","12.3735","0.0005","7.8876","0.0003","90","","90.412","0.002","90","","1158.95","0.08","290","2","290","2","","","","","","","","3","C 1 c 1","C -2yc","9","DCNP","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","HA0196","Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.","Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction","Acta Crystallographica Section B","2000","56","6","1085","1093","10.1107/S0108768100008855","","","0.71073","MoKα","","0.0826","0.0514","","0.1106","","0.0886","","","1.305","","","1.297","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102191","11.571","0.002","12.258","0.003","7.868","0.002","90","","90.11","0.03","90","","1116","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","DCNP","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","HA0196","Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.","Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction","Acta Crystallographica Section B","2000","56","6","1085","1093","10.1107/S0108768100008855","","neutron","","PulsedneutronsatISIS,UK","","0.0737","0.0731","","0.1073","","0.0832","","","4.016","","","4.016","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102478","7.5542","0.0006","11.3112","0.0009","13.4773","0.001","90","","95.92","0.006","90","","1145.45","0.15","90","1","90","1","","","","","","","","4","C 1 c 1","C -2yc","9","","4(5)-nitro-5(4)-methoxy-1H-imidazole","","- C4 H5 N3 O3 -","- C4 H5 N3 O3 -","- C32 H40 N24 O24 -","8","2","BK5004","Kubicki, Maciej","Two tautomers in one crystal: 4(5)-nitro-5(4)-methoxyimidazole","Acta Crystallographica Section B","2004","60","2","191","196","10.1107/S0108768104003179","","","0.71073","MoKα","","0.0386","0.0285","","","0.0701","0.0735","","","","","","1.06","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102489","10.56","0.004","10.56","0.004","11.952","0.011","90","","116.216","","90","","1195.7","1.3","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","Sulfuric acid octahydrate","","","- H18 O12 S -","- H18 O12 S -","- H72 O48 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102490","10.56","0.004","10.56","0.004","11.952","0.011","90","","116.216","","90","","1195.7","1.3","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","Sulfuric acid octahydrate","","","- H18 O12 S -","- H18 O12 S -","- H72 O48 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102756","4.8443","0.0002","22.7344","0.0016","11.4216","0.0008","90","","97.636","0.004","90","","1246.73","0.13","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine, Cc polymorph","","- C12 H9 Cl N4 O3 -","- C12 H9 Cl N4 O3 -","- C48 H36 Cl4 N16 O12 -","4","1","WS5049","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions","Acta Crystallographica Section B","2007","63","1","101","110","10.1107/S0108768106041358","","","0.71073","MoKα","","0.0443","0.0337","","","0.0706","0.0753","","","","","","1.062","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102760","4.5811","0.0001","24.8913","0.0013","11.2782","0.0006","90","","94.095","0.003","90","","1282.76","0.1","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-(2-chloronicotinoyl)-2-(4-nitrophenyl)hydrazine","","- C12 H9 Cl N4 O3 -","- C12 H9 Cl N4 O3 -","- C48 H36 Cl4 N16 O12 -","4","1","WS5049","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions","Acta Crystallographica Section B","2007","63","1","101","110","10.1107/S0108768106041358","","","0.71073","MoKα","","0.0408","0.0357","","","0.0811","0.0838","","","","","","1.052","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102825","4.2021","0.0003","21.0409","0.0013","14.3803","0.0009","90","","96.248","0.001","90","","1263.9","0.14","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-2-bromobenzaldehyde 4-cyanophenylhydrazone","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","GP5015","Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.","Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones","Acta Crystallographica Section B","2007","63","3","485","496","10.1107/S0108768107018034","","","0.71073","MoKα","","0.0288","0.0258","","","0.0598","0.0613","","","","","","1.041","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102826","4.4902","0.0004","19.9376","0.0017","14.3182","0.0012","90","","92.884","0.001","90","","1280.2","0.19","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-4-cyanobenzaldehyde 2-bromophenylhydrazone","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","GP5015","Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.","Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones","Acta Crystallographica Section B","2007","63","3","485","496","10.1107/S0108768107018034","","","0.71073","MoKα","","0.0254","0.0237","","","0.0525","0.0533","","","","","","1.062","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103046","23.628","0.003","7.5461","0.0009","5.8066","0.0007","90","","97.919","0.005","90","","1025.4","0.2","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H9 Br O -","- C12 H9 Br O -","- C48 H36 Br4 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","","0.026","0.0241","","","0.0618","0.0631","","","","","","1.08","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103051","6.0033","0.0007","23.186","0.003","7.4329","0.0008","90","","91.48","0.005","90","","1034.3","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- 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","","0.0295","0.0266","","","0.063","0.0651","","","","","","1.025","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103067","18.733","0.004","3.8502","0.0008","14.839","0.003","90","","99.472","0.003","90","","1055.7","0.4","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","N-(2-chloro-4-fluorophenyl)pyrazinecarboxamide","","- C11 H7 Cl F N3 O -","- C11 H7 Cl F N3 O -","- C44 H28 Cl4 F4 N12 O4 -","4","1","BM5049","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Ferreira, Marcelle de L.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Patterns of hydrogen bonding in mono- and di-substituted <i>N</i>-arylpyrazinecarboxamides","Acta Crystallographica Section B","2008","64","1","84","100","10.1107/S0108768107051804","","","0.6709","synchrotron","","0.0355","0.0341","","","0.0896","0.0908","","","","","","1.07","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103074","10.4716","0.0009","20.0027","0.0018","12.1529","0.0009","90","","107.818","0.004","90","","2423.4","0.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","11-(3,4,5-trimethoxyphenyl)-10-methyl-8-phenyl-6,8- dihydro-5H-benzo[f]pyrazolo[3,4-b]quinoline","","- C30 H27 N3 O3 -","- C30 H27 N3 O3 -","- C120 H108 N12 O12 -","4","1","BM5050","Portilla, Jaime; Quiroga, Jairo; Nogueras, Manuel; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Structural comparisons of isomeric series of 7-aryl-benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinolines and 11-aryl-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section B","2008","64","1","72","83","10.1107/S0108768107065743","","","0.71073","MoKα","","0.1473","0.0546","","","0.108","0.1519","","","","","","1.076","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103228","5.0246","0.0001","13.0735","0.0004","20.884","0.0006","90","","96.835","0.0013","90","","1362.1","0.06","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","N-(4'-Nitrophenylsulfonyl)-4-iodoaniline","","- C12 H9 I N2 O4 S -","- C12 H9 I N2 O4 S -","- C48 H36 I4 N8 O16 S4 -","4","1","NA0127","Kelly, Craig J.; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I···O interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","1","94","108","10.1107/S0108768101016858","","","0.71073","MoKα","","0.0304","0.0279","","","0.0716","0.0836","","","","","","1.118","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103238","18.4057","0.0008","9.6927","0.0004","13.4648","0.0005","90","","96.724","0.002","90","","2385.61","0.17","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[Aqua-(5-hydroxyisophthalato)-1,4,8,11- tetraazacyclotetradecanenickel(II)] tetrahydrate","","- C18 H38 N4 Ni O10 -","- C18 H38 N4 Ni O10 -","- C72 H152 N16 Ni4 O40 -","4","1","NA0129","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","[Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions","Acta Crystallographica Section B","2002","58","1","78","93","10.1107/S010876810101850X","","","0.71073","MoKα","","0.0397","0.0344","","","0.0782","0.0817","","","","","","1.031","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104174","5.932","0.004","8.259","0.005","8.598","0.005","90","","93.64","0.05","90","","420.4","0.5","296","","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-amino-1-propanol","","- C3 H9 N O -","- C3 H9 N O -","- C12 H36 N4 O4 -","4","1","SO5013","Gajda, Roman; Katrusiak, Andrzej","Pressure-freezing with conformational conversion of 3-aminopropan-1-ol molecules","Acta Crystallographica Section B","2008","64","4","476","482","10.1107/S0108768108012779","","","0.71073","MoKα","","0.0404","0.0388","","","0.108","0.1103","","","","","","1.131","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104175","5.853","0.005","8.123","0.01","8.428","0.003","90","","91.99","0.05","90","","400.5","0.6","296","","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-amino-1-propanol","","- C3 H9 N O -","- C3 H9 N O -","- C12 H36 N4 O4 -","4","1","SO5013","Gajda, Roman; Katrusiak, Andrzej","Pressure-freezing with conformational conversion of 3-aminopropan-1-ol molecules","Acta Crystallographica Section B","2008","64","4","476","482","10.1107/S0108768108012779","","","0.71073","MoKα","","0.0493","0.0439","","","0.1157","0.1217","","","","","","1.091","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104176","5.8288","0.0019","8.052","0.005","8.343","0.003","90","","91.67","0.03","90","","391.4","0.3","296","","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-amino-1-propanol","","- C3 H9 N O -","- C3 H9 N O -","- C12 H36 N4 O4 -","4","1","SO5013","Gajda, Roman; Katrusiak, Andrzej","Pressure-freezing with conformational conversion of 3-aminopropan-1-ol molecules","Acta Crystallographica Section B","2008","64","4","476","482","10.1107/S0108768108012779","","","0.71073","MoKα","","0.0314","0.0293","","","0.0874","0.0908","","","","","","1.234","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104199","14.4681","0.0017","11.1378","0.0017","7.4534","0.0007","90","","116.535","0.007","90","","1074.5","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H13 Cl N4 O -","- C10 H13 Cl N4 O -","- C40 H52 Cl4 N16 O4 -","4","1","BM5057","Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions","Acta Crystallographica Section B","2008","64","5","596","609","10.1107/S0108768108019915","","","0.71073","MoKα","","0.0613","0.0378","","","0.0756","0.087","","","","","","1.112","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104208","15.9423","0.0007","5.0984","0.0003","10.5534","0.0005","90","","110.57","0.002","90","","803.09","0.07","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","barbituric acid urea addition compound","2,4,6(1H,3H,5H)-Pyrimidinetrione urea addition compound","","- C5 H8 N4 O4 -","- C5 H8 N4 O4 -","- C20 H32 N16 O16 -","4","1","BS5065","Gryl, Marlena; Krawczuk, Anna; Stadnicka, Katarzyna","Polymorphism of urea‒barbituric acid co-crystals","Acta Crystallographica Section B","2008","64","5","623","632","10.1107/S0108768108026645","","","0.71073","MoKα","","0.0352","0.0325","","0.0846","","0.0827","","","1.059","","","1.059","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104232","22.8887","0.0007","5.0315","0.0002","9.1377","0.0003","90","","105.387","0.002","90","","1014.62","0.06","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","5-phenylsulfonyl-methylene-1H-tetrazol","","- C8 H8 N4 O2 S -","- C8 H8 N4 O2 S -","- C32 H32 N16 O8 S4 -","4","1","BS5063","Kalinowska-Tłuścik, Justyna; Jarzembek, Krystyna; Śliwiński, Jan; Oleksyn, Barbara J.; Kozik, Violetta; Polański, Jarosław","Bitter sweeteners: tetrazole derivatives of arylsulfonylalcanoids ‒ synthesis, structure and comparative study","Acta Crystallographica Section B","2008","64","6","760","770","10.1107/S0108768108027481","","","0.71073","MoKα","","","0.0451","","","","0.1158","","","","","","0.952","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104261","5.4489","0.00006","104.424","0.003","8.1428","0.00014","90","","88.5014","0.0011","90","","4631.64","0.16","243","","243","","","","","","","","","3","C 1 c 1","C -2yc","9","β~2~-3 LaOLa","1,3-dilauroyl-2-oleoylglycerol","","- C45 H84 O6 -","- C45 H84 O6 -","- C180 H336 O24 -","4","1","DR5021","van Mechelen, Jan B.; Goubitz, Kees; Pop, Mihaela; Peschar, Rene; Schenk, Henk","Structures of mono-unsaturated triacylglycerols. V. The β'~1~-2, β'-3 and β~2~-3 polymorphs of 1,3-dilauroyl-2-oleoylglycerol (LaOLa) from synchrotron and laboratory powder diffraction data","Acta Crystallographica Section B","2008","64","6","771","779","10.1107/S0108768108031601","","","0.850047","synchrotron","","","","","","","","","","2.49","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104543","22.744","0.004","7.138","0.002","21.509","0.004","90","","120.197","0.004","90","","3018.1","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(mu(2)-5-Nitroisophthalato-O,O')-aqua-hexamethyl-di-tin(iv) 1,10-phenanthroline","","- C26 H31 N3 O7 Sn2 -","- C26 H31 N3 O7 Sn2 -","- C104 H124 N12 O28 Sn8 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104544","15.16","0.002","4.8871","0.0005","21.788","0.003","90","","98.02","0.01","90","","1598.5","0.3","298","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Beta-naphthaflavone 4'-propargyl ether","","- C22 H14 O3 -","- C22 H14 O3 -","- C88 H56 O12 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7093","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104602","16.058","","17.557","","20.922","","90","","93.144","","90","","5889.67","","","","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[N-methyl-N,N',N'-tris(2-pyridylmethylethane-1,2-diamine Mn H2O] ](BPh4)2","","- C69 H67 B2 Mn N5 O -","- C69 H65 B2 Mn N5 O -","- C276 H260 B8 Mn4 N20 O4 -","4","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","x-ray","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104842","19.9575","0.0007","10.0329","0.0003","9.9849","0.0003","90","","106.64","0.002","90","","1915.57","0.11","88","2","88","2","","","","","","","","4","C 1 c 1","C -2yc","9","Dibenzylammonium 2-azidebenzoate","Dibenzylammonium 2-azidebenzoate","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","OG5043","Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation","Acta Crystallographica Section B","2010","66","6","647","661","10.1107/S010876811003661X","","","0.71073","MoKα","","0.0279","0.0268","","","0.073","0.0733","","","","","","1.11","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104847","19.892","0.007","9.966","0.002","10.068","0.002","90","","107.06","0.04","90","","1908.1","1","88","2","88","2","","","","","","","","4","C 1 c 1","C -2yc","9","Dibenzylammonium 2-azidebenzoate","Dibenzylammonium 2-azidebenzoate","","- C21 H20 N4 O2 -","- C21.077 H20.044 N4.011 O2.022 -","- C84.308 H80.176 N16.044 O8.088 -","4","1","OG5043","Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation","Acta Crystallographica Section B","2010","66","6","647","661","10.1107/S010876811003661X","","","0.71073","MoKα","","0.0491","0.046","","","0.1354","0.1387","","","","","","1.021","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104911","16.0474","0.0005","5.028","0.0002","10.3879","0.0003","90","","110.093","0.002","90","","787.15","0.05","100","2","100","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","barbituric acid urea addition compound","2,4,6(1H,3H,5H)-Pyrimidinetrione urea addition compound","","- C5 H8 N4 O4 -","- C5 H8 N4 O4 -","- C20 H32 N16 O16 -","4","1","GW5010","Gryl, Marlena; Krawczuk-Pantula, Anna; Stadnicka, Katarzyna","Charge-density analysis in polymorphs of urea‒barbituric acid co-crystals","Acta Crystallographica Section B","2011","67","2","144","154","10.1107/S0108768111002412","","","0.71073","MoKα","","0.056","0.038","","","","0.027","","","","","","1.036","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105072","7.3539","0.0003","8.4985","0.0003","12.9706","0.0006","90","","95.481","0.003","90","","806.92","0.06","120","0.2","120","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C5 H6 Cl Cr N O3 -","- C20 H24 Cl4 Cr4 N4 O12 -","4","1","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.0282","0.0257","","","0.0612","0.0635","","","","","","1.047","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105087","15.2181","0.0003","22.008","0.0003","16.0005","0.0003","90","","118.393","0.002","90","","4714.25","0.17","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H42 Br5 Fe3 N6 Ni O4 -","- C44 H42 Br5 Fe3 N6 Ni O4 -","- C176 H168 Br20 Fe12 N24 Ni4 O16 -","4","1","PS5014","Guzei, Ilia; Herbst-Irmer, Regine; Munyaneza, Apollinaire; Darkwa, James","Detailed example of the identification and crystallographic analysis of a pseudo-merohedrally twinned crystal","Acta Crystallographica Section B","2012","68","2","150","157","10.1107/S0108768112002728","","","1.54178","CuKα","","0.0328","0.0319","","","0.0778","0.0783","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2105412","8.147","","20.08499","","10.513","","90","","109.32","","90","","1623.39","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","K (B (S O3 Cl)4)","","- B Cl4 K O12 S4 -","- B Cl4 K O12 S4 -","- B4 Cl16 K4 O48 S16 -","4","1","","Schomaker, V.; Marsh, R.E.","Potassium tetrachlorosulfatoborate: change in space group","Acta Crystallographica B (24,1968-38,1982)","1980","36","","219","220","10.1107/S0567740880002932","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105767","17.8567","0.0017","21.007","0.002","16.044","0.003","90","","117.802","0.001","90","","5323.6","1.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H42 Ag7 F15 O15 S5 -","- C32 H42 Ag7 F15 O15 S5 -","- C128 H168 Ag28 F60 O60 S20 -","4","1","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0883","0.0658","","","0.1547","0.1653","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2106352","12.965","","13.765","","6.522","","90","","115.09","","90","","1054.11","","","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","K Na (Pt (C N)4) (H2 O)3","","- C4 H6 K N4 Na O3 Pt -","- C4 H6 K N4 Na O3 Pt -","- C16 H24 K4 N16 Na4 O12 Pt4 -","4","1","","Johnson, P.L.; Musselman, R.L.; Williams, J.M.","Structural studies of precursor and partially oxidized conducting complexes. X. A neutron diffraction study of potassium sodium tetracyanoplatinate(II) trihydrate, K Na (Pt (C N)4) (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3155","3159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106425","13.349","","12.52","","6.779","","90","","66.18","","90","","1036.46","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tl2 (Fe (C N)5 (N O))","","- C5 Fe N6 O Tl2 -","- C5 Fe N6 O Tl2 -","- C20 Fe4 N24 O4 Tl8 -","4","1","","Rigotti, G.; Punte, G.; Rivero, B.E.","Structure of Thallium Nitroprusside","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1475","1477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106489","13.462","","23.381","","8.94","","90","","100.34","","90","","2768.21","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Ni80.28 V96 Si51.72","","- Ni80.28 Si51.72 V96 -","- Ni80.28 Si51.72 V96 -","- Ni80.28 Si51.72 V96 -","1","0.25","","Brink-Shoemaker, C.; Shoemaker, D.P.","The structure of the I phase, V41 Ni36 Si23, a pseudo superstructure","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","150524","2020-10-21","18:00:00",""
"2106502","10.604","","8.524","","12.052","","90","","102.2","","90","","1064.76","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Te (S2 O7)2","","- O14 S4 Te -","- O14 S4 Te -","- O56 S16 Te4 -","4","1","","Einstein, F.W.B.; Wilis, A.C.","Structure of Tellurium(IV) Pyrosulphate","Acta Crystallographica B (24,1968-38,1982)","1981","37","","218","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106610","11.13","","9.506","","7.598","","90","","97.59","","90","","796.839","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Sc (H Se O3)3","","- H3 O9 Sc Se3 -","- O9 Sc Se3 -","- O36 Sc4 Se12 -","4","1","","Valkonen, J.; Leskelae, M.","Scandium hydrogenselenite","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1323","1326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106615","5.459","","10.306","","15.349","","90","","94.73","","90","","860.601","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(Na2 (S O4)) (Te (O H)6)","","- H6 Na2 O10 S Te -","- H6 Na2 O10 S Te -","- H24 Na8 O40 S4 Te4 -","4","1","","Zilber, R.; Tordjman, I.; Guitel, J.C.","Structure of sodium sulfate tellurate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2741","2743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106684","37.754","","5.4109","","41.07","","90","","103.58","","90","","8155.35","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Bi2.09 Sr1.9 Ca Cu2 O8.22","","- Bi2.09 Ca Cu2 O8.22 Sr1.9 -","- Bi2.08556 Ca1.00111 Cu2 O8.22222 Sr1.90222 -","- Bi75.08 Ca36.04 Cu72 O296 Sr68.48 -","36","9","","Gladyshevskii, R.E.; Fluekiger, R.","Modulated structure of Bi2 Sr2 ca Cu2 O8+d, a high-Tc superconductor with monoclinc symmetry","Acta Crystallographica B (39,1983-)","1996","52","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106690","11.793","","6.548","","12.68","","90","","115.52","","90","","883.625","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Co Mo2 S4 -","- Co Mo2 S4 -","- Co8 Mo16 S32 -","8","2","","Guillevic, J.; Grandjean, D.; le Marouille, J.Y.","Etude structurale de combinaisons sulfurees et seleniees du molybdene. IV. Structures cristallines de Co M O S4 et de Fe M O S4.","Acta Crystallographica B (24,1968-38,1982)","1974","30","","111","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106691","11.781","","6.539","","13.008","","90","","114.37","","90","","912.798","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Fe Mo2 S4 -","- Fe Mo2 S4 -","- Fe8 Mo16 S32 -","8","2","","Guillevic, J.; le Marouille, J.Y.; Grandjean, D.","Etude structurale de combinaisons sulfurees et seleniees du molybdene. IV. Structures cristallines de Co M O S4 et de Fe M O S4","Acta Crystallographica B (24,1968-38,1982)","1974","30","","111","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106978","5.116","","10.737","","9.707","","90","","92.2","","90","","532.817","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","((H2 N)2 C N3) Cl","","- C H4 Cl N5 -","- C H4 Cl N5 -","- C4 H16 Cl4 N20 -","4","1","","Henke, H.; Baernighausen, H.","Die Kristallstruktur von Azidoformamidium-chlorid, H2 N)2 C N3) Cl","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1100","1107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107105","10.095","","9.436","","12.423","","90","","98.73","","90","","1169.66","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(Co H P2 O7 (N H3)5) (H2 O)","","- Co H18 N5 O8 P2 -","- Co H15 N5 O8 P2 -","- Co4 H60 N20 O32 P8 -","4","1","","Merritt, E.A.; Sundaralingam, M.","Structures of Unidentate (Co H P2 O7 (N H3)5) (H2 O) (Pentaamminepyrophosphatocobalt(III) Monohydrate) and Bidentate (Co H P2 O7 (N H3 4) (H2 O)2 (Tetraamminepyrophosphatocobalt(III)Dihydrate)","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2576","2584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107127","20.168","","9.847","","19.719","","90","","110.71","","90","","3663.03","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Al (U O2)2 (P O4)2 (O H) (H2 O)8","","- Al H17 O21 P2 U2 -","- Al O21 P2 U2 -","- Al8 O168 P16 U16 -","8","2","","Piret, P.; Declercq, J.P.; Wauters-Stoop, D.","Structure of threadgoldite","Acta Crystallographica B (24,1968-38,1982)","1979","35","","3017","3020","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107138","12.477","","7.259","","14.382","","90","","93.99","","90","","1299.43","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cr (O H) S O4 (H2 O)","","- Cr H3 O6 S -","- Cr O6 S -","- Cr12 O72 S12 -","12","3","","Riou, A.; Bonnin, A.","Structure de l'Hydroxysulfate de Chrome monohydrate","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1031","1035","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107232","16.216","","6.317","","9.597","","90","","92.38","","90","","982.235","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cu5 Si2 S7","","- Cu5 S7 Si2 -","- Cu5 S7 Si2 -","- Cu20 S28 Si8 -","4","1","","Dogguy, M.; Rivet, J.; Jaulmes, S.; Laruelle, P.","Structure du sulfure de cuivre et de silicium Cu5 Si2 S7","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2014","2016","","","","","","","","","","","","","","","","","","","","","","has coordinates","168858","2020-10-21","18:00:00",""
"2107373","5.17","","8.97","","20.19","","90","","92.8","","90","","935.191","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Al2 Si2 O5 (O H)4 (H C O N H2)","","- C H7 Al2 N O10 Si2 -","- C Al2 N O10 Si2 -","- C4 Al8 N4 O40 Si8 -","4","1","","Adams, J.M.; Jefferson, D.A.","The Crystal Structure of a Dickite: Formamide Intercalate Al2 Si2 O5 (O H)4 (H C O N H2)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1180","1183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107978","11.6341","0.0017","17.8996","0.0016","20.096","0.003","90","","101.098","0.012","90","","4106.6","0.9","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0797","0.0501","","","0.0966","0.1045","","","","","","0.879","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107979","11.6463","0.0011","17.9257","0.0012","20.11","0.003","90","","101.06","0.009","90","","4120.3","0.8","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0493","0.0378","","","0.0787","0.0814","","","","","","0.983","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107980","11.6801","0.0009","17.9212","0.001","20.1555","0.0015","90","","100.954","0.006","90","","4142.1","0.5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0345","0.03","","","0.0688","0.0705","","","","","","1.009","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107981","11.6874","0.0011","17.9345","0.0012","20.1975","0.0018","90","","100.976","0.007","90","","4156.1","0.6","165","2","165","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0424","0.0351","","","0.0754","0.0786","","","","","","0.977","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107982","11.703","0.0012","17.9455","0.0013","20.2104","0.0019","90","","101.001","0.008","90","","4166.5","0.7","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0446","0.0363","","","0.0763","0.0794","","","","","","0.978","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107983","11.7471","0.0014","17.9659","0.0015","20.25","0.002","90","","100.904","0.009","90","","4196.5","0.7","210","2","210","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0583","0.0442","","","0.0913","0.0971","","","","","","0.966","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107984","11.801","0.002","18.019","0.002","20.201","0.004","90","","100.958","0.015","90","","4217.3","1.2","240","2","240","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0727","0.0593","","","0.159","0.1808","","","","","","1.04","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2108098","27.5303","0.0018","19.6477","0.0013","13.7534","0.0009","90","","115.261","0.002","90","","6727.9","0.8","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[Ni(pydcH)2](H2O)3","","- C56 H44 N8 Ni4 O44 -","- C56 H44 N8 Ni4 O44 -","- C224 H176 N32 Ni16 O176 -","4","1","","Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.","An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O","Acta Crystallographica Section B","2017","73","3","413","418","10.1107/S2052520617004334","","","0.71073","MoKα","","0.047","0.0409","","","0.1036","0.1134","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","199054","2020-10-21","18:00:00",""
"2108431","13.33","0.02","12.69","0.009","7.87","0.02","90","","123.8","0.2","90","","1106","4","260","0.12","260","0.12","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","1","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0362","0.0362","","","0.1205","0.1205","","","","2.26","2.26","2.26","","","","has coordinates,has Fobs","216066","2020-10-21","18:00:00",""
"2108432","13.3","0.02","12.66","0.018","7.89","0.02","90","","123.8","0.2","90","","1104","4","244.97","0.13","244.97","0.13","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","1","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0521","0.0521","","","0.0672","0.0672","","","","1.9","1.9","1.9","","","","has coordinates,has Fobs","216067","2020-10-21","18:00:00",""
"2108771","6.7703","0.0004","11.8624","0.0005","6.7705","0.0004","90","","108.512","0.006","90","","515.62","0.05","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cu2 Ge Se3 -","- Cu2 Ge Se3 -","- Cu8 Ge4 Se12 -","4","1","","Dugarte-Dugarte, Analio; Ramírez Pineda, Nahum; Nieves, Luis; Henao, José Antonio; Díaz de Delgado, Graciela; Delgado, José Miguel","The crystal structure of Cu~2~GeSe~3~ and the structure-types of the I~2~-IV-VI~3~ family of semiconducting compounds","Acta Crystallographica Section B","2021","77","1","158","167","10.1107/S2052520620016571","","x-ray","0.71075","MoKα","","0.0311","0.027","","","0.0741","0.077","","","","","","1.163","","","","has coordinates,has Fobs","261796","2021-02-05","14:52:10",""
"2108890","14.333","0.0004","17.1049","0.0004","16.3502","0.0005","90","","101.859","0.002","90","","3922.93","0.19","173","2","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H31 Br2 Cl3 Cu2 N6 O12 -","- C30 H31 Br2 Cl3 Cu2 N6 O12 -","- C120 H124 Br8 Cl12 Cu8 N24 O48 -","4","1","","Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui","Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621008441","","","0.71073","MoKα","","0.0299","0.0258","","","0.0666","0.0678","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","269252","2021-09-23","01:37:05",""
"2200035","15.787","0.003","14.359","0.003","9.163","0.0015","90","","111.59","0.02","90","","1931.4","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) dichloromethane solvate","","- C21 H16 Cl2 Cu N2 O2 -","- C21 H16 Cl2 Cu N2 O2 -","- C84 H64 Cl8 Cu4 N8 O8 -","4","1","CF6024","Baggio, Ricardo; Garland, Maria Teresa; Atria, Ana María; Hidalgo, Oscar; Solezi, Santiago","{2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) dichloromethane solvate","Acta Crystallographica Section E","2001","57","1","m19","m20","10.1107/S1600536800019668","","","0.71073","MoKα","","0.074","0.048","","","","0.108","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200200","3.901","0.001","17.398","0.002","15.749","0.002","90","","94.51","0.01","90","","1065.6","0.3","173","1","173","1","","","","","","","","3","C 1 c 1","C -2yc","9","","2,3,4'-Trichlorobiphenyl","","- C12 H7 Cl3 -","- C12 H7 Cl3 -","- C48 H28 Cl12 -","4","1","OB6018","Lehmler, Hans-Joachim; Parkin, Sean; Robertson, Larry W.","2,3,4'-Trichlorobiphenyl","Acta Crystallographica Section E","2001","57","2","o111","o112","10.1107/S1600536800021127","","","0.71073","MoKα","","0.0287","0.0261","","","","0.0539","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200538","14.325","0.004","8.536","0.008","11.513","0.004","90","","91.56","0.02","90","","1407.3","1.5","295","","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-acetamido-1,1,3,3-tetramethylisoindolin-2-yloxyl","","- C14 H19 N2 O2 -","- C14 H19 N2 O2 -","- C56 H76 N8 O8 -","4","1","TK6031","Graham Smith; Steven E. Bottle; Damien A. Reid; Raymond C. Bott","An isoindoline EPR label: 5-acetamido-1,1,3,3-tetramethylisoindolin-2-yloxyl","Acta Crystallographica Section E","2001","57","8","o786","o787","10.1107/S1600536801010716","","","0.71069","MoKα","","0.113","0.039","","","","0.125","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200712","14.914","0.005","13.56","0.006","8.994","0.004","90","","122.75","0.02","90","","1529.8","1.1","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-dichlorobis(1,4-butanediamine)cobalt(III) chloride monohydrate","","- C8 H26 Cl3 Co N4 O -","- C8 H26 Cl3 Co N4 O -","- C32 H104 Cl12 Co4 N16 O4 -","4","1","OB6072","Fujimoto, Kazuya; Nagata, Kiyonori; Suzuki, Honoh; Kanamori, Kan","<i>trans</i>-Bis(1,4-butanediamine)dichlorocobalt(III) chloride monohydrate","Acta Crystallographica Section E","2001","57","10","m467","m469","10.1107/S1600536801015227","","","0.71073","MoKα","","0.0372","0.0331","","","","0.0824","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200951","5.4507","0.0002","18.5945","0.0009","11.4256","0.0006","90","","100.941","0.003","90","","1136.97","0.09","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","Dibromothymoquinone","2,5-Dibromo-3-methyl-6-isopropyl-1,4-benzoquinone","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C40 H40 Br8 O8 -","4","1","OB6105","Lothar Esser; Zbyszek Otwinowski; Hoeon Kim","2,5-Dibromo-6-isopropyl-3-methyl-<i>p</i>-benzoquinone","Acta Crystallographica Section E","2002","58","2","o170","o171","10.1107/S1600536801021353","","","0.71073","MoKα","","0.0261","0.0244","","","0.0633","0.0643","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201031","15.41","0.002","9.402","0.0012","11.0939","0.0015","90","","124.235","0.01","90","","1328.8","0.3","293","2","293","","","","","","","","","3","C 1 c 1","C -2yc","9","9,10-Dihydroanthracene-9,10-α,β-succinic acid anhydride","5,6:7,8-dibenzobicyclo[2.2.2]octa-5,7-diene-2,3-dicarboxylic acid anhydride","","- C18 H12 O3 -","- C18 H12 O3 -","- C72 H48 O12 -","4","1","BT6131","Díaz de Delgado, Graciela; Ramírez V., Belkis; Velásquez, William; Rodríguez, Pedro","A new polymorph of 9,10-dihydroanthracene-9,10-α,β-succinic acid anhydride","Acta Crystallographica Section E","2002","58","5","o501","o503","10.1107/S1600536802005767","","","0.71073","MoKα","","0.0434","0.0355","","","0.0808","0.0837","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201121","11.269","0.002","11.376","0.001","25.738","0.003","90","0.02","94.47","0.02","90","0.02","3289.5","0.8","293","2","","","","","","","","","","6","C 1 c 1","C -2yc","9","","N',N'-Dibenzyl-N-(2-chloroethyl)sulfamide","","- C16 H19 Cl N2 O2 S -","- C16 H19 Cl N2 O2 S -","- C128 H152 Cl8 N16 O16 S8 -","8","2","DN6023","Dokhane, Sohere; Benali-Cherif, Nourredine; Abdaoui, Mohamed","<i>N</i>',<i>N</i>'-Dibenzyl-<i>N</i>-(2-chloroéthyl)sulfamide","Acta Crystallographica Section E","2002","58","5","o570","o572","10.1107/S1600536802006463","","","0.71073","MoKα","","0.1038","0.0456","","","0.084","0.117","","","","","","1.11","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2201169","10.6018","0.0011","15.3204","0.0015","18.269","0.0017","90","","98.727","0.012","90","","2933","0.5","295","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H30 I2 N4 Ni O4 Zn -","- C23 H30 I2 N4 Ni O4 Zn -","- C92 H120 I8 N16 Ni4 O16 Zn4 -","4","1","OB6128","Leyla Tatar","{[μ-Bis(salicylidene)-1,3-propanediaminato]bis(<i>N,N</i>-dimethylformamide)nickel(II)}diiodozinc(II)","Acta Crystallographica Section E","2002","58","5","m231","m233","10.1107/S1600536802007493","","","0.71073","MoKα","","0.0407","0.032","","","0.0814","0.0855","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201421","21.815","0.003","10.464","0.002","11.222","0.002","90","","108.55","0.01","90","","2428.6","0.7","293","3","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Triethylammonium 8-Acetyl-3-methyl-9-phenyl-7-oxo-2-azaspiro [4.5]dec-2-en-4-nitronate","","- C23 H33 N3 O5 -","- C23 H33 N3 O5 -","- C92 H132 N12 O20 -","4","1","CM6016","Mauro F.A. Adamo; Stefano Chimichi; Donato Donati; Piero Sarti-Fantoni","Triethylammonium 8-acetyl-3-methyl-9-phenyl-7-oxo-2-azaspiro[4.5]dec-2-ene-4-nitronate","Acta Crystallographica Section E","2002","58","10","o1125","o1127","10.1107/S1600536802016598","","","0.71073","MoKα","","0.0607","0.0432","","","0.1129","0.1248","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201549","9.7764","0.001","28.491","0.003","11.279","0.0012","90","","102.437","0.002","90","","3067.9","0.6","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","Cu([9]ane(Nvbz)~3~)NO~3~Cl","Chloro(nitrato)[1,4,7-tris(4-vinyl)benzyl-1,4,7-triazacyclononane]copper(II)","","- C33 H39 Cl Cu N4 O3 -","- C33 H39 Cl Cu N4 O3 -","- C132 H156 Cl4 Cu4 N16 O12 -","4","1","OB6143","Deschamps, Jeffrey R.; Hartshorn, Christopher M.; Singh, Alok; Chang, Eddie L.","Chloro(nitrato)[1,4,7-tris(4-vinyl)benzyl-1,4,7-triazacyclononane]copper(II)","Acta Crystallographica Section E","2002","58","8","m396","m398","10.1107/S1600536802011613","","","0.71073","MoKα","","0.0243","0.0228","","","0.0611","0.064","","","","","","0.879","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201722","30.102","0.006","5.712","0.001","7.466","0.002","90","","93.97","0.03","90","","1280.6","0.5","152","2","152","2","","","","","","","","3","C 1 c 1","C -2yc","9","","1,5-diphenylpent-4-ene-1,3-dione","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","YA6133","Arrieta, Antonio F.; Arvid Mostad","1,5-Diphenylpent-4-ene-1,3-dione","Acta Crystallographica Section E","2002","58","11","o1301","o1303","10.1107/S160053680201930X","","","0.71073","MoKα","","0.053","0.044","","","0.123","0.141","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201747","5.6672","0.0003","18.0609","0.0011","8.1949","0.0005","90","","99.135","0.003","90","","828.15","0.08","120","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","1","AC6036","Resende, Jackson Antônio Lamounier Camargos; Santos Jr, Sauli; Ellena, Javier; Guilardi, Silvana","2-Cyano-<i>N</i>-(2-hydroxyphenyl)acetamide","Acta Crystallographica Section E","2003","59","5","o723","o725","10.1107/S1600536803008316","","","0.71073","MoKα","","","0.0511","","","","0.1311","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201841","32.074","0.006","5.931","0.001","8.127","0.002","90","","101.18","0.03","90","","1516.7","0.6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","2-naphthol","","","- C10 H8 O -","- C10 H8 O -","- C80 H64 O8 -","8","2","CF6223","Marciniak, Bernard; Rozycka-Sokolowska, Ewa; Pavlyuk, Volodymyr","2-Naphthalenol","Acta Crystallographica Section E","2003","59","1","o52","o53","10.1107/S1600536802022808","","","0.71069","MoKα","","0.0555","0.0449","","","0.0904","0.0934","","","","","","1.303","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2201979","8.7002","0.0009","22.6624","0.0015","9.9711","0.0008","90","","106.01","0.007","90","","1889.7","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Piperidine-κN)[N-(salicylidene)phenylalaninato-κ^3^O,N,O']copper(II)","","- C21 H24 Cu N2 O3 -","- C21 H24 Cu N2 O3 -","- C84 H96 Cu4 N8 O12 -","4","1","FL6014","Butcher, Ray J.; Mockler, Garry M.; McKern, Owen","(Piperidine-κ<i>N</i>)[<i>N</i>-(salicylidene)phenylalaninato-κ^3^<i>O,N,O</i>']copper(II)","Acta Crystallographica Section E","2003","59","2","m61","m63","10.1107/S1600536803000710","","","0.71073","MoKα","","0.0532","0.0355","","","0.0744","0.0819","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202077","31.7081","0.0008","7.8174","0.0002","15.4208","0.0005","90","","104.344","0.001","90","","3703.27","0.18","120","0.2","120","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","1-chloroacetyl-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine","2-chloro-1-(2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)-1-ethanone","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C184 H152 Cl8 N16 O8 -","8","2","NA6218","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Díaz, Emilso; Escobar, Henry","1-Chloroacetyl-2,4-diphenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section E","2003","59","5","o603","o605","10.1107/S1600536803007220","","","0.71073","MoKα","","0.108","0.0685","","","0.1667","0.2013","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202148","11.136","0.0004","11.1049","0.0003","22.8774","0.0009","90","","91.9072","0.0012","90","","2827.55","0.17","150","1","150","1","","","","","","","","3","C 1 c 1","C -2yc","9","","2-Hydroxycyclohexene-1-carboxylic acid","","- C7 H10 O3 -","- C7 H10 O3 -","- C112 H160 O48 -","16","4","OM6131","Kresge, A. Jerry; Lough, Alan J.; Zhu, Yu","2-Hydroxycyclohexene-1-carboxylic acid: the enol isomer of 2-oxocyclohexane-1-carboxylic acid","Acta Crystallographica Section E","2003","59","3","o344","o346","10.1107/S1600536803003568","","","0.71073","MoKα","","0.0655","0.046","","","0.1078","0.1184","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202155","14.26","0.005","9.66","0.002","12.789","0.005","90","","120.878","0.012","90","","1512","0.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","catena-poly[[[(1,10-phenanthroline)copper(II)]-μ-dicyanamido] perchlorate]","","- C14 H8 Cl Cu N5 O4 -","- C14 H8 Cl Cu N5 O4 -","- C56 H32 Cl4 Cu4 N20 O16 -","4","1","OM6139","A.-Qing Wu; Fa-Kun Zheng; Li-Zhen Cai; Guo-Cong Guo; Jiang-Gao Mao; Jin-Shun Huang","One-dimensional chain structure of <i>catena</i>-poly[[[(1,10-phenanthroline)copper(II)]-μ-dicyanamido] perchlorate]","Acta Crystallographica Section E","2003","59","5","m257","m259","10.1107/S1600536803007438","","","0.71073","MoKα","","0.0556","0.045","","","0.1092","0.1147","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202521","18.482","0.007","17.045","0.007","8.635","0.003","90","","117.094","0.005","90","","2421.7","1.6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","{4-[(1-Naphthyl)vinyl]phenyl}di-p-tolylamine","","- C32 H27 N -","- C32 H27 N -","- C128 H108 N4 -","4","1","CI6291","Cao, Xiao-Dan; Liu, Dong-Zhi; Zhou,Xue-Qin; Sun, Shao-Feng","{4-[(1-Naphthyl)vinyl]phenyl}di-<i>p</i>-tolylamine","Acta Crystallographica Section E","2003","59","12","o1923","o1924","10.1107/S1600536803025285","","","0.71073","MoKα","","0.0896","0.0563","","","0.135","0.1544","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202804","13.491","0.004","13.375","0.004","9.903","0.003","90","","93.51","0.02","90","","1783.6","0.9","292","2","292","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-amino-4-(2-chlorophenyl)-3-ethoxycarbonyl-4H-benzo[f]chromene","","- C22 H18 Cl N O3 -","- C22 H18 Cl N O3 -","- C88 H72 Cl4 N4 O12 -","4","1","OB6285","Qiya Zhuang; Daqing Shi; Xiangshan Wang","2-Amino-4-(2-chlorophenyl)-3-ethoxycarbonyl-4<i>H</i>-benzo[<i>f</i>]chromene","Acta Crystallographica Section E","2003","59","10","o1474","o1475","10.1107/S1600536803019779","","","0.71073","MoKα","","0.0354","0.0327","","","0.0848","0.0858","","","","","","1.108","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203031","15.98","0.002","5.9373","0.0006","11.795","0.001","90","","113.842","0.002","90","","1023.59","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","cis-Dichlorobis(N,N,N',N'-tetramethyl-1,2-diaminoethane)palladium(II)","","- C6 H16 Cl2 N2 Pd -","- C6 H16 Cl2 N2 Pd -","- C24 H64 Cl8 N8 Pd4 -","4","1","AC6071","Boyle, Robert C.; Mague, Joel T.; Fink, Mark J.","<i>cis</i>-Dichloro(<i>N,N,N</i>'<i>,N</i>'-tetramethyl-1,2-diaminoethane)palladium(II)","Acta Crystallographica Section E","2004","60","1","m40","m41","10.1107/S1600536803027739","","","0.71073","MoKα","","0.0271","0.0258","","","0.0601","0.0607","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203260","9.3168","0.0004","9.8985","0.0006","34.083","0.0017","90","","94.236","0.006","90","","3134.6","0.3","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","tricaesium dihafnium pentaphosphorus octadecasulfide","","- Cs3 Hf2 P5 S18 -","- Cs3 Hf2 P5 S18 -","- Cs12 Hf8 P20 S72 -","4","1","BR6136","Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang","Cs~3~Hf~2~(P~2~S~7~)~2~(PS~4~)","Acta Crystallographica Section E","2004","60","3","i42","i44","10.1107/S1600536804002880","","","0.71073","MoKα","","0.0417","0.0407","","","0.1033","0.1037","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203364","7.69","0.001","17.93","0.001","7.095","0.001","90","","95.7","0.01","90","","973.4","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Acetylanilinium chloride monohydrate","","- C8 H12 Cl N O2 -","- C8 H12 Cl N O2 -","- C32 H48 Cl4 N4 O8 -","4","1","YA6193","Ersanlı, Cem Cüneyt; Odabaşoǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Erdönmez, Ahmet","4-Acetylanilinium chloride monohydrate","Acta Crystallographica Section E","2004","60","3","o397","o398","10.1107/S1600536804002569","","","0.71073","MoKα","","0.04","0.032","","","0.068","0.07","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203403","20.2331","0.0014","17.2635","0.001","18.3682","0.0011","90","","100.117","0.005","90","","6316.1","0.7","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hydridotetrakis(triphenylphosphite)cobalt(I)","","- C72 H61 Co O12 P4 -","- C72 H61 Co O12 P4 -","- C288 H244 Co4 O48 P16 -","4","1","CI6351","Jonathan D Crane; Nigel Young","Hydridotetrakis(triphenylphosphito)cobalt(I)","Acta Crystallographica Section E","2004","60","4","m487","m488","10.1107/S1600536804007093","","","0.71073","MoKα","","0.0598","0.0361","","","0.0648","0.0688","","","","","","0.801","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203990","20.4427","0.0002","12.7593","0.0002","21.0262","0.0002","90","","112.619","0.0007","90","","5062.53","0.11","200","","200","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C51.73 H52.92 Cl F6 O2.73 P5 Ru -","- C51.73 H44 Cl F6 O2.73 P5 Ru -","- C206.92 H176 Cl4 F24 O10.92 P20 Ru4 -","4","1","CF6366","Anthony C. Willis; Gulliver T. Dalton; Joseph P. Morrall; Marie P. Cifuentes; Mark G. Humphrey","<i>cis</i>,<i>cis</i>,<i>cis</i>-Aquabis[bis(diphenylphosphino)methane-κ^2^<i>P</i>,<i>P</i>']chlororuthenium(II) hexafluorophosphate methanol 1.73-solvate","Acta Crystallographica Section E","2004","60","8","m1122","m1123","10.1107/S1600536804016253","","","0.71073","MoKα","","","0.0323","","","","0.0356","","","","","","1.0508","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204032","16.4537","0.001","8.1471","0.0011","14.5814","0.0012","90","","127.535","0.012","90","","1550","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Chloro-3,4-dimethoxybenzaldehyde (4-nitrophenyl)hydrazone","","- C15 H14 Cl N3 O4 -","- C15 H14 Cl N3 O4 -","- C60 H56 Cl4 N12 O16 -","4","1","HB6065","Shang Shan; Xiao-Juan Wang; Wei-Xiao Hu; Duan-Jun Xu","2-Chloro-3,4-dimethoxybenzaldehyde (4-nitrophenyl)hydrazone","Acta Crystallographica, Section E","2004","60","8","o1344","o1346","10.1107/S1600536804016642","","","0.71073","MoKα","","0.03","0.028","","","0.077","0.078","","","","","","1.033","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204161","10.454","0.006","16.192","0.006","7.0777","0.0014","90","","94.47","0.05","90","","1194.4","0.9","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[[tetraaquazinc(II)]-μ-5-sulfosalicylato-κ^2^O:O']","","- C7 H12 O10 S Zn -","- C7 H12 O10 S Zn -","- C28 H48 O40 S4 Zn4 -","4","1","CV6359","Hecht, Elmar","<i>catena</i>-Poly[[tetraaquazinc(II)]-μ-5-sulfosalicylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","9","m1286","m1288","10.1107/S1600536804020070","","","0.71073","MoKα","","0.0301","0.03","","","0.0857","0.0858","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204269","10.789","0.003","15.42","0.004","11.742","0.003","90","","90.555","0.004","90","","1953.4","0.9","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(N,N-dimethylformamide)-1,2,4,5-benzenedicarboxylatodicobalt(II)","","- C16 H16 Co2 N2 O10 -","- C16 H16 Co2 N2 O10 -","- C64 H64 Co8 N8 O40 -","4","1","BT6512","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","Octahedral and tetrahedral coordination for cobalt(II) in polymeric (μ~8~-benzene-1,2,4,5-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylformamide)dicobalt","Acta Crystallographica Section E","2004","60","10","m1400","m1402","10.1107/S1600536804021944","","","0.71073","MoKα","","0.0719","0.0548","","","0.1223","0.1488","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204320","12.378","0.001","14.77","0.001","13.3291","0.0007","90","","99.073","0.004","90","","2406.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Acetato-κO)[butane-2,3-dione monooxime benzoylhydrazonato-κ^3^O,N^2^,O']bis(pyridine-κN)nickel(II)","","- C23 H25 N5 Ni O4 -","- C23 H25 N5 Ni O4 -","- C92 H100 N20 Ni4 O16 -","4","1","CV6375","Huo, Li-Hua; Lu, Zhen-Zhong; Gao, Shan; Zhao, Hui","(Acetato-κ<i>O</i>)[butane-2,3-dione monooxime benzoylhydrazonato-κ^3^<i>O</i>,<i>N</i>^2^,<i>O</i>']bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2004","60","10","m1450","m1452","10.1107/S1600536804022767","","","0.71073","MoKα","","0.049","0.038","","","0.083","0.087","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204451","13.0966","0.0012","8.6225","0.0008","15.7306","0.0014","90","","100.045","0.001","90","","1749.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3'-(2-Chlorophenyl)-1'-methyl-4'nitrospiro[indan-2, 2'-pyrrolidine]-1,3-dione","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","BT6551","S. Selvanayagam; D. Velmurugan; K. Ravikumar; S. Narasinga Rao; M. Poornachandran; R. Raghunathan","3'-(2-Chlorophenyl)-1'-methyl-4'nitrospiro[indan-2,2'-pyrrolidine]-1,3-dione","Acta Crystallographica Section E","2004","60","11","o2157","o2159","10.1107/S1600536804026686","","","0.71073","MoKα","","0.0427","0.0405","","","0.1006","0.1023","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205071","13.4146","0.0009","10.2135","0.0008","7.8627","0.0006","90","","95.295","0.005","90","","1072.67","0.14","150","1","150","1","","","","","","","","5","C 1 c 1","C -2yc","9","","Methylchlorosila[1]ferrocenophane","","- C11 H11 Cl Fe Si -","- C11 H11 Cl Fe Si -","- C44 H44 Cl4 Fe4 Si4 -","4","1","HB6140","Chan, Wing Yan; Lough, Alan J.; Manners, Ian","Methylchlorosila[1]ferrocenophane","Acta Crystallographica Section E","2005","61","2","m375","m376","10.1107/S1600536805001352","","","0.71073","MoKα","","0.0478","0.0389","","","0.0909","0.0976","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205086","22.759","0.004","5.5729","0.0009","8.3902","0.0014","90","","90.929","0.002","90","","1064","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(4-Hydroxyphenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","HG6135","Fa-Qian Liu; Wei-Hua Li; Hai-Bin Song; Lu-De Lu; Xu-Jie Yang; Xin Wang","1-(4-Hydroxyphenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2005","61","2","o400","o401","10.1107/S1600536805001169","","","0.71073","MoKα","","0.0415","0.0296","","","0.071","0.0761","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205290","12.6986","0.0008","12.5724","0.0006","18.9151","0.001","90","","95.635","0.004","90","","3005.2","0.3","150","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Chloro-3-(2,3,5-trimethylphenoxy)phthalonitrile","","- C17 H13 Cl N2 O -","- C17 H13 Cl N2 O -","- C136 H104 Cl8 N16 O8 -","8","2","KP6035","Yazıcı, Serap; Akdemir, Nesuhi; Ağar, Erbil; Kantar, Cihan; Şenel, İsmet","4-Chloro-3-(2,3,5-trimethylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","3","o782","o783","10.1107/S1600536805003193","","","0.71073","MoKα","","0.053","0.0416","","","0.1128","0.1163","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205326","32.394","0.004","21.167","0.003","13.013","0.0015","90","","93.467","0.002","90","","8906","2","288","2","288","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris{trans-4-[p-(N,N-diethylamino)styryl]-N-methylpyridinium} dodecatungstophosphate","","- C54 H69 N6 O40 P W12 -","- C54 H69 N6 O40 P W12 -","- C216 H276 N24 O160 P4 W48 -","4","1","OB6472","Xuejie Tan; Sixiu Sun; Shu-Lian Liu; Jian-Ping Ma; Dian-Xiang Xing","Tris{<i>trans</i>-4-[<i>p</i>-(<i>N</i>,<i>N</i>-diethylamino)styryl]-<i>N</i>-methylpyridinium} dodecatungstophosphate","Acta Crystallographica Section E","2005","61","3","m437","m440","10.1107/S1600536805002928","","","0.71073","MoKα","","0.102","0.0779","","","0.194","0.2137","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205351","15.277","0.003","11.81","0.002","8.636","0.0017","90","","121.79","0.03","90","","1324.4","0.6","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Benzyl-4-phenyl-1H-1,2,4-triazole-5(4H)-thione","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C60 H52 N12 S4 -","4","1","RZ6047","Fangfang Jian; Zhengshuai Bai; Hailian Xiao; Kai Li","3-Benzyl-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","3","o557","o558","10.1107/S1600536805003223","","","0.71073","MoKα","","0.0425","0.0391","","","0.1057","0.1091","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205424","9.815","0.001","23.404","0.003","18.777","0.002","90","","92.002","0.002","90","","4310.6","0.8","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2,6-Diisopropylphenylamino)cyclohex-1-enyl phenyl ketone","","- C25 H31 N O -","- C25 H31 N O -","- C200 H248 N8 O8 -","8","2","BT6630","Gui, Guo-Qiu; Bao, Feng; Lü, Xing-Qiang; Wu, Qing; Ng, Seik Weng","2-(2,6-Diisopropylphenylamino)cyclohex-1-enyl phenyl ketone","Acta Crystallographica Section E","2005","61","4","o1070","o1071","10.1107/S1600536805008135","","","0.71073","MoKα","","0.051","0.043","","","0.122","0.13","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205491","26.88","0.004","8.009","0.0011","18.294","0.003","90","","123.836","0.008","90","","3271.3","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)copper(II)","","- C22 H40 Cu N2 S10 -","- C22 H40 Cu N2 S10 -","- C88 H160 Cu4 N8 S40 -","4","1","HB6163","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Zhang, Guang-Hui; Sun, Xiang-Bin; Ren, Quan","Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)cuprate(II)","Acta Crystallographica Section E","2005","61","4","m717","m719","10.1107/S1600536805008159","","","0.71073","MoKα","","0.1071","0.0506","","","0.096","0.1184","","","","","","0.953","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205588","7.487","0.003","23.287","0.009","5.675","0.002","90","","95.579","0.007","90","","984.7","0.6","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Diiodoazulene","1,3-Diiodoazulene","","- C10 H6 I2 -","- C10 H6 I2 -","- C40 H24 I8 -","4","1","SJ6052","Chen, Xue-Yi; Dias, Jerry R.; Powell, Doug R.; Van Horn, J. David; Sandreczki, Thomas C.","1,3-Diiodoazulene","Acta Crystallographica Section E","2005","61","4","o944","o946","10.1107/S1600536805006823","","","0.71073","MoKα","","0.0212","0.0211","","","0.055","0.055","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205753","7.4","0.002","16.462","0.005","10.999","0.003","90","","98.558","0.004","90","","1325","0.6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","3-aceto-4-(4-hydroxyphenethylamino)-3-ene-butenone","3-Acetoxy-4-(4-hydroxyphenethylamino)but-3-en-1-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","LH6395","Zhang, Yong-Bin; Guo, Wei; Hao, Jun-Sheng; Li, Dong-Hong; Huang, Shu-Ping; Xia, Chi-Zhong","3-Acetoxy-4-(4-hydroxyphenethylamino)but-3-en-1-one","Acta Crystallographica Section E","2005","61","5","o1318","o1320","10.1107/S1600536805010706","","","0.71073","MoKα","","0.0508","0.0494","","","0.1115","0.1123","","","","","","1.203","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206153","23.458","0.007","13.923","0.004","8.228","0.002","90","","101.163","0.005","90","","2636.5","1.3","292","2","292","2","","","","","","","","7","C 1 c 1","C -2yc","9","(MB)[PbI~3~].DMF","catena-Poly[[[3,7-bis(dimethylamino)phenazathionium] lead(II)-tri-μ-iodo] N,N'-dimethylformamide]","","- C19 H25 I3 N4 O Pb S -","- C19 H25 I3 N4 O Pb S -","- C76 H100 I12 N16 O4 Pb4 S4 -","4","1","CI6594","Ming-Tian Li; Qin-Ling Liao; Xu-Cheng Fu; Cheng-Gang Wang","<i>catena</i>-Poly[[[3,7-bis(dimethylamino)phenothiazonium] lead(II)-tri-μ-iodo] <i>N</i>,<i>N</i>'-dimethylformamide]","Acta Crystallographica Section E","2005","61","7","m1396","m1397","10.1107/S1600536805019331","","","0.71073","MoKα","","0.049","0.037","","","0.0682","0.0721","","","","","","0.926","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206191","18.8369","0.0005","13.4729","0.0003","8.9472","0.0002","90","","101.639","0.008","90","","2224","0.11","295","3","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexaaquanickel(II) bis(thiodiacetato-κ^3^O,S,O')nickel(II) tetrahydrate","","- C8 H28 Ni2 O18 S2 -","- C8 H28 Ni2 O18 S2 -","- C32 H112 Ni8 O72 S8 -","4","1","HB6214","Tian-Tian Pan; Jian-Rong Su; Duan-Jun Xu","Hexaaquanickelate(II) bis(thiodiacetato-κ^3^<i>O,S,O</i>')nickel(II) tetrahydrate","Acta Crystallographica Section E","2005","61","7","m1376","m1378","10.1107/S1600536805018982","","","0.71073","MoKα","","0.022","0.021","","","0.061","0.061","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206252","14.532","0.002","9.7074","0.0013","14.823","0.002","90","","96.167","0.002","90","","2078.9","0.5","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(2-Methylpropane-1,2-diamine-κ^2^N,N')[tris(2-aminoehtttyl)amine- κ^4^N,N',N'',N''')nickel(II) diperchlorate","","- C10 H30 Cl2 N6 Ni O8 -","- C10 H30 Cl2 N6 Ni O8 -","- C40 H120 Cl8 N24 Ni4 O32 -","4","1","OB6524","Yung-Chan Lin; Tian-Huey Lu; Chang-Yao Li; Fen-Ling Liao; Chung-Sun Chung","(2-Methylpropane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) diperchlorate","Acta Crystallographica Section E","2005","61","7","m1398","m1400","10.1107/S160053680501932X","","","0.71073","MoKα","","0.0483","0.0392","","","0.108","0.1158","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206279","11.795","0.002","16.976","0.002","8.7656","0.0014","90","","99.764","0.003","90","","1729.7","0.5","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenylpyrazolidin- 3-one","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","4","1","SG6011","Chun-Hua Diao; Zhi Fan; Ming Yu; Xin Chen; Zuo-Liang Jing; Qi-Liang Deng","4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenylpyrazolidin-3-one","Acta Crystallographica Section E","2005","61","7","o2322","o2323","10.1107/S1600536805019938","","","0.71073","MoKα","","0.0393","0.0306","","","0.08","0.0831","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206321","23.081","0.004","4.5554","0.0008","13.069","0.002","90","","108.741","0.002","90","","1301.3","0.4","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Chloro-4,6-di-morpholino-1,3,5-triazine","","- C11 H16 Cl N5 O2 -","- C11 H16 Cl N5 O2 -","- C44 H64 Cl4 N20 O8 -","4","1","WW6398","Zeng, Tao; Dong, Chuan-Ming; Shu, Xue-Gui; Li, Jiang-Sheng; Huang, Peng-Mian","2-Chloro-4,6-dimorpholino-1,3,5-triazine","Acta Crystallographica Section E","2005","61","7","o2211","o2212","10.1107/S1600536805019021","","","0.71073","MoKα","","0.0288","0.0262","","","0.0646","0.0664","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206355","24.139","0.002","8.3588","0.0006","11.8747","0.0012","90","","110.014","0.008","90","","2251.3","0.4","296","","296","","","","","","","","","6","C 1 c 1","C -2yc","9","","O,O-Bis(2-tert-butyl-4-methylphenyl) chlorothiophosphonate","","- C22 H30 Cl O2 P S -","- C22 H30 Cl O2 P S -","- C88 H120 Cl4 O8 P4 S4 -","4","1","BT6693","Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Albayrak, Çiǧdem","<i>O</i>,<i>O</i>-Bis(2-<i>tert</i>-butyl-4-methylphenyl) chlorothiophosphonate","Acta Crystallographica Section E","2005","61","8","o2525","o2527","10.1107/S1600536805021859","","","0.71073","MoKα","","0.0683","0.0354","","","0.0799","0.0904","","","","","","0.86","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206356","23.592","0.003","8.3111","0.0006","12.5067","0.0014","90","","105.74","0.009","90","","2360.3","0.4","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","O,O-Bis(2-tert-butyl-4-methoxyphenyl) chlorothiophosphonate","","- C22 H30 Cl O4 P S -","- C22 H30 Cl O4 P S -","- C88 H120 Cl4 O16 P4 S4 -","4","1","BT6694","Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Albayrak, Çiǧdem","<i>O</i>,<i>O</i>-Bis(2-<i>tert</i>-butyl-4-methoxyphenyl) chlorothiophosphonate","Acta Crystallographica Section E","2005","61","8","o2528","o2530","10.1107/S1600536805021860","","","0.71073","MoKα","","0.0303","0.0267","","","0.0716","0.0735","","","","","","1.115","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206403","36.589","0.005","5.3932","0.0007","7.9572","0.0011","90","","96.689","0.002","90","","1559.5","0.4","292","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-[4-(Phenylethynyl)phenyl]benzamide","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","CV6549","Yin, Guodong; Hu, Shengli; Li, Yitao; Wu, Anxin","<i>N</i>-[4-(Phenylethynyl)phenyl]benzamide","Acta Crystallographica Section E","2005","61","8","o2561","o2562","10.1107/S1600536805022105","","","0.71073","MoKα","","0.0604","0.0451","","","0.1086","0.1331","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206464","10.257","0.004","23.04","0.008","7.424","0.003","90","","127.771","0.004","90","","1386.8","0.9","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-Ethyl-5-(pyrrol-1-yl)-1,8-naphthalimide","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","IS6096","Yu-Quan Shi; Dan Xu; Ming-Jian Cai; Bin Chen","<i>N</i>-Ethyl-5-(pyrrol-1-yl)-1,8-naphthalimide","Acta Crystallographica Section E","2005","61","8","o2436","o2437","10.1107/S1600536805021185","","","0.71073","MoKα","","0.0406","0.0328","","","0.0821","0.089","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206640","13.092","0.004","15.041","0.005","8.256","0.003","90","","98.649","0.007","90","","1607.3","0.9","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","2'-Hydroxy-4,4',5',6'-tetramethoxychalcone","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","BT6717","Wafo, Pascal; Hussain, Hidayat; Kouam, Simeon F.; Ngadjui, Bonaventure T.; Flörke, Ulrich; Krohn, Karsten","2'-Hydroxy-4,4',5',6'-tetramethoxychalcone","Acta Crystallographica Section E","2005","61","9","o3017","o3019","10.1107/S1600536805026292","","","0.71073","MoKα","","0.0859","0.0504","","","0.0814","0.0884","","","","","","0.908","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206644","10.4862","0.0003","15.1938","0.0002","17.4233","0.0003","90","","99.01","0.002","90","","2741.72","0.1","299","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","[μ~2~-bis(salicylidene)propane-1,3- diaminato]dichlorobis(N,N-dimethylformamide)nickel(II)}zinc(II)","","- C23 H30 Cl2 N4 Ni O4 Zn -","- C23 H30 Cl2.001 N4 Ni O4 Zn -","- C92 H120 Cl8.004 N16 Ni4 O16 Zn4 -","4","1","BV6019","Ercan, Filiz","A new Ni‒Zn heterodinuclear complex: [μ~2~-bis(salicylidene)propane-1,3-diaminato]dichlorobis(<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)zinc(II)","Acta Crystallographica Section E","2005","61","9","m1804","m1806","10.1107/S1600536805025821","","","0.71073","MoKα","","","0.0361","","","","0.0996","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206915","6.2777","0.0016","34.562","0.009","9.321","0.002","90","","90.443","0.004","90","","2022.3","0.9","294","2","294","2","","","","","","","","3","C 1 c 1","C -2yc","9","","1-Ferrocenyl-1-(1H-indenyl)cycloheptane","","- C26 H28 Fe -","- C26 H28 Fe -","- C104 H112 Fe4 -","4","1","CI6650","Lin, Jin; Xu, Shan-Sheng; Song, Hai-Bin","1-Ferrocenyl-1-(1<i>H</i>-indenyl)cycloheptane","Acta Crystallographica Section E","2005","61","10","m2050","m2051","10.1107/S1600536805029302","","","0.71073","MoKα","","0.0498","0.036","","","0.0734","0.0797","","","","","","0.996","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206969","17.229","0.002","15.363","0.003","27.639","0.005","90","","93.3","0.15","90","","7304","2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Tetrakis(μ~3~-thiourea)bis(μ~2~-thiourea)octakis(thiourea)hexacopper(I) hexaperchlorate","","- C14 H56 Cl6 Cu6 N28 O24 S14 -","- C14 H56 Cl6 Cu6 N28 O24 S14 -","- C56 H224 Cl24 Cu24 N112 O96 S56 -","4","1","HG6222","S. Athimoolam; J. Kumar; V. Ramakrishnan; R. K. Rajaram","Tetrakis(μ~3~-thiourea)bis(μ~2~-thiourea)octakis(thiourea)hexacopper(I) hexakis(perchlorate)","Acta Crystallographica Section E","2005","61","10","m2014","m2017","10.1107/S1600536805028588","","","0.71073","MoKα","","0.0569","0.0385","","","0.1016","0.1104","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207079","39.113","0.006","4.5063","0.0007","20.469","0.003","90","","116.449","0.002","90","","3230.1","0.9","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","9-Benzyl-3,6-dibromo-9H-carbazole","","- C19 H13 Br2 N -","- C19 H13 Br2 N -","- C152 H104 Br16 N8 -","8","2","TK6261","Duan, Xue-Min; Huang, Peng-Mian; Zheng, Peng-Wu; Li, Jiang-sheng","9-Benzyl-3,6-dibromo-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","10","o3361","o3363","10.1107/S1600536805029430","","","0.71073","MoKα","","0.118","0.045","","","0.076","0.095","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207095","24.083","0.003","7.393","0.001","18.82","0.003","90","","117.765","0.002","90","","2965","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Benzoyl-6-methyl-3-methylsulfanyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazol-4-one","","- C15 H14 N2 O3 S -","- C15 H14 N2 O3 S -","- C120 H112 N16 O24 S8 -","8","2","WW6380","Hao, Jing-Jun; Gao, Feng; Wang, You-Ming; Li, Zheng-Ming","1-Benzoyl-6-methyl-3-methylsulfanyl-6,7-dihydro-1<i>H</i>-pyrano[4,3-<i>c</i>]pyrazol-4-one","Acta Crystallographica Section E","2005","61","10","o3470","o3471","10.1107/S1600536805025547","","","0.71073","MoKα","","0.0444","0.033","","","0.0779","0.0832","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207130","9.0708","0.0018","15.997","0.006","12.113","0.002","90","0.04","111.28","0.03","90","0.03","1637.8","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Diisopropyl N,N'-(4-methyl-m-phenylene)dicarbamate","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C60 H88 N8 O16 -","4","1","AT6041","Yong-Yan Lu; Qiu-Xiang Yin; Jing-Kang Wang; Lina Zhou","Diisopropyl <i>N</i>,<i>N</i>'-(4-methyl-<i>m</i>-phenylene)dicarbamate","Acta Crystallographica Section E","2005","61","11","o3874","o3875","10.1107/S1600536805034124","","","0.71073","MoKα","","0.0491","0.0399","","","0.0971","0.1035","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207199","15.302","0.008","8.604","0.005","14.872","0.008","90","","90.25","0.01","90","","1958","1.9","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(phenylacetamido)-1H-pyrazole- 3-carbonitrile","","- C19 H11 Cl2 F3 N4 O -","- C19 H11 Cl2 F3 N4 O -","- C76 H44 Cl8 F12 N16 O4 -","4","1","CV6589","Zhang, Xiao-Hong; Chen, Jie-Zhi; Zhong, Ping; Xiao, Hong-Ping; Hu, Mao-Lin","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(phenylacetamido)-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2005","61","11","o3676","o3678","10.1107/S1600536805032514","","","0.71073","MoKα","","0.0585","0.0547","","","0.1494","0.1526","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207399","13.5526","0.0006","9.5725","0.0005","14.3309","0.0007","90","","114.072","0.002","90","","1697.49","0.15","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Diazido[N,N-bis(2-pyridylmethyl-κN)glycine-κ^2^N,O]copper(II) monohydrate","","- C14 H17 Cu N9 O3 -","- C14 H14 Cu N9 O3 -","- C56 H56 Cu4 N36 O12 -","4","1","WW6434","Cui, Yun-Cheng; Che, Guang-Bo; Liu, Chun-Bo; Li, Chuan-Bi","Diazido[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-κ<i>N</i>)glycine-κ^2^<i>N</i>,<i>O</i>]copper(II) monohydrate","Acta Crystallographica Section E","2005","61","11","m2355","m2356","10.1107/S1600536805033350","","","0.71073","MoKα","","0.0276","0.0275","","","0.083","0.0831","","","","","","1.126","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207401","11.5991","0.0016","17.114","0.002","9.2425","0.0013","90","","96.883","0.002","90","","1821.5","0.4","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-4-(3-Ethoxy-4-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol- 3(2H)-one","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","WW6439","Han, Jian-Rong; Zhen, Xiao-Li","(<i>E</i>)-4-(3-Ethoxy-4-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","11","o3815","o3816","10.1107/S160053680503360X","","","0.71073","MoKα","","0.0342","0.0306","","","0.081","0.0851","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207428","10.7956","0.0008","13.7521","0.0013","8.3078","0.0006","90","","92.274","0.006","90","","1232.42","0.17","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-5-[(2-Fluorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","","- C14 H11 F N2 O3 -","- C14 H11 F N2 O3 -","- C56 H44 F4 N8 O12 -","4","1","AT6055","Şahin, Onur; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-5-[(2-Fluorophenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde","Acta Crystallographica Section E","2005","61","12","o4279","o4281","10.1107/S1600536805038377","","","0.71073","MoKα","","0.0389","0.0303","","","0.0815","0.0828","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207457","6.986","0.002","24.629","0.007","10.333","0.003","90","","92.399","0.005","90","","1776.3","0.9","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","N-[4-(2,4-Difluorophenyl]-5-(1H-1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2- fluorobenzamide","","- C18 H10 F3 N5 O S -","- C18 H10 F3 N5 O S -","- C72 H40 F12 N20 O4 S4 -","4","1","BT6783","Du, Ding; Lu, Yan-Chang; Dai, Hong; Liu, Jian-Bing; Fang, Jian-Xin","<i>N</i>-[4-(2,4-Difluorophenyl)-5-(1<i>H</i>-1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide","Acta Crystallographica Section E","2005","61","12","o4241","o4242","10.1107/S1600536805037955","","","0.71073","MoKα","","0.0597","0.0333","","","0.0672","0.0771","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207479","8.332","0.005","10.797","0.01","8.939","0.002","90","","116.56","0.03","90","","719.3","0.8","295","","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","Zinc(II) Formaldehyde Sulfoxylate","Poly[di-μ~3~-hydroxymethanesulfinato-zinc(II)]","","- C2 H6 O6 S2 Zn -","- C2 H6 O6 S2 Zn -","- C8 H24 O24 S8 Zn4 -","4","1","CI6658","Masciocchi, Norberto; Rigamonti, Carlo; Maspero, Angelo","Poly[di-μ~3~-hydroxymethanesulfinato-zinc(II)]","Acta Crystallographica Section E","2005","61","12","m2683","m2685","10.1107/S1600536805038237","","","0.71073","MoKα","","0.0285","0.0283","","","0.0735","0.0738","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207713","24.104","0.002","12.8925","0.0012","17.5363","0.0015","90","","130.629","0.005","90","","4135.9","0.7","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetra-n-butylammonium tetrakis(pentafluorophenyl)borate","","- C40 H36 B F20 N -","- C40 H36 B F20 N -","- C160 H144 B4 F80 N4 -","4","1","AT6058","Schödel, Frauke; Lerner, Hans-Wolfram; Bru Roig, Miriam; Bolte, Michael","Tetra-<i>n</i>-butylammonium tetrakis(pentafluorophenyl)borate","Acta Crystallographica Section E","2006","62","1","o372","o373","10.1107/S1600536805040134","","","0.71073","MoKα","","0.0403","0.0326","","","0.0727","0.0753","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207936","4.7307","0.0015","17.067","0.005","9.634","0.003","90","","92.871","0.005","90","","776.9","0.4","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-Fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","1","WW6450","Li, Da-Chang; Zhou, Wei-Yi; Li, Chun-Bao","<i>N</i>-(4-Fluorophenyl)acetamide","Acta Crystallographica Section E","2006","62","1","o66","o67","10.1107/S1600536805039413","","","0.71073","MoKα","","0.0358","0.0274","","","0.0718","0.0775","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208299","19.541","0.002","9.0199","0.0008","14.8424","0.0016","90","","124.628","0.002","90","","2152.7","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C25 H24 Cl N3 O -","- C25 H24 Cl N3 O -","- C100 H96 Cl4 N12 O4 -","4","1","CV2008","Hong Jiang; Xiang-Shan Wang; Mei-Mei Zhang; Yu-Ling Li; Da-Qing Shi","2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2006","62","3","o1184","o1186","10.1107/S1600536806006465","","","0.7107","MoKα","","0.0289","0.0285","","","0.0754","0.0757","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208353","21.246","0.002","8.3301","0.0018","16.459","0.002","90","","123.109","0.006","90","","2440","0.7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","[μ-1κC^1^:2(C^2^,C^3^-η)-Allyl]tetracarbonyl-1κ^2^C,2κ^2^C-(1η^5^- cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)rutheniumiron hexafluorophosphate","","- C22 H25 F6 Fe O4 P Ru -","- C22 H25 F6 Fe O4 P Ru -","- C88 H100 F24 Fe4 O16 P4 Ru4 -","4","1","HK6077","Holger B. Friedrich; Evans O. Changamu; Melanie Rademeyer","[μ-1κ<i>C</i>^1^:2(C^2^,<i>C</i>^3^-η)-Allyl]tetracarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>-(1η^5^-cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)rutheniumiron hexafluorophosphate","Acta Crystallographica Section E","2006","62","3","m405","m407","10.1107/S1600536806003394","","","0.71073","MoKα","","0.0311","0.0299","","","0.0774","0.078","","","","","","1.052","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208360","8.0131","0.0016","29.833","0.006","8.486","0.0017","90","","110.914","0.003","90","","1895","0.7","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","catena-Poly[[[cis-diaqua(2,2'-bipyridine)cadmium(II)]-μ-3-sulfonatobenzoato] monohydrate]","","- C17 H18 Cd N2 O8 S -","- C17 H18 Cd N2 O8 S -","- C68 H72 Cd4 N8 O32 S4 -","4","1","IS2004","Miao, Xiao-He; Zhu, Long-Guan","<i>catena</i>-Poly[[[<i>cis</i>-diaqua(2,2'-bipyridine)cadmium(II)]-μ-3-sulfonatobenzoato] monohydrate]","Acta Crystallographica Section E","2006","62","3","m548","m550","10.1107/S1600536806005265","","","0.71073","MoKα","","0.084","0.063","","","0.131","0.142","","","","","","0.985","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208369","26.915","0.003","8.9166","0.0011","18.505","0.002","90","","119.443","0.002","90","","3867.4","0.8","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis{2-[3-(cyclohexylamino)propyliminomethyl]-4-nitrophenolato}copper(II) diperchlorate","","- C32 H46 Cl2 Cu N6 O14 -","- C32 H46 Cl2 Cu N6 O14 -","- C128 H184 Cl8 Cu4 N24 O56 -","4","1","KP6081","Sun, Yu-Xi; Qin, Mei; Gu, Ke-Qiang; Yang, Guang; Xie, Fei","Bis{2-[3-(cyclohexylamino)propyliminomethyl]-4-nitrophenolato}copper(II) diperchlorate","Acta Crystallographica Section E","2006","62","3","m423","m425","10.1107/S1600536806002790","","","0.71073","MoKα","","0.2072","0.0924","","","0.0951","0.1147","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208374","21.198","0.007","8.36","0.003","16.611","0.007","90","","123.43","0.03","90","","2456.7","1.8","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[μ-1κC^1^:2(C^2^,C^3^-η)-Allyl]tetracarbonyl-1κ^2^C,2κ^2^C-(1η^5^- cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)diiron hexafluorophosphate","","- C22 H25 F6 Fe2 O4 P -","- C22 H25 F6 Fe2 O4 P -","- C88 H100 F24 Fe8 O16 P4 -","4","1","LH6583","Evans O. Changamu; Holger B. Friedrich; Melanie Rademeyer","[μ-1κ<i>C</i>^1^:2(C^2^,<i>C</i>^3^-η)-Allyl]tetracarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>-(1η^5^-cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)diiron(II) hexafluorophosphate","Acta Crystallographica Section E","2006","62","3","m442","m444","10.1107/S1600536806003503","","","0.71073","MoKα","","0.1006","0.0605","","","0.1196","0.1336","","","","","","0.861","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208538","16.281","0.0013","13.8472","0.0008","9.9233","0.0009","90","","90.721","0.007","90","","2237","0.3","295","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","9-Ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole","9-Ethyl-3-(9-ethyl-9H-carbazol-3-yl)-4-nitro-9H-carbazole","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C112 H92 N12 O8 -","4","1","BV2010","Asker, Erol; Masnovi, John","9-Ethyl-3-(9<i>H</i>-9-ethylcarbazol-3-yl)-4-nitro-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","4","o1606","o1608","10.1107/S1600536806010713","","","0.71073","MoKα","","0.0611","0.0384","","","0.1001","0.1065","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208812","14.3456","0.0007","7.8603","0.0004","18.9621","0.0009","90","","96.254","0.001","90","","2125.46","0.18","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[4,5-Bis(n-pentylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiolo[4,5-c]pyrrole","","- C18 H25 N S6 -","- C18 H25 N S6 -","- C72 H100 N4 S24 -","4","1","BV2011","Brimert, Thomas; Nielsen, Kent A.; Bond, Andrew D.; Jeppesen, Jan O.","2-[4,5-Bis(<i>n</i>-pentylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiolo[4,5-<i>c</i>]pyrrole","Acta Crystallographica Section E","2006","62","5","o1702","o1703","10.1107/S1600536806011482","","","0.71073","MoKα","","0.0384","0.0363","","","0.0832","0.0844","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208943","7.4737","0.0004","19.7711","0.0013","6.0262","0.0004","90","","107.08","0.004","90","","851.18","0.09","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Glyoxal 3-nitrophenylhydrazone","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C32 H28 N12 O12 -","4","1","LH2037","Low, John N.; Wardell, James L.; Glidewell, Christopher","A hydrogen-bonded <i>C</i>(6) chain in glyoxal 3-nitrophenylhydrazone","Acta Crystallographica Section E","2006","62","5","o1816","o1818","10.1107/S160053680601186X","","","0.71073","MoKα","","0.0496","0.041","","","0.094","0.0982","","","","","","1.082","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208982","5.9049","0.0004","17.4841","0.0016","11.7553","0.0008","90","","99.113","0.006","90","","1198.32","0.16","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","3-(p-hydrohxyanilino)phthalide","3-(4-Hydroxyanilino)isobenzofuran-1(3H)-one","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","RZ2022","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Hydroxyanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1879","o1881","10.1107/S1600536806013031","","","0.71073","MoKα","","0.0263","0.0253","","","0.0659","0.0666","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209058","26.186","0.002","13.8917","0.0009","12.8986","0.0008","90","","93.197","0.002","90","","4684.8","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(1,2-ethanediamine-N,N')nickel(II) dichloride dihydrate","","- C6 H28 Cl2 N6 Ni O2 -","- C6 H28 Cl2 N6 Ni O2 -","- C72 H336 Cl24 N72 Ni12 O24 -","12","3","AC2009","Mei Chao Li; Bing Tu; Ya Qin Li; Ya Ping Lü; Zhi-Min Jin","Tris(1,2-ethanediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2006","62","6","m1405","m1407","10.1107/S1600536806017570","","","0.71073","MoKα","","0.0393","0.0344","","","0.0946","0.0987","","","","","","1.054","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209279","10.383","0.005","15.442","0.005","16.278","0.005","90","","101.135","0.016","90","","2560.8","1.7","113","2","113","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[1,2-Bis(diphenylphosphino)ethane]dinitratopalladium(II)","","- C26 H24 N2 O6 P2 Pd -","- C26 H24 N2 O6 P2 Pd -","- C104 H96 N8 O24 P8 Pd4 -","4","1","OM2018","Adrian, Rafael A.; Zhu, Shourong; Daniels, Lee M.; Tiekink, Edward R. T.; Walmsley, Judith A.","[1,2-Bis(diphenylphosphino)ethane]dinitratopalladium(II)","Acta Crystallographica Section E","2006","62","6","m1422","m1424","10.1107/S1600536806018459","","","0.71073","MoKα","","0.019","0.018","","","0.042","0.046","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209392","7.687","0.0008","31.097","0.003","6.7432","0.0007","90","","110.371","0.002","90","","1511.1","0.3","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(2,6-Difluorobenzoyl)-N'-(4,6-dimethoxypyrimidin-2-yl)urea","","- C14 H12 F2 N4 O4 -","- C14 H12 F2 N4 O4 -","- C56 H48 F8 N16 O16 -","4","1","BI2017","Wang, Qing-Dong; Xue, Si-Jia; Yan, Lin; Ke, Shao-Yong","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>'-(4,6-dimethoxypyrimidin-2-yl)urea","Acta Crystallographica Section E","2006","62","7","o2824","o2825","10.1107/S1600536806021684","","","0.71073","MoKα","","0.0472","0.0359","","0.0747","0.0675","0.0747","","","","","","0.9564","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209462","10.7538","0.0005","19.3999","0.0009","8.79","0.0003","90","","112.886","0.002","90","","1689.44","0.13","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","2-(2-Methylphenyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","CV2065","Seethalakshmi, T.; Puratchikody, A.; Lynch, Daniel E.; Kaliannan, P.; Thamotharan, S.","2-(2-Methylphenyl)-4,5-diphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2006","62","7","o2803","o2804","10.1107/S160053680602109X","","","0.71073","MoKα","","0.0486","0.0408","","","0.0985","0.1028","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209506","9.0693","0.0003","11.1141","0.0004","12.608","0.0005","90","","102.916","0.002","90","","1238.7","0.08","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","Kynathrin 4-hydroxy benzoic acid","2-Amino-4,6-dimethylpyrimidine‒4-hydroxybenzoic acid (1/1)","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","HB2063","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Daniel E. Lynch","2-Amino-4,6-dimethylpyrimidine‒4-hydroxybenzoic acid (1/1)","Acta Crystallographica Section E","2006","62","7","o2907","o2909","10.1107/S1600536806022239","","","0.71073","MoKα","","0.0454","0.0583","","","0.1192","0.1298","","","","","","1.339","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209884","10.552","0.002","10.564","0.0019","22.238","0.004","90","","100.803","0.016","90","","2435","0.8","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O')cadmate(II)","","- C20 H20 Cd N14 O8 -","- C20 H20 Cd N14 O8 -","- C80 H80 Cd4 N56 O32 -","4","1","HK2076","Aghabozorg, Hossein; Aghajani, Zahra; Sharif, Mahboubeh A.","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cadmate(II)","Acta Crystallographica Section E","2006","62","8","m1930","m1932","10.1107/S1600536806027772","","","0.71073","MoKα","","0.034","0.0269","","","0.068","0.0691","","","","","","1.001","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210034","11.662","0.005","16.242","0.008","11.398","0.005","90","","115.078","0.019","90","","1955.4","1.6","298","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl 2,3-dimethylpiperidin-1-yl ketone","","- C19 H25 Cl2 N O2 -","- C19 H25 Cl2 N O2 -","- C76 H100 Cl8 N4 O8 -","4","1","XU2084","Na-Bo Sun; Cheng-Xia Tan; Jian-Quan Weng; De-Long Shen","2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl 2,3-dimethylpiperidin-1-yl ketone","Acta Crystallographica Section E","2006","62","8","o3486","o3487","10.1107/S160053680602811X","","","0.71075","MoKα","","","0.034","","","","0.085","","","","","","1.022","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210176","13.93","0.003","13.499","0.003","8.904","0.0018","90","","96.95","0.03","90","","1662","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Methyl 2-amino-4-(2',6'-difluorophenyl)-4H-naphtho[1,2-b]chromene-3-carboxylate","","- C21 H15 F2 N O3 -","- C21 H15 F2 N O3 -","- C84 H60 F8 N4 O12 -","4","1","CI2149","Guo, Cheng; Tang, Qing-Gang; Wu, Wen-Yuan; Zhang, Dong-Mei","Methyl 2-amino-4-(2,6-difluorophenyl)-4<i>H</i>-naphtho[1,2-<i>b</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2006","62","9","o4098","o4099","10.1107/S160053680603340X","","","0.71073","MoKα","","0.0687","0.0618","","","0.1764","0.1843","","","","","","1.056","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210278","14.6291","0.0005","19.9859","0.0007","7.5743","0.0003","90","","105.529","0.001","90","","2133.7","0.13","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline)(tetrahydroborato)copper(I)","","- C26 H24 B Cu N2 -","- C26 H24 B Cu N2 -","- C104 H96 B4 Cu4 N8 -","4","1","HK2089","Moncol, Jan; Gembicky, Milan; Coppens, Philip","(2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline)(tetrahydroborato)copper(I): a redetermination at 90 K","Acta Crystallographica Section E","2006","62","9","m2177","m2179","10.1107/S1600536806031308","","","0.71073","MoKα","","0.0305","0.0258","","","0.059","0.0603","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210393","12.265","0.003","12.542","0.002","10.98","0.002","90","","93.59","0.02","90","","1685.7","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[[diphenylethyltin(IV)]-μ-chlorocetato-κ^2^O:O']","","- C16 H17 Cl O2 Sn -","- C16 H17 Cl O2 Sn -","- C64 H68 Cl4 O8 Sn4 -","4","1","TK2065","Amini, Mostafa M.; Alijani, Vajihe; Azadmeher, Amirreza; Khavasi, Hamidreza; Ng, Seik Weng","<i>catena</i>-Poly[[diphenylethyltin(IV)]-μ-chloroacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","9","m2028","m2029","10.1107/S1600536806029114","","","0.71073","MoKα","","0.026","0.024","","","0.059","0.061","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210436","11.515","0.002","11.765","0.002","14.883","0.003","90","","97.117","0.003","90","","2000.7","0.6","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-{2-[2-(4-Nitrophenoxy)ethoxy]ethoxy}ethyl toluene-4-sulfonate","","- C19 H23 N O8 S -","- C19 H23 N O8 S -","- C76 H92 N4 O32 S4 -","4","1","XU2090","Guo, Dian-Shun; Zhang, Xin-Yan; Liu, Zhi-Peng; Ma, Jian-Ping","2-{2-[2-(4-Nitrophenoxy)ethoxy]ethoxy}ethyl toluene-4-sulfonate","Acta Crystallographica Section E","2006","62","9","o3655","o3656","10.1107/S1600536806029308","","","0.71073","MoKα","","0.035","0.034","","","0.088","0.088","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210437","31.906","0.016","6.13","0.003","8.726","0.004","90","","98.428","0.007","90","","1688.2","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Amino-2,5-bis(4-methoxybenzyl)-1,3,4-triazole","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C72 H80 N16 O8 -","4","1","XU2091","Feng Xu; Wei-Xiao Hu; Wei Zhou; Chun-Nian Xia","1-Amino-2,5-bis(4-methoxybenzyl)-1,3,4-triazole","Acta Crystallographica Section E","2006","62","9","o4058","o4059","10.1107/S160053680602945X","","","0.71073","MoKα","","0.107","0.076","","","0.181","0.202","","","","","","0.958","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210684","7.554","0.001","15.323","0.001","11.714","0.001","90","","97.134","0.001","90","","1345.4","0.2","293","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-(4-Bromobenzylidene)-2,4-dimethylaniline","","- C15 H14 Br N -","- C15 H14 Br N -","- C60 H56 Br4 N4 -","4","1","JH2040","Jiao, Yuan-Hong; Zhang, Qian; Ng, Seik Weng","<i>N</i>-(4-Bromobenzylidene)-2,4-dimethylaniline","Acta Crystallographica Section E","2006","62","10","o4375","o4376","10.1107/S1600536806035781","","","0.71073","MoKα","","0.053","0.044","","","0.126","0.137","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210769","17.5329","0.0013","15.6345","0.0009","7.4723","0.0006","90","","96.932","0.006","90","","2033.3","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,5-Bis(3-bromothien-2-yl)-3-(3-nitrophenyl)pentane-1,5-dione","","- C19 H13 Br2 N O4 S2 -","- C19 H13 Br2 N O4 S2 -","- C76 H52 Br8 N4 O16 S8 -","4","1","SG2053","Yathirajan, H. S.; Sarojini, B. K.; Ashalatha, B. V; Narayana, B.; Bolte, Michael","1,5-Bis(3-bromo-2-thienyl)-3-(3-nitrophenyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","10","o4554","o4555","10.1107/S1600536806036993","","","0.71073","MoKα","","0.0446","0.0423","","","0.1097","0.1119","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210831","12.547","0.0006","12.0008","0.0005","11.2363","0.0004","90","","93.452","0.001","90","","1688.83","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[[ethyldiphenyltin(IV)]-μ-dichloroacetato-κ^2^O:O']","","- C16 H16 Cl2 O2 Sn -","- C16 H16 Cl2 O2 Sn -","- C64 H64 Cl8 O8 Sn4 -","4","1","XU2117","Amini, Mostafa M.; Alijani, Vajihe; Azadmeher, Amirreza; Ng, Seik Weng","<i>catena</i>-Poly[[ethyldiphenyltin(IV)]-μ-dichloroacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","10","m2427","m2428","10.1107/S1600536806034672","","","0.71073","MoKα","","0.018","0.017","","","0.047","0.059","","","","","","1.2","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210943","17.2382","0.0019","11.5365","0.0013","8.9811","0.001","90","","90.631","0.002","90","","1785.9","0.3","292","2","292","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-Phenyl-2-(piperidin-4-yl)benzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4(3H)-one","","- C21 H19 N3 O S -","- C21 H19 N3 O S -","- C84 H76 N12 O4 S4 -","4","1","CS2017","Xiang Wang; Ai-Hua Zheng; Sheng-Zhen Xu","3-Phenyl-2-(piperidin-4-yl)benzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o4791","o4792","10.1107/S1600536806039407","","","0.71073","MoKα","","0.0796","0.0543","","","0.1006","0.1112","","","","","","0.972","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211019","6.074","0.001","23.338","0.003","8.527","0.002","90","","96.84","0.03","90","","1200.1","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Acetaldehyde 2,4-dinitrophenylhydrazone","(<i>E</i>)-1-benzylidene-2-(4-nitrophenyl)hydrazone","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","HB2160","Yin, Zhi-Gang; Qian, Heng-Yu; Jia Jia; Zhou Na; Feng, Ling-Qin","(<i>E</i>)-1-Benzylidene-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2006","62","11","o4913","o4914","10.1107/S1600536806040372","","","0.71073","MoKα","","0.1242","0.0349","","","0.0574","0.074","","","","","","0.722","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211098","33.371","0.002","6.9767","0.0005","5.8228","0.0003","90","","90.376","0.004","90","","1355.63","0.14","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2E)-1-(4-Chlorophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C16 H13 Cl O S -","- C16 H13 Cl O S -","- C64 H52 Cl4 O4 S4 -","4","1","LH2180","Harrison, William T. A.; Yathirajan, H. S.; Narayana, B.; Mithun, A.; Sarojini, B. K.","(2<i>E</i>)-1-(4-Chlorophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o5290","o5292","10.1107/S1600536806037330","","","0.71073","MoKα","","0.0495","0.0405","","","0.0833","0.087","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211285","15.819","0.004","20.899","0.005","9.994","0.002","90","","117.307","0.004","90","","2935.8","1.2","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Methyl 3-[(E)-2-(4-bromobenzoylmethylidene)imidazolidin-1-yl]acrylate","","- C15 H15 Br N2 O3 -","- C15 H15 Br N2 O3 -","- C120 H120 Br8 N16 O24 -","8","2","BI2079","Yu, Chu-Yi; Gao, Hong-Yun; Qiao, Yan","Methyl 3-[(<i>E</i>)-2-(4-bromobenzoylmethylidene)imidazolidin-1-yl]acrylate","Acta Crystallographica Section E","2006","62","12","o5443","o5444","10.1107/S1600536806046101","","","0.71073","MoKα","","0.0982","0.0411","","","0.0766","0.0932","","","","","","0.967","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211332","10.1803","0.0004","13.805","0.0007","13.653","0.0008","90","","99.68","0.004","90","","1891.46","0.17","303","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Aminobenzoic acid‒nicotinic acid (2/1)","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C80 H76 N12 O24 -","4","1","CI2206","Samuel Robinson Jebas; Thailampillai Balasubramanian","4-Aminobenzoic acid‒nicotinic acid (2/1)","Acta Crystallographica Section E","2006","62","12","o5621","o5622","10.1107/S1600536806046812","","","0.71073","MoKα","","","0.0747","","","","0.2343","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211452","13.5072","0.001","14.7298","0.001","20.481","0.002","90","","93.22","0.05","90","","4068.4","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2-Benzoylbenzoato-κO)triphenyl(triphenylphosphine oxide-κO)tin(IV)","","- C50 H39 O4 P Sn -","- C50 H39 O4 P Sn -","- C200 H156 O16 P4 Sn4 -","4","1","HK2118","Diop, Cheikh Abdoul Khadir; Touré, Assane; Diop, Libasse; Welter, Richard","(2-Benzoylbenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2006","62","12","m3338","m3340","10.1107/S160053680604726X","","","0.71073","MoKα","","0.0524","0.0362","","","0.0682","0.0739","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211657","4.768","0.003","25.59","0.016","12.821","0.008","90","","97.687","0.01","90","","1550.3","1.7","292","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate‒ethyl 4-oxo-1,4-dihydropyrimidine-5-carboxylate (1/1)","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C56 H64 N16 O24 -","8","2","WN2076","De-Jun Xiong; Cui-Ping Han; Hai-Bing Li","Two tautomers in one crystal structure: ethyl 6(4)-oxo-1,6(1,4)-dihydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","12","o5501","o5502","10.1107/S1600536806045995","","","0.71073","MoKα","","0.0767","0.0527","","","0.1088","0.1176","","","","","","1.033","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211799","15.8575","0.0009","12.3884","0.0007","9.0359","0.0005","90","","102.889","0.001","90","","1730.37","0.17","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Cyclobutane-1,1-dicarboxylato)(2-morpholinoethylamine)platinum(II) trihydrate","","- C12 H26 N2 O8 Pt -","- C12 H26 N2 O8 Pt -","- C48 H104 N8 O32 Pt4 -","4","1","ER2022","Ming-Jin Xie; Xi-Zhu Chen; Wei-Ping Liu; Yao Yu; Qing-Shong Ye","(Cyclobutane-1,1-dicarboxylato)(2-morpholinoethylamine)platinum(II) trihydrate","Acta Crystallographica Section E","2007","63","1","m117","m119","10.1107/S1600536806052329","","","0.71073","MoKα","","0.017","0.0148","","","0.0332","0.0341","","","","","","0.867","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211859","7.9058","0.001","21.191","0.003","8.8305","0.0013","90","","111.989","0.004","90","","1371.8","0.3","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","1,3-Dipropionyl-2,4,6-trimethylbenzene","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","HK2176","Pinkus, A.G.; Klausmeyer, Kevin K.; Kalyanam, Nagabushanam","1,3-Dipropionyl-2,4,6-trimethylbenzene","Acta Crystallographica Section E","2007","63","1","o277","o278","10.1107/S1600536806053256","","","0.71073","MoKα","","0.0347","0.0327","","","0.0915","0.0933","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211952","10.3644","0.0017","15.1394","0.0019","14.1042","0.0015","90","","106.943","0.011","90","","2117","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-nitroaniline‒picric acid (2/1)","","- C18 H15 N7 O11 -","- C18 H15 N7 O11 -","- C72 H60 N28 O44 -","4","1","SJ2197","Kolandaivelu Saminathan; Kandasamy Sivakumar","A 2:1 complex of 2-nitroaniline and picric acid","Acta Crystallographica Section E","2007","63","1","o354","o356","10.1107/S1600536806053785","","","1.54184","CuKα","","0.067","0.0558","","","0.165","0.179","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211980","17.867","0.004","11.871","0.002","8.8912","0.0017","90","","115.793","0.003","90","","1697.9","0.6","292","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Diethyl 6-(2-hydroxyethyl)-1,4-dioxo-2,2a,3,4,6,7-hexahydro-1H,5H- 2,3,4a,6,7a-pentaazacyclopenta[cd]indene-2a,7b-dicarboxylate","","- C14 H21 N5 O7 -","- C14 H21 N5 O7 -","- C56 H84 N20 O28 -","4","1","XU2178","Li, Yi-Tao; Li, Juan; Wen, Li-Li","Diethyl 6-(2-hydroxyethyl)-1,4-dioxo-2,2a,3,4,6,7-hexahydro-1<i>H</i>,5<i>H</i>-2,3,4a,6,7a-pentaazacyclopenta[<i>cd</i>]indene-2a,7b-dicarboxylate","Acta Crystallographica Section E","2007","63","1","o287","o288","10.1107/S1600536806053244","","","0.71073","MoKα","","0.072","0.05","","","0.115","0.152","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212098","10.1657","0.0003","10.3602","0.0003","26.6975","0.0007","90","","92.115","0.002","90","","2809.83","0.14","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","(E,E)-N,N'-Bis(4-chlorophenyl)ethylenediamine","(E,E)-N,N'-Bis(4-chlorophenyl)ethylenediamine","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C128 H112 Cl16 N16 -","8","2","CI2267","Hadariah Bahron; Karimah Kassim; Sharifah Rohaiza Syed Omar; Shadatul Hanum Rashid; Hoong-Kun Fun; Suchada Chantrapromma","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4-chlorophenyl)ethylenediamine","Acta Crystallographica Section E","2007","63","2","o558","o560","10.1107/S1600536807000025","","","0.71073","MoKα","","0.0294","0.0282","","","0.0735","0.0744","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212328","6.3062","0.0002","30.3062","0.0008","13.1854","0.0004","90","","94.549","0.001","90","","2512.02","0.13","100","0.1","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","3-(5-Br-2-thienyl)-1-(4-nitrophenyl)prop-2-en-1-one","3-(5-Bromo-2-thienyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C13 H8 Br N O3 S -","- C13 H8 Br N O3 S -","- C104 H64 Br8 N8 O24 S8 -","8","2","OM2091","P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","3-(5-Bromo-2-thienyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o785","o786","10.1107/S1600536807001730","","","0.71073","MoKα","","0.0499","0.0415","","","0.1068","0.1163","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212430","9.894","0.0012","21.637","0.003","9.9734","0.0012","90","","109.671","0.001","90","","2010.5","0.4","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tripyridinium trinitrate","","- C18 H15 N9 O9 -","- C18 H15 N9 O9 -","- C72 H60 N36 O36 -","4","1","AC2048","Shou-Rong Zhu; Wan-Dong Chen; Hong-Jian Zhao; Min Shao; Ming-Xing Li","4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tripyridinium trinitrate","Acta Crystallographica Section E","2007","63","3","o1344","o1346","10.1107/S160053680604431X","","","0.71073","MoKα","","0.0371","0.0327","","","0.0793","0.0824","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212479","36.723","0.014","7.303","0.003","6.0172","0.0016","90","","93.06","0.03","90","","1611.4","1","296","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(2E)-3-(Biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one","","- C21 H15 Cl O -","- C21 H15 Cl O -","- C84 H60 Cl4 O4 -","4","1","BT2259","Fischer, Andreas; Yathirajan, H. S.; Ashalatha, B. V.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-(Biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","3","o1353","o1354","10.1107/S1600536807006903","","","0.71073","MoKα","","0.1246","0.0666","","","0.1315","0.1603","","","","","","1.12","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212480","37.35","0.03","7.3663","0.0015","6.0978","0.0017","90","","92.63","0.04","90","","1675.9","1.5","296","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(2E)-3-(Biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one","","- C21 H15 Br O -","- C21 H15 Br O -","- C84 H60 Br4 O4 -","4","1","BT2260","Fischer, Andreas; Yathirajan, H. S.; Ashalatha, B. V.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-(Biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","3","o1355","o1356","10.1107/S1600536807006915","","","0.71073","MoKα","","0.1098","0.0635","","","0.1303","0.1576","","","","","","1.169","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212482","35.232","0.003","7.4972","0.0005","6.2113","0.0003","90","","95.509","0.006","90","","1633.08","0.19","296","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","(2E)-3-(Biphenyl-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","BT2262","Fischer, Andreas; Yathirajan, H. S.; Ashalatha, B. V.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-(Biphenyl-4-yl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","3","o1349","o1350","10.1107/S1600536807006885","","","0.71073","MoKα","","0.0814","0.0572","","","0.1272","0.1451","","","","","","1.122","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212698","14.607","0.004","11.904","0.004","9.257","0.003","90","","126.051","0.004","90","","1301.4","0.7","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Pyridinium 4-carboxy-2-nitrobenzoate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C52 H40 N8 O24 -","4","1","SJ2218","Chen, Jiao-Jiao; Guo, Ming-Lin","Pyridinium 4-carboxy-2-nitrobenzoate","Acta Crystallographica Section E","2007","63","3","o1400","o1401","10.1107/S1600536807007556","","","0.71073","MoKα","","0.0307","0.0266","","","0.0652","0.0673","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212853","7.478","0.002","14.656","0.004","7.4","0.002","90","","93.872","0.004","90","","809.2","0.4","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Nitrobenzenesulfonamide","","- C6 H6 N2 O4 S -","- C6 H6 N2 O4 S -","- C24 H24 N8 O16 S4 -","4","1","DN2143","Hua-Long, Cheng; Chun-Fang, Huang","2-Nitrobenzenesulfonamide","Acta Crystallographica Section E","2007","63","4","o1979","o1980","10.1107/S1600536807012664","","","0.71073","MoKα","","0.0204","0.0202","","","0.0558","0.056","","","","","","1.092","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212885","8.4929","0.0008","23.8609","0.0013","7.5005","0.0005","90","","120.19","0.007","90","","1313.8","0.19","220","2","220","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2-(5-Bromo-2-methyl-4-nitroimidazol-1-yl)-1-(2-chlorophenyl)ethanone","","- C12 H9 Br Cl N3 O3 -","- C12 H9 Br Cl N3 O3 -","- C48 H36 Br4 Cl4 N12 O12 -","4","1","HB2306","Tykarska, Ewa; Wierzchowski, Marcin; Gdaniec, Maria; Sobiak, Stanisław","2-(5-Bromo-2-methyl-4-nitroimidazol-1-yl)-1-(2-chlorophenyl)ethanone","Acta Crystallographica Section E","2007","63","4","o1669","o1671","10.1107/S1600536807010124","","","0.71073","MoKα","","0.0232","0.0222","","","0.0533","0.0539","","","","","","1.097","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212895","13.7442","0.0002","15.0424","0.0002","8.312","0.0001","90","","103.095","0.001","90","","1673.78","0.04","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2'-[(5-Chloro-1H-indol-3-yl)methylene]-2-(1H-indol-3-yl)acetohydrazide","","- C19 H15 Cl N4 O -","- C19 H15 Cl N4 O -","- C76 H60 Cl4 N16 O4 -","4","1","HB2318","Ali, Hapipah M.; Nazzatush Shimar, Jamaludin; Wan Jefrey, Basirun; Ng, Seik Weng","2'-[(5-Chloro-1<i>H</i>-indol-3-yl)methylene]-2-(1<i>H</i>-indol-3-yl)acetohydrazide","Acta Crystallographica Section E","2007","63","4","o1807","o1808","10.1107/S160053680701135X","","","0.71073","MoKα","","0.027","0.026","","","0.07","0.084","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212915","16.024","0.003","11.3","0.002","7.8015","0.0016","90","","114.79","0.03","90","","1282.5","0.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4,4'-(ethylenedioxy)dibenzaldehyde","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","HG2194","Ashish Kumar Tewari; Ved Prakash Singh; Carmen Puerta; Pedro Valerga","A new polymorph of 4,4'-(ethylenedioxy)dibenzaldehyde","Acta Crystallographica Section E","2007","63","4","o1930","o1931","10.1107/S1600536807012408","","","0.71073","MoKα","","0.0388","0.0386","","","0.1068","0.107","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212921","10.5205","0.0018","11.784","0.002","10.3702","0.0017","90","","111.056","0.003","90","","1199.8","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-(3-Phenylpropyl)guanidinium bromide","","- C10 H16 Br N3 -","- C10 H16 Br N3 -","- C40 H64 Br4 N12 -","4","1","HG2211","Stanford, Daniel J.; Fernandez, Richard A.; Zeller, Matthias; Hunter, Allen D.","<i>N</i>-(3-Phenylpropyl)guanidinium bromide","Acta Crystallographica Section E","2007","63","4","o1934","o1936","10.1107/S160053680701238X","","","0.71073","MoKα","","0.063","0.0583","","","0.1394","0.1412","","","","","","1.144","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212953","49.2086","0.0006","5.0292","0.0001","9.8401","0.0001","90","","98.186","0.001","90","","2410.41","0.06","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(2,4-Dihydroxyphenyl)ethanone [(1<i>H</i>-indol-3-yl)acetyl]hydrazone‒ 2-(1<i>H</i>-indol-3-yl)acetohydrazide (1/1)","","- C28 H28 N6 O4 -","- C28 H28 N6 O4 -","- C112 H112 N24 O16 -","4","1","LH2323","Ali, Hapipah M.; Zuraini, Kadir; Wan Jefrey, Basirun; Ng, Seik Weng","1-(2,4-Dihydroxyphenyl)ethanone [(1<i>H</i>-indol-3-yl)acetyl]hydrazone‒2-(1<i>H</i>-indol-3-yl)acetohydrazide (1/1)","Acta Crystallographica Section E","2007","63","4","o1729","o1730","10.1107/S1600536807010860","","","0.71073","MoKα","","0.049","0.047","","","0.138","0.147","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213178","17.133","0.003","17.062","0.003","20.13","0.004","90","","93.02","0.04","90","","5876.3","1.9","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl [5-(2-hydroxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]oxoacetate","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C224 H256 N32 O64 -","16","4","BT2337","Kettmann, Viktor; Světlík Jan; Veizerová Lucia","Ethyl [5-(2-hydroxyphenyl)-3-methyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]oxoacetate","Acta Crystallographica Section E","2007","63","5","o2607","o2608","10.1107/S1600536807019083","","","0.71073","MoKα","","0.1497","0.0672","","","0.1489","0.1858","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213204","11.2689","0.0008","35.612","0.002","8.8848","0.0006","90","","99.785","0.001","90","","3513.7","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 2-(1H-indol-3-yl)-5-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]- 4-nitro-3-(p-tolyl)pyrrolidine-2-carboxylate","","- C39 H38 N4 O6 -","- C39 H38 N4 O6 -","- C156 H152 N16 O24 -","4","1","CI2318","G. T. Sruthi; D. Gayathri; D. Velmurugan; K. Ravikumar; N. Arumugam","Ethyl 2-(1<i>H</i>-indol-3-yl)-5-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-4-nitro-3-(<i>p</i>-tolyl)pyrrolidine-2-carboxylate","Acta Crystallographica Section E","2007","63","5","o2221","o2223","10.1107/S1600536807014274","","","0.71073","MoKα","","0.0572","0.0526","","","0.1394","0.147","","","","","","1.127","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213304","12.6384","0.0009","17.2427","0.0012","8.8721","0.0006","90","","90.777","0.001","90","","1933.2","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(propane-1,2-diamine-κ^2^N,N')zinc(II) dichloride dihydrate","","- C9 H34 Cl2 N6 O2 Zn -","- C9 H34 Cl2 N6 O2 Zn -","- C36 H136 Cl8 N24 O8 Zn4 -","4","1","FJ2009","Fowkes, Adrian; Harrison, William T. A.","Tris(propane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')zinc(II) dichloride dihydrate","Acta Crystallographica Section E","2007","63","5","m1249","m1251","10.1107/S1600536807014766","","","0.71073","MoKα","","0.0588","0.0416","","","0.0967","0.1017","","","","","","0.966","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2213466","3.8716","0.0003","15.8019","0.0014","10.8874","0.0009","90","","91.785","0.001","90","","665.75","0.1","296","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-(1<i>H</i>-1,2,4-Triazol-3-yl)-4<i>H</i>-1,2,4-triazole monohydrate","","- C4 H6 N6 O -","- C4 H6 N6 O -","- C16 H24 N24 O4 -","4","1","LH2370","Jia, Li-Hui; Liu, Zu-Li; Liu, Wei","4-(1<i>H</i>-1,2,4-Triazol-3-yl)-4<i>H</i>-1,2,4-triazole monohydrate","Acta Crystallographica Section E","2007","63","5","o2766","o2766","10.1107/S1600536807020272","","","0.71073","Mokα","","0.0351","0.0344","","","0.0882","0.089","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213486","17.8611","0.0003","11.9929","0.0003","9.4946","0.0002","90","","95.54","0.001","90","","2024.3","0.07","100","0.1","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[2,2'-{1,2-Phenylenebis(nitrilomethylylidyne)}diphenolato- κ^4^O,N,N',O'](pyridine-κN)zinc(II)","","- C25 H19 N3 O2 Zn -","- C25 H19 N3 O2 Zn -","- C100 H76 N12 O8 Zn4 -","4","1","NG2249","Naser Eltaher Eltayeb; Siang Guan Teoh; Shea-Lin Ng; Hoong-Kun Fun; Kamarulazizi Ibrahim","{2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(pyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2007","63","5","m1284","m1285","10.1107/S1600536807017618","","","0.71073","MoKα","","0.0645","0.0452","","","0.095","0.104","","","","","","1.068","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213658","30.1171","0.0018","8.0187","0.0007","13.4661","0.0008","90","","111.902","0.004","90","","3017.3","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2-Bromo-N'-[(1E)-(4-fluorophenyl)methylene]-5-methoxybenzohydrazide monohydrate","","- C15 H14 Br F N2 O3 -","- C15 H14 Br F N2 O3 -","- C120 H112 Br8 F8 N16 O24 -","8","2","AT2297","Narayana, B.; Sunil, K.; Yathirajan, H.S.; Sarojini, B.K.; Bolte, Michael","2-Bromo-<i>N</i>'-[(<i>E</i>)-(4-fluorophenyl)methylene]-5-methoxybenzohydrazide monohydrate","Acta Crystallographica Section E","2007","63","6","o2948","o2948","10.1107/S1600536807024348","","","0.71073","MoKα","","0.0851","0.0801","","","0.1956","0.2016","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213666","13.179","0.003","11.897","0.002","12.314","0.003","90","","96.03","0.03","90","","1920","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole)copper(II)] -μ-1,4-cyclohexanedicarboxylato-κ^2^<i>O</i>,<i>O</i>'] monohydrate]","","- C16 H24 Cu N4 O5 -","- C16 H24 Cu N4 O5 -","- C64 H96 Cu4 N16 O20 -","4","1","BG2052","Gejihu De","<i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole)copper(II)]-μ-1,4-cyclohexanedicarboxylato-κ^2^<i>O</i>,<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2007","63","6","m1748","m1749","10.1107/S1600536807023628","","","0.71073","MoKα","","0.0265","0.0238","","","0.0576","0.0586","","","","","","1.088","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213692","13.1725","0.0011","25.6651","0.0017","10.1222","0.0009","90","","104.14","0.01","90","","3318.4","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chlorido(6,7-dimethyl-2,3-dipyridin-2-ylquinoxaline-κ^2^N,N')(η^6^- 1,2,4,5-tetramethylbenzene)ruthenium(II) hexafluorophosphate acetonitrile solvate","","- C32 H33 Cl F6 N5 P Ru -","- C32 H33 Cl F6 N5 P Ru -","- C128 H132 Cl4 F24 N20 P4 Ru4 -","4","1","BT2357","Therrien, Bruno; Süss-Fink, Georg","Chlorido(6,7-dimethyl-2,3-dipyridin-2-ylquinoxaline-κ^2^<i>N</i>,<i>N</i>')(η^6^-1,2,4,5-tetramethylbenzene)ruthenium(II) hexafluorophosphate acetonitrile solvate","Acta Crystallographica Section E","2007","63","6","m1627","m1627","10.1107/S1600536807021861","","","0.71073","MoKα","","0.0291","0.0257","","","0.0614","0.0635","","","","","","1.014","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213816","18.3554","0.0009","12.3477","0.0006","8.4209","0.0005","90","","91.0467","0.0017","90","","1908.25","0.17","298","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(4,6-Dimethoxypyrimidine-2-ylsulfanyl)-N-(3-nitrophenyl)benzamide","","- C19 H16 N4 O5 S -","- C19 H16 N4 O5 S -","- C76 H64 N16 O20 S4 -","4","1","HG2230","Bin Mao; Jing Lv; Jun Wu; Qing-sen Yu","2-(4,6-Dimethoxypyrimidine-2-ylsulfanyl)-<i>N</i>-(3-nitrophenyl)benzamide","Acta Crystallographica Section E","2007","63","6","o2930","o2930","10.1107/S1600536807022842","","","0.71075","MoKα","","","0.0315","","","","0.0808","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213818","24.649","0.003","14.0182","0.0011","21.4453","0.0017","90","","102.307","0.002","90","","7239.8","1.2","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[13,27-Dimethyl-3,6,9,17,20,23-hexaazatricyclo[23.3.1.1^11,15^]triaconta- 1(29),2,9,11,13,15(30),16,23,25,27-decaene-29,30-diol- κ^5^N^3^,N^6^,N^9^,O^29^,O^30^]bis(nitrato-κ^2^O,O')lutetium(III)‒ nitrate‒water‒ethyl acetate (1/1/0.5/0.25)","","- C27 H37 Lu N9 O12 -","- C27 H37 Lu N9 O12 -","- C216 H296 Lu8 N72 O96 -","8","2","HG2233","Hu, Xue-Lei; Chen, Zhong; Qiu, Li; Pan, Zhi-Quan","[13,27-Dimethyl-3,6,9,17,20,23-hexaazatricyclo[23.3.1.1^11,15^]triaconta-1(29),2,9,11,13,15(30),16,23,25,27-decaene-29,30-diol-κ^5^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^9^,<i>O</i>^29^,<i>O</i>^30^]bis(nitrato-κ^2^<i>O</i>,<i>O</i>')lutetium(III)‒nitrate‒water‒ethyl acetate (1/1/0.5/0.25)","Acta Crystallographica Section E","2007","63","6","m1668","m1669","10.1107/S1600536807022350","","","0.71073","MoKα","","0.059","0.0503","","","0.1025","0.1042","","","","","","0.978","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2213850","10.352","0.002","19.028","0.004","9.621","0.002","90","","107.02","0.03","90","","1812.1","0.7","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-benzyl-3-(4-chlorophenyl)-3-phenylacrylamide","","- C22 H18 Cl N O -","- C22 H18 Cl N O -","- C88 H72 Cl4 N4 O4 -","4","1","IM2014","Hu, Yi-Min; Cheng, Dong; Wu, Feng-Hua; Ren, Dong; Ou-Yang Ying","<i>N</i>-Benzyl-3-(4-chlorophenyl)-3-phenylacrylamide","Acta Crystallographica Section E","2007","63","6","o3038","o3038","10.1107/S1600536807023641","","","0.71073","MoKα","","0.0672","0.0552","","","0.1011","0.1034","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213958","7.591","0.002","13.311","0.002","6.4023","0.0014","90","","110.9","0.02","90","","604.3","0.2","100","0.3","100","0.3","","","","","","","","4","C 1 c 1","C -2yc","9","","2,3,4,5,6-Pentafluoroaniline","","- C6 H2 F5 N -","- C6 H2 F5 N -","- C24 H8 F20 N4 -","4","1","SG2169","Maria Gdaniec","2,3,4,5,6-Pentafluoroaniline","Acta Crystallographica Section E","2007","63","6","o2954","o2954","10.1107/S1600536807023197","","","0.71073","MoKα","","0.0252","0.0247","","","0.0645","0.0647","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214063","18.201","0.001","6.9","0.001","25.01","0.001","90","","99.4","0.03","90","","3098.8","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetraaquabis(4,4'-bipyridine)iron(II) pyridine-2,6-dicarboxylate tetrahydrate","","- C27 H35 Fe N5 O12 -","- C27 H35 Fe N5 O12 -","- C108 H140 Fe4 N20 O48 -","4","1","BI2196","Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling","Tetraaquabis(4,4'-bipyridine)iron(II) pyridine-2,6-dicarboxylate tetrahydrate","Acta Crystallographica Section E","2007","63","7","m1845","m1846","10.1107/S1600536807027973","","","0.71073","MoKα","","0.0414","0.0367","","","0.1003","0.1052","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214258","9.594","0.004","24.286","0.011","9.715","0.004","90","","114.864","0.005","90","","2053.8","1.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[[tri-n-butyltin(IV)]-μ-pyridine-3-carboxylato-κ^2^N:O]","","- C18 H31 N O2 Sn -","- C18 H31 N O2 Sn -","- C72 H124 N4 O8 Sn4 -","4","1","HK2268","Tian-Duo Li; Hai-Ying You","<i>catena</i>-Poly[[tri-<i>n</i>-butyltin(IV)]-μ-pyridine-3-carboxylato-κ^2^<i>N</i>:O]","Acta Crystallographica Section E","2007","63","7","m1870","m1870","10.1107/S1600536807027237","","","0.71073","MoKα","","0.0711","0.0584","","","0.1506","0.1628","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2214343","12.7337","0.0011","6.9096","0.0006","13.7852","0.0013","90","","115.623","0.011","90","","1093.6","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","nitroguanidinium nitrate‒guanidinium nitrate (1/1)","","- C2 H11 N9 O8 -","- C2 H11 N9 O8 -","- C8 H44 N36 O32 -","4","1","NC2037","Steinhauser, Georg; Crawford, Margaret-Jane; Darwich, Chaza; Klapötke, Thomas M.; Miró Sabaté, Carles; Welch, Jan M.","The energetic double salt nitroguanidinium nitrate‒guanidinium nitrate (1/1)","Acta Crystallographica Section E","2007","63","7","o3100","o3101","10.1107/S1600536807026451","","","0.71073","MoKα","","0.0421","0.0277","","","","0.0544","","","","","","0.881","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214396","90.019","0.014","5.8228","0.0009","7.5301","0.0012","90","","90.868","0.004","90","","3946.5","1.1","173","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","1,5-Bis(4-fluorophenyl)penta-1,4-dien-3-one","","- C17 H12 F2 O -","- C17.0235 H12 F2.00293 O1.00147 -","- C204.282 H144 F24.0352 O12.0176 -","12","3","TK2156","Butcher, Ray J.; Jasinski, Jerry P.; Sarojini, B.K.; Yathirajan, H. S.; Bindya, S; Narayana, B.","1,5-Bis(4-fluorophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2007","63","7","o3213","o3214","10.1107/S1600536807026116","","","0.71073","MoKα","","","0.094","","","","0.275","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","208381","2020-10-21","18:00:00",""
"2214460","10.534","0.001","10.494","0.001","7.564","0.0008","90","","120.801","0.001","90","","718.21","0.12","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","","poly[aqua-μ~6~-malato-potassium(I)]","","- C4 H7 K O6 -","- C4 H7 K O6 -","- C16 H28 K4 O24 -","4","1","XU2280","Ou, Guang-Chuan; Ng, Seik Weng","A second <i>C</i>-centred monoclinic modification of racemic potassium hydrogen malate monohydrate","Acta Crystallographica Section E","2007","63","7","m2004","m2004","10.1107/S1600536807030619","","","0.71073","MoKα","","0.037","0.034","","","0.116","0.124","","","","","","1.187","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214489","24.037","0.003","5.9957","0.0004","9.3014","0.001","90","","91.673","0.009","90","","1339.9","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N'-Isopropylidene-6-methoxy-2-naphthohydrazide","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","AT2341","Sarojini, B. K.; Narayana, B.; Sunil, K.; Yathirajan, H. S.; Bolte, Michael","<i>N</i>'-Isopropylidene-6-methoxy-2-naphthohydrazide","Acta Crystallographica Section E","2007","63","8","o3551","o3551","10.1107/S1600536807034599","","","0.71073","MoKα","","0.0319","0.0312","","","0.0863","0.0869","","","","","","1.071","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214509","9.419","0.003","10.443","0.003","25.409","0.009","90","","97.262","0.005","90","","2479.2","1.4","293.15","","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Poly[tetra-μ~2-aqua-diaqua-μ~2~-chlorido-di-μ~2~-oxo-dioxo[μ~7~-N,N,N',N'- (propane-1,2-diyldinitrilo)tetraacetato]dimolybdenum(V)trisodium(I)]","","- C11 H26 Cl Mo2 N2 Na3 O18 -","- C11 H26 Cl Mo2 N2 Na3 O18 -","- C44 H104 Cl4 Mo8 N8 Na12 O72 -","4","1","BI2185","Zhen-Hua Dang; Jun Zhao; Yong-Jing Wang; Ya-Zhen Ye; Li Xu","Poly[tetra-μ~2~-aqua-diaqua-μ~2~-chlorido-di-μ~2~-oxo-dioxo[μ~7~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-(propane-1,2-diyldinitrilo)tetraacetato]dimolybdenum(V)trisodium(I)]","Acta Crystallographica Section E","2007","63","8","m2106","m2106","10.1107/S1600536807021769","","","0.71073","MoKα","","0.0415","0.0357","","","0.0577","0.0606","","","","","","1.068","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214513","14.8886","0.0008","13.891","0.0008","10.3902","0.0006","90","","130.426","0.005","90","","1635.8","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5,5-Dimethyl-3,4-di-<i>p</i>-tolylcyclopent-2-enone","","- C21 H22 O -","- C21 H22 O -","- C84 H88 O4 -","4","1","BI2205","Marjani, Katayoon; Sharifi Moghadam, Mahmood; Arazi, Omid; Mousavi, Mohsen","5,5-Dimethyl-3,4-di-<i>p</i>-tolylcyclopent-2-enone","Acta Crystallographica Section E","2007","63","8","o3519","o3519","10.1107/S1600536807034289","","","0.71073","MoKα","","0.0337","0.0329","","","0.0852","0.0865","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214619","21.952","0.001","7.3477","0.0003","17","0.0007","90","","104.61","0.002","90","","2653.4","0.2","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-4-(4-Methylstyryl)pyridine‒(E)-but-2-enedioic acid (2/1)","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","1","DN2213","Tian-Jia Bu; Bao Li; Li-Xin Wu","(<i>E</i>)-4-(4-Methylstyryl)pyridine‒(<i>E</i>)-but-2-enedioic acid (2/1)","Acta Crystallographica Section E","2007","63","8","o3466","o3466","10.1107/S1600536807033260","","","0.71073","MoKα","","0.062","0.0522","","","0.1315","0.1412","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214645","7.1597","0.001","16.533","0.003","8.7277","0.001","90","","101.364","0.011","90","","1012.9","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(11<i>SR</i>,13<i>RS</i>)-12-Oxa-9- azatetracyclo[7.4.1.0^2,7^.0^11,13^]tetradeca-2(7),3,5-trien-8-one","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","FL2141","Gallucci, Judith C.; Dura, Robert D.; Paquette, Leo A.","(11<i>SR</i>,13<i>RS</i>)-12-Oxa-9-azatetracyclo[7.4.1.0^2,7^.0^11,13^]tetradeca-2(7),3,5-trien-8-one","Acta Crystallographica Section E","2007","63","8","o3417","o3417","10.1107/S160053680703228X","","","0.71073","MoKα","","0.0429","0.038","","","0.0972","0.1051","","","","","","1.015","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2214688","14.035","0.0002","14.4517","0.0002","8.1372","0.0001","90","","102.193","0.001","90","","1613.23","0.04","293","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(1<i>H</i>-Indol-3-yl)-2'-(1<i>H</i>-indol-3-ylmethylene)acetohydrazide","","- C19 H16 N4 O -","- C19 H16 N4 O -","- C76 H64 N16 O4 -","4","1","HB2473","Ali, Hapipah M.; Nazzatush Shimar, Jamaludin; Ng, Seik Weng","2-(1<i>H</i>-Indol-3-yl)-2'-(1<i>H</i>-indol-3-ylmethylene)acetohydrazide","Acta Crystallographica Section E","2007","63","8","o3459","o3459","10.1107/S1600536807032655","","","0.71073","MoKα","","0.0368","0.0337","","","0.0902","0.0997","","","","","","1.171","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214760","21.1928","0.0016","9.6058","0.0006","8.302","0.0007","90","","106.696","0.006","90","","1618.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-acetonyl-4-(2,5-dimethyl-4H-\ 1,2,4-triazol-4-yl)-3-(2-thienylmethyl)-1H-1,2,4-triazol-5(4H)-one","","- C14 H16 N6 O2 S -","- C14 H16 N6 O2 S -","- C56 H64 N24 O8 S4 -","4","1","IS2184","Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Demirkan, Esra","1-Acetonyl-4-(2,5-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","2007","63","8","o3443","o3443","10.1107/S160053680703231X","","","0.71073","MoKα","","0.0353","0.0332","","","0.0955","0.0968","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214855","20.5388","0.0004","4.455","0.0001","16.5764","0.0005","90","","114.955","0.002","90","","1375.14","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","3-ethyl 1-methyl pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","SG2179","Hoong-Kun Fun; Suchada Chantrapromma; Yun Liu; Jian-Hua Xu","3-Ethyl 1-methyl pyrrolo[2,1-<i>a</i>]isoquinoline-1,3-dicarboxylate","Acta Crystallographica Section E","2007","63","8","o3434","o3434","10.1107/S1600536807032357","","","0.71073","MoKα","","0.0405","0.0375","","","0.0986","0.1008","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214892","14.558","0.003","14.87","0.003","16.711","0.003","90","","91.695","0.003","90","","3616","1.2","292","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","","8b,8c-Diphenyl-2,6-dioxa-3a,4a,7a,8a-tetraazaperhydrocyclopenta[def]fluorene- 4,8-dione","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C160 H144 N32 O32 -","8","2","WN2157","Meng Gao; Jing-Jing Sun","8b,8c-Diphenyl-2,6-dioxa-3a,4a,7a,8a-tetraazaperhydrocyclopenta[<i>def</i>]fluorene-4,8-dione","Acta Crystallographica Section E","2007","63","8","o3480","o3480","10.1107/S1600536807029467","","","0.71073","MoKα","","0.0793","0.0444","","","0.0691","0.0791","","","","","","0.801","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2214979","18.407","0.002","6.8231","0.001","25.2925","0.001","90","","99.4","0.02","90","","3133.9","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetraaquabis(4,4'-bipyridine)manganese(II) pyridine-2,6-dicarboxylate tetrahydrate","","- C27 H35 Mn N5 O12 -","- C27 H35 Mn N5 O12 -","- C108 H140 Mn4 N20 O48 -","4","1","BI2217","Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling","Tetraaquabis(4,4'-bipyridine)manganese(II) pyridine-2,6-dicarboxylate tetrahydrate","Acta Crystallographica Section E","2007","63","9","m2283","m2283","10.1107/S160053680703766X","","","0.71073","MoKα","","0.0377","0.0331","","","0.0868","0.0913","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215110","33.729","0.006","6.9503","0.0012","5.8487","0.001","90","","90.868","0.003","90","","1370.9","0.4","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","(2E)-1-(4-Bromophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C16 H13 Br O S -","- C16 H13 Br O S -","- C64 H52 Br4 O4 S4 -","4","1","GW2019","Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Narayana, B.; Mithun, A.","(2<i>E</i>)-1-(4-Bromophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2007","63","9","o3731","o3732","10.1107/S1600536807038147","","","0.71073","MoKα","","0.0374","0.0353","","","0.0774","0.0777","","","","","","1.533","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215178","11.266","0.002","9.711","0.001","15.024","0.002","90","","104.547","0.008","90","","1591","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-Amino-6-methylpyridinium Ferulate","2-Amino-6-methylpyridinium 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate monohydrate","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","IM2026","Si-Feng Ni; Wen-Jie Feng; Hui Guo; Zhi-Min Jin","2-Amino-6-methylpyridinium 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate monohydrate","Acta Crystallographica Section E","2007","63","9","o3866","o3866","10.1107/S160053680704038X","","","0.71073","MoKα","","0.0419","0.0329","","","0.072","0.0746","","","","","","0.977","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215236","28.125","0.011","3.8193","0.0015","12.281","0.005","90","","92.764","0.005","90","","1317.7","0.9","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","6-Chloro-2'-(2-hydroxybenzylidene)nicotinohydrazide monohydrate","","- C13 H12 Cl N3 O3 -","- C13 H12 Cl N3 O3 -","- C52 H48 Cl4 N12 O12 -","4","1","OM2148","De-Suo Yang","6-Chloro-2'-(2-hydroxybenzylidene)nicotinohydrazide monohydrate","Acta Crystallographica Section E","2007","63","9","o3738","o3738","10.1107/S1600536807038500","","","0.71073","MoKα","","0.0445","0.0364","","","0.0848","0.0913","","","","","","1.043","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2215369","9.3523","0.0011","19.615","0.003","17.4933","0.001","90","","105.39","0.012","90","","3094","0.6","293","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","Diiodido-2κ2I-bis(4-methylpyridine-1κN)-μ-{2,2'-[1,3-propanediylbis (nitrilomethylidyne)]diphenolato-1κ4O,N,N',O':2κ2O,O'}nickel(II)zinc(II)","","- C29 H30 I2 N4 Ni O2 Zn -","- C29 H30 I2 N4 Ni O2 Zn -","- C116 H120 I8 N16 Ni4 O8 Zn4 -","4","1","BT2490","Tatar Yıldırım, Leyla; Atakol, Orhan; Kavak, Gülten","Diiodido-2κ^2^<i>I</i>-bis(4-methylpyridine-1κ<i>N</i>)-μ-{2,2'-[1,3-propanediylbis(nitrilomethylidyne)]diphenolato-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^2^<i>O</i>,<i>O</i>'}nickel(II)zinc(II)","Acta Crystallographica Section E","2007","63","10","m2489","m2490","10.1107/S1600536807043061","","","0.71073","MoKα","","0.0784","0.0328","","","0.0644","0.0752","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215385","15.6005","0.0007","8.8031","0.0004","16.2518","0.0006","90","","117.777","0.002","90","","1974.72","0.15","183","2","183","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Phenylmethanethiolato)(1,5,9-triazacyclododecane)zinc(II) thiocyanate","","- C17 H28 N4 S2 Zn -","- C17 H28 N4 S2 Zn -","- C68 H112 N16 S8 Zn4 -","4","1","BT2510","Görls, Helmar; Johannes Notni; Anders, Ernst","(Phenylmethanethiolato)(1,5,9-triazacyclododecane)zinc(II) thiocyanate","Acta Crystallographica Section E","2007","63","10","m2556","m2556","10.1107/S1600536807045096","","","0.71073","MoKα","","0.0471","0.0356","","","0.071","0.0766","","","","","","1.008","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2215398","9.337","0.009","13.418","0.015","9.667","0.008","90","","116.04","0.07","90","","1088","2","295","","295","","","","","","","","","5","C 1 c 1","C -2yc","9","","Methyl (1<i>H</i>-benzimidazol-2-ylsulfanyl)acetate","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","CF2115","Bibila Mayaya Bisseyou, Yvon; Adohi-Krou, A.; Zoakouma, Roger S. P.; Yao-Kakou, R. C. A.; Ebby, N'dédé","Methyl (1<i>H</i>-benzimidazol-2-ylsulfanyl)acetate","Acta Crystallographica Section E","2007","63","10","o3987","o3987","10.1107/S1600536807042572","","","0.71073","MoKα","","0.0415","0.037","","0.0619","0.0593","0.0619","","","","","","0.9151","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215514","18.1827","0.0005","6.8537","0.001","25.1485","0.0005","90","","99.398","0.01","90","","3091.9","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetraaquabis(4,4'-bipyridine)cobalt(II) pyridine-2,6-dicarboxylate tetrahydrate","","- C27 H35 Co N5 O12 -","- C27 H35 Co N5 O12 -","- C108 H140 Co4 N20 O48 -","4","1","HB2544","Guan, Guizhi; Gao, Yuxiang; Wang, Lixia; Wang, Tao","Tetraaquabis(4,4'-bipyridine)cobalt(II) pyridine-2,6-dicarboxylate tetrahydrate","Acta Crystallographica Section E","2007","63","10","m2601","m2601","10.1107/S1600536807046107","","","0.71073","MoKα","","0.0475","0.043","","","0.1226","0.1293","","","","","","0.998","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215525","20.304","0.004","8.609","0.0017","17.364","0.004","90","","119.65","0.03","90","","2637.8","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Chloridotetrakis(1-ethyl-1H-imidazole-κN^3^)copper(II) chloride monohydrate","","- C20 H34 Cl2 Cu N8 O -","- C20 H34 Cl2 Cu N8 O -","- C80 H136 Cl8 Cu4 N32 O4 -","4","1","HG2282","Fa-Qian Liu; Wen-Li Liu; Wei Li; Rong-Xun Li; Guang-Ye Liu","Chloridotetrakis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) chloride monohydrate","Acta Crystallographica Section E","2007","63","10","m2454","m2454","10.1107/S1600536807041864","","","0.71073","MoKα","","0.0812","0.0563","","","0.1251","0.1403","","","","","","0.947","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215688","4.7748","0.0007","23.629","0.007","8.34","0.003","90","","103.94","0.03","90","","913.2","0.5","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","4-carbamoylpyridinium dihydrogen phosphate","","- C6 H9 N2 O5 P -","- C6 H9 N2 O5 P -","- C24 H36 N8 O20 P4 -","4","1","WN2188","Gholivand, Khodayar; Zare , Karim; Afshar, Farzaneh; Shariatinia, Zahra; Khavasi, Hamid Reza","4-Carbamoylpyridinium dihydrogen phosphate","Acta Crystallographica Section E","2007","63","10","o4027","o4027","10.1107/S1600536807042869","","","0.71073","MoKα","","","0.0242","","","","0.0855","","","","","","1.272","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215727","9.8103","0.0013","23.541","0.003","7.259","0.001","90","","130.756","0.009","90","","1269.9","0.3","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","3-(3-Methoxyanilino)isobenzofuran-1(3<i>H</i>)-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","AT2418","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(3-Methoxyanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2007","63","11","o4296","o4297","10.1107/S1600536807048714","","","0.71073","MoKα","","0.0267","0.0246","","","0.0624","0.0634","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215806","8.677","0.002","15.615","0.003","10.435","0.002","90","","111.29","0.02","90","","1317.4","0.5","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","Sulfamethoxazole chloride","4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium chloride","","- C10 H12 Cl N3 O3 S -","- C10 H12 Cl N3 O3 S -","- C40 H48 Cl4 N12 O12 S4 -","4","1","BT2536","Annamalai Subashini; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni","Hydrogen-bonding patterns in 4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium chloride","Acta Crystallographica Section E","2007","63","11","o4312","o4313","10.1107/S1600536807049446","","","0.71073","MoKα","","0.0728","0.0367","","","0.0626","0.0709","","","","","","0.897","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215992","19.357","0.003","9.213","0.0007","18.3269","0.0015","90","","114.382","0.01","90","","2976.9","0.6","294","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","Dibromido-2κ^2^Br-bis(4-methylpyridine-1κN){μ-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^O,N,N',O':2κ^2^O,O'}nickel(II)zinc(II)","","- C29 H30 Br2 N4 Ni O2 Zn -","- C29 H30 Br2 N4 Ni O2 Zn -","- C116 H120 Br8 N16 Ni4 O8 Zn4 -","4","1","HK2335","Tatar Yıldırım, Leyla; Atakol, Orhan","Dibromido-2κ^2^<i>Br</i>-bis(4-methylpyridine-1κ<i>N</i>){μ-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^2^<i>O</i>,<i>O</i>'}nickel(II)zinc(II)","Acta Crystallographica Section E","2007","63","11","m2676","m2677","10.1107/S1600536807048581","","","0.71073","MoKα","","0.1395","0.0656","","","0.1723","0.2062","","","","","","1.038","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216030","21.3691","0.0003","37.1989","0.0008","19.4382","0.0005","90","","120.368","0.001","90","","13331.5","0.5","150","2","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichloridobis(triphenylphosphine oxide)cobalt(II) methanol solvate","","- C36.125 H30.5 Cl2 Co O2.125 P2 -","- C36.125 H30.5 Cl2 Co O2.125 P2 -","- C578 H488 Cl32 Co16 O34 P32 -","16","4","KJ2068","Lancaster, Richard; Pritchard, Robin G.","Dichloridobis(triphenylphosphine oxide)cobalt(II) methanol 0.125-solvate, a lamellar structure","Acta Crystallographica Section E","2007","63","11","m2783","m2784","10.1107/S1600536807050726","","","0.71073","MoKα","","","0.0594","","","","0.1328","","","","","","1.068","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2216207","9.2494","0.0009","22.9431","0.0017","7.185","0.0006","90","","124.157","0.006","90","","1261.7","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","3-(2-Bromoanilino)phthalide","3-(2-Bromoanilino)isobenzofuran-1(3<i>H</i>)-one","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","AT2466","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(2-Bromoanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2007","63","12","o4668","o4668","10.1107/S1600536807056474","","","0.71073","MoKα","","0.029","0.0266","","","0.0571","0.0582","","","","","","1.114","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216352","10.101","0.005","10.631","0.006","15.831","0.007","90","","96.18","0.019","90","","1690.1","1.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","catena-Poly[[(6-aminonaphthalene-1-sulfonato-kO)silver(I)]-μ-2,3,5,6- tetramethylpyrazine-κ^2^N:N']","","- C18 H20 Ag N3 O3 S -","- C18 H20 Ag N3 O3 S -","- C72 H80 Ag4 N12 O12 S4 -","4","1","CI2480","Hai-Yan Liu; Ji-Cheng Ma; Ying-Ying Liu","<i>catena</i>-Poly[[(6-aminonaphthalene-1-sulfonato-κ<i>O</i>)silver(I)]-μ-2,3,5,6-tetramethylpyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2007","63","12","m3035","m3035","10.1107/S1600536807049550","","","0.71069","MoKα","","0.0209","0.0203","","","0.047","0.0472","","","","","","1.117","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216371","9.0031","0.0012","19.352","0.003","6.9742","0.0009","90","","126.596","0.009","90","","975.6","0.3","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","(1<i>Z</i>,2E)-2-(Hydroxyimino)-<i>N</i>-<i>p</i>-tolylacetamide oxime","","- C9 H11 N3 O2 -","- C9 H11 N3 O2 -","- C36 H44 N12 O8 -","4","1","CI2513","Özek, Arzu; Büyükgüngör, Orhan; Ilkimen, Halil; Yenikaya, Cengiz","(1<i>Z</i>,2<i>E</i>)-2-(Hydroxyimino)-<i>N</i>-<i>p</i>-tolylacetamide oxime","Acta Crystallographica Section E","2007","63","12","o4738","o4738","10.1107/S1600536807058163","","","0.71073","MoKα","","0.0334","0.0318","","","0.0811","0.082","","","","","","1.121","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217012","8.4254","0.0004","18.0692","0.0008","7.4187","0.0003","90","","114.412","0.001","90","","1028.45","0.08","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[[[triaquacopper(II)]-μ~2~-pyrazine-2,3-dicarboxylato] monohydrate]","","- C6 H10 Cu N2 O8 -","- C6 H10 Cu N2 O8 -","- C24 H40 Cu4 N8 O32 -","4","1","DN2285","Wei-Ping Wu; Feng-Chun Zeng; Yu Wu; Jian Peng","<i>catena</i>-Poly[[[triaquacopper(II)]-μ~2~-pyrazine-2,3-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2008","64","1","m61","m61","10.1107/S1600536807062800","","","0.71073","MoKα","","0.0365","0.0362","","","0.0889","0.0891","","","","","","1.109","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217112","11.3713","0.0007","23.2686","0.001","7.8405","0.0005","90","","105.994","0.001","90","","1994.2","0.2","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-(4-chlorophenyl)-2-(diisopropylamino)-1-benzofuro[3,2-d]pyrimidin-4(3H)-one","","- C22 H22 Cl N3 O2 -","- C22 H22 Cl N3 O2 -","- C88 H88 Cl4 N12 O8 -","4","1","HK2383","Quan-bin Liao; Gui-hua Li; Zheng-rong Zhu; Ming-guo Liu","3-(4-Chlorophenyl)-2-(diisopropylamino)-1-benzofuro[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2008","64","1","o13","o13","10.1107/S1600536807060412","","","0.71073","MoKα","","0.0641","0.0487","","","0.1115","0.1387","","","","","","1.136","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217317","34.554","0.01","5.459","0.002","8.875","0.003","90","","102.522","0.018","90","","1634.3","0.9","90","","90","","","","","","","","","4","C 1 c 1","C -2yc","9","3-Indolylethylbenzyldithiocarbamate","Benzyl N-[2-(1<i>H</i>-indol-3-yl)ethyl]dithiocarbamate","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C72 H72 N8 S8 -","4","1","SJ2455","Vembu, Nagarajan; Fronczek, Frank R.; Petit, Celine; Devocelle, Marc","Benzyl <i>N</i>-[2-(1<i>H</i>-indol-3-yl)ethyl]dithiocarbamate","Acta Crystallographica Section E","2008","64","1","o288","o289","10.1107/S1600536807066524","","","0.71073","MoKα","","0.0729","0.0382","","","0.0743","0.0829","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217420","11.09","0.004","11.14","0.002","51.061","0.003","90","","95.41","0.03","90","","6280","3","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","","3-(2-Pyridyl)-N-p-tolylindolizin-1-amine","","- C20 H17 N3 -","- C20 H17 N3 -","- C320 H272 N48 -","16","4","BQ2055","Fang-Fang Jian; Ming-Na Jiang; Xiao-Yan Ren; Li-Hua Huang","3-(2-Pyridyl)-<i>N</i>-<i>p</i>-tolylindolizin-1-amine","Acta Crystallographica Section E","2008","64","2","o386","o386","10.1107/S1600536807068481","","","0.71073","MoKα","","0.0962","0.0511","","","0.1142","0.1362","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217795","6.5307","0.0013","10.747","0.002","15.851","0.003","90","","93.54","0.03","90","","1110.4","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-(4-Hydroxyphenyldiazenyl)benzonitrile","","- C13 H9 N3 O -","- C13 H9 N3 O -","- C52 H36 N12 O4 -","4","1","KP2153","Zhang, Chao Zhi","4-(4-Hydroxyphenyldiazenyl)benzonitrile","Acta Crystallographica Section E","2008","64","3","o618","","10.1107/S1600536808004716","","","0.71073","MoKα","","0.1063","0.0534","","","0.1188","0.1447","","","","","","0.975","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217832","11.526","0.002","17.21","0.003","15.866","0.003","90","","90.52","0.03","90","","3147.1","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2-Benzyloxyphenyl)-1H-benzimidazole","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","SJ2464","Navarrete-Vázquez, Gabriel; Moreno-Diaz, Hermenegilda; Estrada-Soto, Samuel; Tlahuext, Hugo","2-(2-Benzyloxyphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2008","64","3","o608","","10.1107/S1600536808004510","","","0.71073","MoKα","","0.0504","0.0475","","","0.0986","0.1001","","","","","","1.166","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217866","11.3076","0.0017","15.474","0.002","11.354","0.0016","90","","97.063","0.012","90","","1971.6","0.5","120","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(2-Thienylcarbonyl)(triphenylphosphonio)methanide","","- C24 H19 O P S -","- C24 H19 O P S -","- C96 H76 O4 P4 S4 -","4","1","BQ2064","Sabounchei, Seyyed Javad; Jodaian, Vida; Khavasi, Hamid Reza","2-Thienylcarbonylmethylene‒triphenylphosphorane ylide","Acta Crystallographica Section E","2008","64","4","o647","","10.1107/S1600536808005497","","","0.71073","MoKα","","","0.0421","","","","0.1158","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217887","12.9265","0.0001","8.0644","0.0001","13.9893","0.0001","90","","106.163","0.001","90","","1400.67","0.02","100","0.1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Aminopyridinium (2-aminopyridine)trichloridonickelate(II)","","- C10 H13 Cl3 N4 Ni -","- C10 H13 Cl3 N4 Ni -","- C40 H52 Cl12 N16 Ni4 -","4","1","CI2566","Fun, Hoong-Kun; Franklin, S.; Jebas, Samuel Robinson; Balasubramanian, T.","2-Aminopyridinium (2-aminopyridine)trichloridonickelate(II)","Acta Crystallographica Section E","2008","64","4","m520","m521","10.1107/S1600536808005655","","","0.71073","MoKα","","","0.0349","","","","0.079","","","","","","1.046","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217943","9.2485","0.0008","22.7915","0.0013","7.1111","0.0006","90","","123.823","0.006","90","","1245.25","0.19","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","3-(2-chlorophenylamino)phthalide","3-(2-chloroanilino)isobenzofuran-1(3<i>H</i>)-one","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C56 H40 Cl4 N4 O8 -","4","1","HK2437","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(2-Chloroanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2008","64","4","o754","","10.1107/S160053680800771X","","","0.71073","MoKα","","0.0354","0.0292","","","0.0657","0.0673","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218073","9.5897","0.0002","36.8378","0.0011","22.7611","0.0005","90","","99.127","0.002","90","","7938.9","0.3","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","μ-4,4'-bipyridyl-1:2κ^2^<i>N</i>:<i>N</i>'-methanol-2κO-tetrakis(tri- <i>tert</i>-butoxysilanethiolato)-1κ^4^O,S;2κ^2^S-dizinc(II)","","- C59 H120 N2 O13 S4 Si4 Zn2 -","- C59 H120 N2 O13 S4 Si4 Zn2 -","- C236 H480 N8 O52 S16 Si16 Zn8 -","4","1","CI2570","Dołega, Anna; Baranowska, Katarzyna","μ-4,4'-Bipyridyl-1:2κ^2^<i>N</i>:<i>N</i>'-methanol-2κ<i>O</i>-tetrakis(tri-<i>tert</i>-butoxysilanethiolato)-1κ^4^<i>O</i>,<i>S</i>;2κ^2^<i>S</i>-dizinc(II)","Acta Crystallographica Section E","2008","64","5","m616","m617","10.1107/S1600536808008210","","","0.71073","MoKα","","0.0536","0.044","","","0.1206","0.1258","","","","","","1.185","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218226","6.678","0.003","21.73","0.009","17.831","0.007","90","","94.922","0.007","90","","2578","1.9","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Tris(5-methyl-3-phenyl-1H-pyrazol-1-yl)methane","","- C31 H28 N6 -","- C31 H28 N6 -","- C124 H112 N24 -","4","1","RK2085","Harding, David J.; Harding, Phimphaka; Plant, Sarah E.","Tris(5-methyl-3-phenyl-1<i>H</i>-pyrazol-1-yl)methane","Acta Crystallographica Section E","2008","64","5","o896","","10.1107/S1600536808010866","","","0.71073","MoKα","","0.0668","0.0407","","","0.0655","0.0708","","","","","","0.983","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218362","4.8711","0.0005","29.022","0.003","9.0356","0.0017","90","","97.223","0.002","90","","1267.2","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-4-[(2-Hydroxybenzylidene)amino]benzenesulfonic acid","","- C13 H11 N O4 S -","- C13 H11 N O4 S -","- C52 H44 N4 O16 S4 -","4","1","CI2596","Zhang, Xinli; Li, Zongxiao","(<i>E</i>)-4-[(2-Hydroxybenzylidene)amino]benzenesulfonic acid","Acta Crystallographica Section E","2008","64","6","o1159","","10.1107/S1600536808015407","","","0.71073","MoKα","","0.0617","0.0495","","","0.112","0.1207","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218416","5.0623","0.0015","18.361","0.006","9.115","0.002","90","","102.13","0.03","90","","828.3","0.4","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Chloro-<i>N</i>-phenylacetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","HB2728","Gowda, B. Thimme; Kožíšek, Jozef; Tokarčík, Miroslav; Fuess, Hartmut","2-Chloro-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2008","64","6","o987","","10.1107/S160053680801266X","","","0.71073","MoKα","","0.1496","0.0361","","","0.0661","0.0857","","","","","","0.958","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218503","11.3988","0.0004","34.8587","0.0013","8.7039","0.0003","90","","100.982","0.002","90","","3395.1","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Methyl 3-(4-bromophenyl)-2-(1<i>H</i>-indol-3-ylmethyl)-5-[1-(4-methoxyphenyl)- 4-oxo-2-phenylazetidin-2-yl]-4-nitropyrrolidine-2-carboxylate","","- C37 H33 Br N4 O6 -","- C37 H33 Br N4 O6 -","- C148 H132 Br4 N16 O24 -","4","1","RK2086","Nirmala, S.; Kamala, E. Theboral Sugi; Sudha, L.; Arumugam, N.; Raghunathan, R.","Methyl 3-(4-bromophenyl)-2-(1<i>H</i>-indol-3-ylmethyl)-5-[1-(4-methoxyphenyl)-4-oxo-2-phenylazetidin-2-yl]-4-nitropyrrolidine-2-carboxylate","Acta Crystallographica Section E","2008","64","6","o1095","o1096","10.1107/S1600536808014190","","","0.71073","MoKα","","0.0604","0.0399","","","0.1063","0.12","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218645","12.9708","0.0004","17.2485","0.0007","10.8428","0.0003","90","","119.26","0.001","90","","2116.32","0.12","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","Methyl 4-hydroxybenzoate","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C96 H96 O36 -","12","3","CI2607","Fun, Hoong-Kun; Jebas, Samuel Robinson","A second monoclinic polymorph of methyl 4-hydroxybenzoate","Acta Crystallographica Section E","2008","64","7","o1255","","10.1107/S1600536808017327","","","0.71073","MoKα","","0.0542","0.0425","","","0.1098","0.1163","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218705","4.741","0.0009","20.062","0.004","8.986","0.0018","90","","99.6","0.03","90","","842.7","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2-Chloro-<i>N</i>-(4-fluorophenyl)acetamide","","- C8 H7 Cl F N O -","- C8 H7 Cl F N O -","- C32 H28 Cl4 F4 N4 O4 -","4","1","HB2738","Kang, Si-shun; Zeng, Hai-su; Li, Hai-lin; Wang, Hai-bo","2-Chloro-<i>N</i>-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2008","64","7","o1194","","10.1107/S1600536808016152","","","0.71073","MoKα","","0.066","0.0462","","","0.1131","0.126","","","","","","1.001","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218917","9.487","0.002","25.666","0.006","6.9781","0.0015","90","","112.34","0.005","90","","1571.6","0.6","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(4-Chlorophenyl)-3,4,5-trimethoxybenzamide","","- C16 H16 Cl N O4 -","- C16 H16 Cl N O4 -","- C64 H64 Cl4 N4 O16 -","4","1","BT2747","Saeed, Aamer; Khera, Rasheed Ahmad; Batool, Mahira; Shaheen, Uzma; Flörke, Ulrich","<i>N</i>-(4-Chlorophenyl)-3,4,5-trimethoxybenzamide","Acta Crystallographica Section E","2008","64","8","o1625","","10.1107/S1600536808023234","","","0.71073","MoKα","","0.056","0.045","","","0.1007","0.1062","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218918","3.6222","0.0003","24.006","0.002","14.8965","0.0009","90","","93.524","0.005","90","","1292.87","0.17","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","2,3,4-Trihydroxybenzaldehyde","","- C7 H6 O4 -","- C7 H6 O4 -","- C56 H48 O32 -","8","2","BT2748","Ng, Seik Weng","2,3,4-Trihydroxybenzaldehyde","Acta Crystallographica Section E","2008","64","8","o1565","","10.1107/S1600536808022241","","","0.71073","MoKα","","0.0821","0.0537","","","0.1071","0.1317","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219251","29.1091","0.0004","5.7801","0.0001","7.6429","0.0001","90","","92.442","0.0001","90","","1284.78","0.03","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Disodium 4,4'-oxydibenzoate","","- C14 H8 Na2 O5 -","- C14 H8 Na2 O5 -","- C56 H32 Na8 O20 -","4","1","BT2752","Yang, Yuan; Li, Qi; Ng, Seik Weng","Disodium 4,4'-oxydibenzoate","Acta Crystallographica Section E","2008","64","9","m1119","","10.1107/S1600536808024331","","","0.71073","MoKα","","0.0423","0.0422","","","0.1348","0.135","","","","","","1.266","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219437","12.1137","0.0003","10.5012","0.0003","18.6689","0.0005","90","","107.882","0.003","90","","2260.11","0.11","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","3-(2-Chloro-6-fluorophenyl)-1-(2-thienyl)prop-2-en-1-one","","- C13 H8 Cl F O S -","- C13 H8 Cl F O S -","- C104 H64 Cl8 F8 O8 S8 -","8","2","SJ2529","Fun, Hoong-Kun; Chantrapromma, Suchada; Patil, P. S.; Dharmaprakash, S. M.","3-(2-Chloro-6-fluorophenyl)-1-(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","9","o1720","o1721","10.1107/S1600536808024872","","","0.71073","MoKα","","0.0751","0.0625","","","0.1602","0.1711","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219476","14.223","0.005","14.121","0.005","16.504","0.006","90","","105.987","0.006","90","","3187","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Perchlorato[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2- pyridylmethyl)cyclohexane-1,2-diamine]manganese(II) perchlorate","","- C30 H34 Cl2 Mn N6 O8 -","- C30 H34 Cl2 Mn N6 O8 -","- C120 H136 Cl8 Mn4 N24 O32 -","4","1","ZL2134","Hwang, In-Chul; Ha, Kwang","Perchlorato[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)cyclohexane-1,2-diamine]manganese(II) perchlorate","Acta Crystallographica Section E","2008","64","9","m1178","","10.1107/S1600536808025804","","","0.71073","MoKα","","0.0474","0.0389","","","0.0885","0.0928","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219536","12.9487","0.0009","25.2882","0.0018","8.9701","0.0006","90","","132.93","0.001","90","","2150.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Bromoacetyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one","","- C23 H26 Br N O4 -","- C23 H26 Br N O4 -","- C92 H104 Br4 N4 O16 -","4","1","CI2672","Ramachandran, R.; Aridoss, G.; Velmurugan, D.; Kabilan, S.; Jeong, Y. T.","1-Bromoacetyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one","Acta Crystallographica Section E","2008","64","10","o2009","o2010","10.1107/S1600536808030213","","","0.71073","MoKα","","0.0552","0.0329","","","0.0814","0.0978","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219585","8.513","0.003","17.983","0.003","7.493","0.003","90","","114.486","0.01","90","","1043.9","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[[triaquacopper(II)]-μ-pyridine-2,3-dicarboxylato- κ^3^N,O^2^:O^3^] monohydrate]","","- C7 H11 Cu N O8 -","- C7 H11 Cu N O8 -","- C28 H44 Cu4 N4 O32 -","4","1","HB2747","Hao, Lujiang; Mu, Chunhua; Kong, Binbin","<i>catena</i>-Poly[[[triaquacopper(II)]-μ-pyridine-2,3-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^] monohydrate]","Acta Crystallographica Section E","2008","64","10","m1229","","10.1107/S1600536808025439","","","0.71073","MoKα","","0.0299","0.0297","","","0.0893","0.0894","","","","","","1","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2219628","4.902","0.003","28.58","0.02","25.06","0.02","90","","92.049","0.008","90","","3509","4","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","Dibenzo-18-crown-6","6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecene","","- C20 H24 O6 -","- C20 H24 O6 -","- C160 H192 O48 -","8","2","IM2081","Lima, Geraldo M. de; Wardell, James L.; Harrison, William T. A.","Dibenzo-18-crown-6","Acta Crystallographica Section E","2008","64","10","o2001","","10.1107/S1600536808030250","","","0.6946","synchrotron","","0.1105","0.0983","","","0.2862","0.2944","","","","","","1.146","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219837","9.5779","0.0008","12.6191","0.0011","9.2095","0.0008","90","","113.511","0.001","90","","1020.7","0.15","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-(But-2-enylidene)isonicotinohydrazide","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","1","DN2392","Yin, Zhi-Gang; Li, Shu-Mian; Qian, Heng-Yu; Chen, Yu-Zhen","<i>N</i>'-(But-2-enylidene)isonicotinohydrazide","Acta Crystallographica Section E","2008","64","11","o2150","","10.1107/S1600536808033266","","","0.71073","MoKα","","0.035","0.0342","","","0.1001","0.1013","","","","","","1.075","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219851","13.269","0.002","53.686","0.006","9.3921","0.0012","90","","134.21","0.01","90","","4795.7","1.4","299","2","299","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-(3-Methylphenyl)benzamide","","- C14 H13 N O -","- C14 H13 N O -","- C224 H208 N16 O16 -","16","4","GK2174","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","<i>N</i>-(3-Methylphenyl)benzamide","Acta Crystallographica Section E","2008","64","11","o2247","","10.1107/S1600536808035186","","","1.5418","CuKα","","0.0632","0.0435","","","0.1153","0.1287","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219852","18.184","0.004","16.304","0.003","7.9998","0.0016","90","","108.9","0.03","90","","2243.8","0.9","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)biphenyl-2,2'-dicarboxamide","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C112 H96 N8 O16 -","4","1","GW2044","Wang, Gui-Yu; Li, Di; Qin, Da-Bin; Luo, Jie-Wei; Guo, Li-Hui","<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)biphenyl-2,2'-dicarboxamide","Acta Crystallographica Section E","2008","64","11","o2104","","10.1107/S1600536808032352","","","0.71073","MoKα","","0.0417","0.0385","","","0.0909","0.0929","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219865","12.2059","0.0014","13.1531","0.0016","8.9937","0.0011","90","","96.617","0.002","90","","1434.3","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Aminopyridinium 4-methylbenzoate dihydrate","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","HB2811","Liu, Yun; Li, Jie","2-Aminopyridinium 4-methylbenzoate dihydrate","Acta Crystallographica Section E","2008","64","11","o2057","","10.1107/S160053680803153X","","","0.71073","MoKα","","0.037","0.0324","","","0.0859","0.0891","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219982","11.724","0.002","13.482","0.003","9.4259","0.0019","90","","97.199","0.003","90","","1478.1","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-<i>N</i>'-(2-Chloro-5-nitrobenzylidene)-4-methoxybenzohydrazide","","- C15 H12 Cl N3 O4 -","- C15 H12 Cl N3 O4 -","- C60 H48 Cl4 N12 O16 -","4","1","RZ2255","Ban, Hong-Yan; Li, Cong-Ming","(<i>E</i>)-<i>N</i>'-(2-Chloro-5-nitrobenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2008","64","11","o2177","","10.1107/S1600536808034107","","","0.71073","MoKα","","0.0436","0.0352","","","0.0836","0.0895","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219998","28.128","0.004","11.013","0.001","8.052","0.001","90","","102.29","0.002","90","","2437.1","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Bromo-2,4,6-trimethyl-3-methylsulfinyl-1-benzofuran","","- C12 H13 Br O2 S -","- C12 H13 Br O2 S -","- C96 H104 Br8 O16 S8 -","8","2","SJ2545","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Bromo-2,4,6-trimethyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2008","64","11","o2117","","10.1107/S1600536808032467","","","0.71073","MoKα","","0.0519","0.0424","","","0.1009","0.1122","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2220017","18.0046","0.0006","4.6436","0.0001","12.2842","0.0004","90","","106.695","0.002","90","","983.74","0.05","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone","","- C9 H11 N3 O2 S -","- C9 H11 N3 O2 S -","- C36 H44 N12 O8 S4 -","4","1","TK2316","Tan, Kong Wai; Ng, Chew Hee; Maah, Mohd. Jamil; Ng, Seik Weng","2,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone","Acta Crystallographica Section E","2008","64","11","o2224","","10.1107/S1600536808033308","","","0.71073","MoKα","","0.047","0.038","","","0.089","0.109","","","","","","1.11","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220299","16.622","0.003","18.307","0.004","10.094","0.002","90","","112.78","0.03","90","","2832","1.2","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","[<i>O</i>-Ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>](tri-<i>p</i>- tolylphosphine-κ<i>P</i>)gold(I)","","- C30 H30 Au N2 O3 P S -","- C30 H30 Au N2 O3 P S -","- C120 H120 Au4 N8 O12 P4 S4 -","4","1","NG2516","Broker, Grant A.; Tiekink, Edward R. T.","[<i>O</i>-Ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>](tri-<i>p</i>-tolylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section E","2008","64","12","m1582","","10.1107/S1600536808038257","","","0.7107","MoKα","","0.051","0.048","","","0.097","0.099","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220465","9.6667","0.0018","19.965","0.004","19.035","0.004","90","","99.322","0.007","90","","3625.2","1.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","[8-(Diphenylphosphanyl)naphthyl- κ^2^<i>C</i>^1^,<i>P</i>](phenylethynyl)tris(trimethylphosphane-κP)iron(II)","","- C39 H48 Fe P4 -","- C39 H48 Fe P4 -","- C156 H192 Fe4 P16 -","4","1","CV2474","Beck, Robert; Sun, Hongjian; Guan, Dexin; Li, Xiaoyan","[8-(Diphenylphosphanyl)naphthyl-κ^2^<i>C</i>^1^,<i>P</i>](phenylethynyl)tris(trimethylphosphane-κ<i>P</i>)iron(II)","Acta Crystallographica Section E","2009","65","1","m71","","10.1107/S1600536808041421","","","0.71073","MoKα","","0.06","0.0429","","","0.0903","0.098","","","","","","0.998","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220529","19.835","0.007","16.247","0.007","12.231","0.005","90","","111.624","0.01","90","","3664","3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Piperidinium bis(2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)borate","","- C19 H20 B N O6 -","- C19 H20 B N O6 -","- C152 H160 B8 N8 O48 -","8","2","HK2548","Tang, Zhi-Hua; Huang, Chaojun","Piperidinium bis(2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)borate","Acta Crystallographica Section E","2009","65","1","o171","","10.1107/S1600536808042608","","","0.71073","MoKα","","0.1105","0.0636","","","0.1659","0.2026","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220610","16.75","0.0019","12.0274","0.0012","22.561","0.002","90","","110.054","0.002","90","","4269.5","0.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(nitrato-κO)tetraphenylantimony(V)","","- C24 H20 N O3 Sb -","- C24 H20 N O3 Sb -","- C192 H160 N8 O24 Sb8 -","8","2","RZ2272","Quan, Li; Yin, Handong; Wang, Daqi","A monoclinic polymorph of (nitrato-κ<i>O</i>)tetraphenylantimony(V)","Acta Crystallographica Section E","2009","65","1","m23","","10.1107/S1600536808040816","","","0.71073","MoKα","","0.0371","0.0304","","","0.0531","0.0559","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220667","6.8859","0.0003","30.809","0.0014","18.8611","0.0009","90","","96.102","0.003","90","","3978.7","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","<i>N,N</i>-Bis(3-methoxy-2-hydroxybenzylidene)-2,2-dimethyl propane-1,3-diamine","6,6'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenol","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C168 H208 N16 O32 -","8","2","ZL2157","Yeap, Chin Sing; Kargar, Hadi; Kia, Reza; Fun, Hoong-Kun","6,6'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2009","65","1","o20","o21","10.1107/S1600536808038002","","","0.71073","MoKα","","0.0767","0.0704","","","0.1972","0.2018","","","","","","1.069","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220842","6.1808","0.0003","17.9502","0.0008","13.7079","0.0006","90","","100.239","0.004","90","","1496.63","0.12","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","N,N bis(2-pyridylmethyltert-butylamine","<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl)-<i>tert</i>-butylamine","","- C16 H21 N3 -","- C16 H21 N3 -","- C64 H84 N12 -","4","1","IS2355","Mambanda, Allen; Jaganyi, Deogratius; Stewart, Kirsty","<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl)-<i>tert</i>-butylamine","Acta Crystallographica Section E","2009","65","2","o402","","10.1107/S1600536809001366","","","0.71073","MoKα","","0.0511","0.0427","","","0.1146","0.1194","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220844","18.492","0.003","10.1039","0.0017","16.097","0.003","90","","121.234","0.002","90","","2571.7","0.8","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","2,6-Bis(2-hydroxy-2,2-diphenylethyl)pyridine","(Pyridine-2,6-diyldimethylene)bis(diphenylmethanol)","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","1","IS2375","Gu, Wei-Jin; Wang, Bing-Xiang","(Pyridine-2,6-diyldimethylene)bis(diphenylmethanol)","Acta Crystallographica Section E","2009","65","2","o233","","10.1107/S1600536808043572","","","0.71073","MoKα","","0.0581","0.0543","","","0.1251","0.1269","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220881","10.3712","0.0004","10.9937","0.0005","17.9027","0.0008","90","","92.442","0.003","90","","2039.37","0.15","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","(<i>E</i>)-4-[4-(Dimethylamino)styryl]-1-methylpyridinium 4-bromobenzenesulfonate","","- C22 H23 Br N2 O3 S -","- C22 H23 Br N2 O3 S -","- C88 H92 Br4 N8 O12 S4 -","4","1","PK2136","Chantrapromma, Suchada; Jansrisewangwong, Patcharaporn; Musor, Rusmeenee; Fun, Hoong-Kun","(<i>E</i>)-4-[4-(Dimethylamino)styryl]-1-methylpyridinium 4-bromobenzenesulfonate","Acta Crystallographica Section E","2009","65","2","o217","o218","10.1107/S1600536808043547","","","0.71073","MoKα","","0.0749","0.046","","","0.0878","0.0968","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221134","34.958","0.004","9.1736","0.0011","24.153","0.003","90","","126.874","0.001","90","","6196.2","1.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(perchlorato-κ<i>O</i>)tetrakis[1-(2-pyridyl)-4-(4-pyridylmethyl- κ<i>N</i>)piperazine]cadmium(II)","","- C60 H72 Cd Cl2 N16 O8 -","- C60 H72 Cd Cl2 N16 O8 -","- C240 H288 Cd4 Cl8 N64 O32 -","4","1","LH2771","Farnum, Gregory A.; LaDuca, Robert L.","Bis(perchlorato-κ<i>O</i>)tetrakis[1-(2-pyridyl)-4-(4-pyridylmethyl-κ<i>N</i>)piperazine]cadmium(II)","Acta Crystallographica Section E","2009","65","3","m274","","10.1107/S1600536809004437","","","0.71073","MoKα","","0.0582","0.0406","","","0.0782","0.0835","","","","","","0.977","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2221164","30.1194","0.0012","5.565","0.0002","9.3048","0.0005","90","","98.276","0.002","90","","1543.38","0.12","90","0.2","90","0.2","","","","","","","","3","C 1 c 1","C -2yc","9","","<i>cis</i>-2,6-Dibenzylcyclohexanone","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","1","PV2137","Culver, John P.; Parkin, Sean; Crooks, Peter A.","<i>cis</i>-2,6-Dibenzylcyclohexanone","Acta Crystallographica Section E","2009","65","3","o551","","10.1107/S1600536809004887","","","0.71073","MoKα","","0.0408","0.0338","","","0.0777","0.0812","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221187","9.8737","0.0002","22.5282","0.0004","9.2288","0.0002","90","","118.987","0.001","90","","1795.67","0.06","115","2","115","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-Methyl-2,4,6-triphenyl-4<i>H</i>-thiopyran","","- C24 H20 S -","- C24 H20 S -","- C96 H80 S4 -","4","1","SJ2578","Rahmani, Hossein; Pirelahi, Hooshang; Ng, Seik Weng","4-Methyl-2,4,6-triphenyl-4<i>H</i>-thiopyran","Acta Crystallographica Section E","2009","65","3","o603","","10.1107/S1600536809005911","","","0.71073","MoKα","","0.0312","0.0288","","","0.0702","0.072","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221247","5.1134","0.0001","16.402","0.0004","10.1712","0.0002","90","","94.293","0.001","90","","850.66","0.03","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","2-<i>p</i>-Tolyl-4,5-dihydro-1H-imidazole","2-<i>p</i>-Tolyl-4,5-dihydro-1<i>H</i>-imidazole","","- C10 H12 N2 -","- C10 H12 N2 -","- C40 H48 N8 -","4","1","AT2738","Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi","2-<i>p</i>-Tolyl-4,5-dihydro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2009","65","4","o724","","10.1107/S1600536809008125","","","0.71073","MoKα","","0.0391","0.0368","","","0.0997","0.1021","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221317","18.376","0.002","5.3386","0.001","12.9435","0.0015","90","","102.241","0.002","90","","1240.9","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","CV2521","Liu, Deyun","<i>N</i>'-Cyclohexylidene-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2009","65","4","o691","","10.1107/S1600536809007636","","","0.71073","MoKα","","0.0581","0.0465","","","0.1265","0.1377","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221423","19.6899","0.0007","3.6479","0.0001","11.6337","0.0003","90","","102.923","0.002","90","","814.45","0.04","298","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[μ-chlorido-[μ~4~-5-(4-pyridyl)tetrazolato]dicopper(I)]","","- C6 H4 Cl Cu2 N5 -","- C6 H4 Cl Cu2 N5 -","- C24 H16 Cl4 Cu8 N20 -","4","1","LH2752","Wang, Cun-Kuan; Li, Xiao-Yan","Poly[μ-chlorido-[μ~4~-5-(4-pyridyl)tetrazolato]dicopper(I)]","Acta Crystallographica Section E","2009","65","4","m363","","10.1107/S1600536809006564","","","0.71073","MoKα","","0.0361","0.0274","","","0.0659","0.0915","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221483","10.883","0.001","12.863","0.002","10.95","0.001","90","","96.027","0.003","90","","1524.4","0.3","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H12 Br Cl N2 O3 -","- C15 H12 Br Cl N2 O3 -","- C60 H48 Br4 Cl4 N8 O12 -","4","1","RZ2301","Hou, Jin-Long","<i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2009","65","4","o851","","10.1107/S1600536809010198","","","0.71073","MoKα","","0.0456","0.0326","","","0.0581","0.0615","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221569","13.7835","0.0005","14.646","0.0004","8.8713","0.0002","90","","99.551","0.001","90","","1766.05","0.09","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 3-amino-1-phenyl-1<i>H</i>-benzo[<i>f</i>]chromene-2-carboxylate","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","ZL2186","Jiao, Yuan-Hong; Zhang, Qian; Meng, Fa-Yan; Teng, Lei; Yuan, Jia; Ng, Seik Weng","Ethyl 3-amino-1-phenyl-1<i>H</i>-benzo[<i>f</i>]chromene-2-carboxylate","Acta Crystallographica Section E","2009","65","4","o775","","10.1107/S1600536809008885","","","0.71073","MoKα","","0.0311","0.0296","","","0.0753","0.078","","","","","","1.09","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221619","11.548","0.002","11.759","0.002","18.719","0.004","90","","91.79","0.03","90","","2540.7","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(terephthalato-\ κ<i>O</i>)zinc(II)","","- C23 H28 N6 O4 Zn -","- C23 H28 N6 O4 Zn -","- C92 H112 N24 O16 Zn4 -","4","1","CI2775","Xie, Quan-An; Dong, Gui-Ying; Yu, Ya-Mei; Wang, Yong-Gang","Tris(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(terephthalato-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2009","65","5","m576","","10.1107/S1600536809014755","","","0.71073","MoKα","","0.133","0.0727","","","0.0981","0.1137","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221630","22.604","0.005","5.2048","0.001","17.801","0.004","90","","90.65","0.03","90","","2094.1","0.8","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Methyl 2,3-(3,6,9-trioxaundecane-1,11-diyldithio)-1,4,5,8- tetrathiafulvalene-6-carboxylate","","- C16 H20 O5 S6 -","- C16 H20 O5 S6 -","- C64 H80 O20 S24 -","4","1","CV2536","Hou, Rui-bin; Li, Bao; Yin, Bing-zhu; Wu, Li-xin","Methyl 2,3-(3,6,9-trioxaundecane-1,11-diyldithio)-1,4,5,8-tetrathiafulvalene-6-carboxylate","Acta Crystallographica Section E","2009","65","5","o1057","","10.1107/S1600536809013154","","","0.71073","MoKα","","0.0783","0.0599","","","0.147","0.172","","","","","","0.964","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221694","20.838","0.001","6.2769","0.0003","14.7897","0.0007","90","","116.676","0.001","90","","1728.56","0.14","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H19 N3 O5 S -","- C16 H19 N3 O5 S -","- C64 H76 N12 O20 S4 -","4","1","HB2950","Arfan, Mohammad; Tahir, M. Nawaz; Khan, Rasool; Iqbal, Mohammad S.","3-Amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium <i>p</i>-toluenesulfonate monohydrate","Acta Crystallographica Section E","2009","65","5","o1051","","10.1107/S1600536809013841","","","0.71073","MoKα","","0.0393","0.0335","","","0.0864","0.0906","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221736","6.707","0.003","25.95","0.01","9.48","0.005","90","","103.398","0.007","90","","1605.1","1.3","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-(2-Aminophenyl)-2-anilinobenzamide","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","IM2107","Huang, Kun; Huang, Feng; Qin, Da-Bin","<i>N</i>-(2-Aminophenyl)-2-anilinobenzamide","Acta Crystallographica Section E","2009","65","5","o1108","","10.1107/S1600536809013014","","","0.71073","MoKα","","0.0387","0.0348","","","0.0696","0.072","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221842","11.871","0.002","19.84","0.004","7.1983","0.0013","90","","124.488","0.003","90","","1397.4","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl 3-bromobenzoate","","- C13 H12 Br N3 O4 -","- C13 H12 Br N3 O4 -","- C52 H48 Br4 N12 O16 -","4","1","TK2425","Bahadur, Sher; Anis, Itrat; Shah, Muhammad Raza; Singh, Kuldip","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl 3-bromobenzoate","Acta Crystallographica Section E","2009","65","5","o1176","","10.1107/S1600536809015499","","","0.71073","MoKα","","0.101","0.061","","","0.106","0.119","","","","","","0.86","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222146","27.511","0.003","6.845","0.002","8.543","0.002","90","","104.263","0.002","90","","1559.2","0.6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-[(2-Anilinoethyl)iminiomethyl]-2-naphtholate","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","SJ2625","Hao, Yu-Mei","1-[(2-Anilinoethyl)iminiomethyl]-2-naphtholate","Acta Crystallographica Section E","2009","65","6","o1400","","10.1107/S1600536809019096","","","0.71073","MoKα","","0.0548","0.038","","","0.0927","0.1048","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222187","9.4313","0.0001","32.193","0.0004","10.8435","0.0001","90","","115.742","0.001","90","","2965.59","0.06","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","triphenylphosphine oxide hemihydrate","","- C18 H16 O1.5 P -","- C18 H16 O1.5 P -","- C144 H128 O12 P8 -","8","2","XU2526","Ng, Seik Weng","A second monoclinic modification of triphenylphosphine oxide hemihydrate","Acta Crystallographica Section E","2009","65","6","o1431","","10.1107/S1600536809019254","","","0.71073","MoKα","","0.0263","0.0256","","","0.0648","0.0652","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222213","11.167","0.0012","30.992","0.003","8.0562","0.001","90","","106.999","0.002","90","","2666.3","0.5","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2'-[1,1'-(Heptane-1,7-diyldioxydinitrilo)diethylidyne]di-1-naphthol","","- C31 H34 N2 O4 -","- C31 H34 N2 O4 -","- C124 H136 N8 O16 -","4","1","AT2813","Dong, Wen-Kui; Wu, Jian-Chao; Sun, Yin-Xia; Tong, Jun-Feng; Gong, Shang-Sheng","2,2'-[1,1'-(Heptane-1,7-diyldioxydinitrilo)diethylidyne]di-1-naphthol","Acta Crystallographica Section E","2009","65","7","o1627","","10.1107/S1600536809022727","","","0.71073","MoKα","","0.1092","0.0436","","","0.0878","0.1204","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222226","14.15","0.006","9.285","0.005","8.108","0.004","90","","118.54","0.016","90","","935.8","0.8","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl (<i>E</i>)-2-(2-furylidene)hydrazinecarboxylate","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","1","BG2272","Lv, Lu-Ping; Li, Wei-Wei; Yu, Tie-Ming; Yu, Wen-Bo; Hu, Xian-Chao","Ethyl (<i>E</i>)-2-(2-furylidene)hydrazinecarboxylate","Acta Crystallographica Section E","2009","65","7","o1678","","10.1107/S1600536809023654","","","0.71073","MoKα","","0.0323","0.0277","","","0.0677","0.0706","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222265","13.3461","0.0005","66.777","0.003","15.0195","0.0006","90","","99.632","0.002","90","","13196.9","0.9","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-(But-3-enylamino)-3-nitrobenzoic acid","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C528 H576 N96 O192 -","48","12","CI2814","Narendra Babu, Shivanagere Nagojappa; Abdul Rahim, Aisyah Saad; Osman, Hasnah; Jebas, Samuel Robinson; Fun, Hoong-Kun","4-(But-3-enylamino)-3-nitrobenzoic acid","Acta Crystallographica Section E","2009","65","7","o1560","o1561","10.1107/S1600536809021692","","","0.71073","MoKα","","0.098","0.0784","","","0.1983","0.213","","","","","","1.077","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222267","11.4348","0.0013","14.8717","0.0018","6.3508","0.0008","90","","98.538","0.004","90","","1068","0.2","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-Methyl <i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazinecarboxylate","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","1","CI2816","Lv, Lu-Ping; Yu, Wen-Bo; Li, Wei-Wei; Zhang, Yong-Zhao; Hu, Xian-Chao","(<i>E</i>)-Methyl <i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazinecarboxylate","Acta Crystallographica Section E","2009","65","7","o1548","","10.1107/S1600536809021631","","","0.71073","MoKα","","0.0327","0.0285","","","0.0719","0.0748","","","","","","1.11","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222321","23.586","0.002","4.8268","0.0006","17.8854","0.00018","90","","120.809","0.002","90","","1748.8","0.3","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[5-Chloro-2-hydroxy-<i>N</i>'-(2- oxidobenzylidene)benzohydrazidato]pyridinecopper(II)","","- C19 H14 Cl Cu N3 O3 -","- C19 H14 Cl Cu N3 O3 -","- C76 H56 Cl4 Cu4 N12 O12 -","4","1","HB2989","Li, Piyong; Li, Dacheng; Shi, Xuefeng","[5-Chloro-2-hydroxy-<i>N</i>'-(2-oxidobenzylidene)benzohydrazidato]pyridinecopper(II)","Acta Crystallographica Section E","2009","65","7","m738","","10.1107/S1600536809020546","","","0.71073","MoKα","","0.0525","0.0402","","","0.1065","0.1163","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222328","10.886","0.001","12.956","0.002","10.965","0.002","90","","96.476","0.003","90","","1536.6","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-<i>N</i>'-(3,5-Dibromo-2-hydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H12 Br2 N2 O3 -","- C15 H12 Br2 N2 O3 -","- C60 H48 Br8 N8 O12 -","4","1","HB5004","Cao, Guo-Biao; Lu, Xu-Hui","(<i>E</i>)-<i>N</i>'-(3,5-Dibromo-2-hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2009","65","7","o1587","","10.1107/S1600536809022168","","","0.71073","MoKα","","0.0476","0.0426","","","0.1198","0.1247","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222423","11.167","0.003","11.15","0.003","30.909","0.01","90","","96.97","0.012","90","","3820.1","1.9","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-4-(8- quinolyloxy)butanohydrazide monohydrate","","- C20 H20 Cl N3 O4 -","- C20 H20 Cl N3 O4 -","- C160 H160 Cl8 N24 O32 -","8","2","PK2173","Zhang, Jian; XiaHou, Guo-Lun; Zhang, Sheng-Sen; Zeng, Jing","(<i>E</i>)-<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-4-(8-quinolyloxy)butanohydrazide monohydrate","Acta Crystallographica Section E","2009","65","7","o1695","o1696","10.1107/S1600536809023733","","","0.71073","MoKα","","0.1196","0.0791","","","0.1754","0.1983","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222485","22.517","0.004","6.0405","0.0009","9.6332","0.0017","90","","104.838","0.009","90","","1266.6","0.4","92","2","92","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2,4-Dichloro-<i>N</i>-<i>o</i>-tolylbenzamide","","- C14 H11 Cl2 N O -","- C14 H11 Cl2 N O -","- C56 H44 Cl8 N4 O4 -","4","1","TK2478","Saeed, Aamer; Khera, Rasheed Ahmad; Simpson, Jim; Stanley, Roderick G.","2,4-Dichloro-<i>N</i>-<i>o</i>-tolylbenzamide","Acta Crystallographica Section E","2009","65","7","o1642","","10.1107/S1600536809022752","","","0.71073","MoKα","","0.062","0.057","","","0.154","0.158","","","","","","1.15","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222519","16.548","0.005","19.639","0.004","8.015","0.005","90","","99.619","0.005","90","","2568.1","1.9","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","<i>N</i>-(2-Methylphenyl)-6-(1<i>H</i>-pyrazol-1-yl)pyridazin-3-amine","","- C14 H13 N5 -","- C14 H13 N5 -","- C112 H104 N40 -","8","2","ZL2217","Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof","<i>N</i>-(2-Methylphenyl)-6-(1<i>H</i>-pyrazol-1-yl)pyridazin-3-amine","Acta Crystallographica Section E","2009","65","7","o1628","","10.1107/S1600536809022867","","","0.71073","MoKα","","0.1306","0.0625","","","0.137","0.1674","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222871","15.476","0.005","5.9927","0.0019","15.413","0.007","90","","116.127","0.003","90","","1283.4","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-3-(2-Hydroxy-3-methoxybenzylideneamino)benzonitrile","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","RZ2356","Zhou, Jian-Cheng; Zhang, Chuan-Ming; Zhang, Zheng-Yun; Li, Nai-Xu","(<i>E</i>)-3-(2-Hydroxy-3-methoxybenzylideneamino)benzonitrile","Acta Crystallographica Section E","2009","65","8","o2017","","10.1107/S1600536809029225","","","0.71073","MoKα","","0.0651","0.0416","","","0.1078","0.1241","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222872","22.262","0.003","5.6452","0.0006","9.6743","0.0012","90","","105.832","0.002","90","","1169.7","0.2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2-Chloro-4-fluoro-<i>N</i>-phenylbenzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C52 H36 Cl4 F4 N4 O4 -","4","1","SI2182","Tan, Zhengde; Bing, Yi; Fang, Shen; Kai, Zhao; Yan, Yang","2-Chloro-4-fluoro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2009","65","8","o1757","","10.1107/S1600536809024787","","","0.71073","MoKα","","0.0379","0.0315","","","0.0749","0.0786","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222994","6.955","0.001","14.848","0.003","7.751","0.001","90","","91.51","0.01","90","","800.2","0.2","299","2","299","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2-Chlorobenzenesulfonamide","","- C6 H6 Cl N O2 S -","- C6 H6 Cl N O2 S -","- C24 H24 Cl4 N4 O8 S4 -","4","1","BT5028","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.; Fuess, Hartmut","2-Chlorobenzenesulfonamide","Acta Crystallographica Section E","2009","65","9","o2144","","10.1107/S1600536809031511","","","0.71073","MoKα","","0.023","0.0224","","","0.0595","0.0599","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223100","17.4363","0.0003","16.9143","0.0003","7.9639","0.0001","90","","115.326","0.001","90","","2123","0.06","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-(2-Furylmethylene)nicotinohydrazide","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C88 H72 N24 O16 -","8","2","HG2558","Qian, Heng-yu; Yin, Zhi-gang; Zhang, Chun-xia; Yao, Zhi-qiang","<i>N</i>'-(2-Furylmethylene)nicotinohydrazide","Acta Crystallographica Section E","2009","65","9","o2260","","10.1107/S1600536809033698","","","0.71073","MoKα","","0.049","0.0346","","","0.0793","0.086","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223101","16.929","0.002","5.1001","0.0006","13.8","0.002","90","","106.962","0.002","90","","1139.7","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Bromo-2,7-dimethyl-3-methylsulfinyl-1-benzofuran","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C44 H44 Br4 O8 S4 -","4","1","HG2560","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-Bromo-2,7-dimethyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2009","65","9","o2302","","10.1107/S1600536809034011","","","0.71073","MoKα","","0.0417","0.0403","","","0.1005","0.1016","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223163","4.918","0.003","25.642","0.007","10.573","0.004","90","","95.8","0.03","90","","1326.5","1","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>n</i>-Butyl 2-(3-chloro-1,2-dihydropyrazin-2-ylidene)-2-cyanoacetate","","- C11 H12 Cl N3 O2 -","- C11 H12 Cl N3 O2 -","- C44 H48 Cl4 N12 O8 -","4","1","NG2612","Stefańska, Anita; Ossowski, Tadeusz; Ponikiewski, Łukasz","<i>n</i>-Butyl 2-(3-chloro-1,2-dihydropyrazin-2-ylidene)-2-cyanoacetate","Acta Crystallographica Section E","2009","65","9","o2157","o2158","10.1107/S1600536809031870","","","0.71073","MoKα","","0.0672","0.0469","","","0.1242","0.1564","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2223210","4.4498","0.0011","22.833","0.007","10.955","0.003","90","","97.47","0.02","90","","1103.6","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Hydroxyimino-<i>N</i>'-[1-(2-pyridyl)ethylidene]propanohydrazide","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C40 H48 N16 O8 -","4","1","TK2523","Moroz, Yurii S.; Konovalova, Irina S.; Iskenderov, Turganbay S.; Pavlova, Svetlana V.; Shishkin, Oleg V.","2-Hydroxyimino-<i>N</i>'-[1-(2-pyridyl)ethylidene]propanohydrazide","Acta Crystallographica Section E","2009","65","9","o2242","","10.1107/S1600536809033352","","","0.71073","MoKα","","0.06","0.046","","","0.093","0.097","","","","","","1.1","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2223340","24.926","0.009","5.694","0.0019","7.749","0.003","90","","94.747","0.005","90","","1096","0.7","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-3-(4-Fluorophenyl)-1-phenyl-2-propen-1-one","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","CI2914","Jing, Lin-Hai","(<i>E</i>)-3-(4-Fluorophenyl)-1-phenyl-2-propen-1-one","Acta Crystallographica Section E","2009","65","10","o2515","","10.1107/S1600536809037635","","","0.71073","MoKα","","0.0343","0.0319","","","0.0651","0.0663","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223526","10.5021","0.0006","20.1959","0.0011","8.1256","0.0004","90","","102.367","0.001","90","","1683.44","0.16","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[[aqua(μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>')-μ-formato- κ^2^<i>O</i>:<i>O</i>'-formato-κ<i>O</i>-iron(II)] tetrahydrate]","","- C12 H20 Fe N2 O9 -","- C12 H20 Fe N2 O9 -","- C48 H80 Fe4 N8 O36 -","4","1","PV2199","Jiang, Bin; Liu, Zhilu","Poly[[aqua(μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis(μ-formato-κ^2^<i>O</i>:<i>O</i>')iron(II)] tetrahydrate]","Acta Crystallographica Section E","2009","65","10","m1189","m1190","10.1107/S1600536809034722","","","0.71073","MoKα","","0.0341","0.0336","","","0.0835","0.0842","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223587","5.7844","0.0012","15.896","0.003","8.4882","0.0017","90","","92.72","0.03","90","","779.6","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Cyanoanilinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C28 H28 Br4 N8 -","4","1","XU2593","Zhang, Li","2-Cyanoanilinium bromide","Acta Crystallographica Section E","2009","65","10","o2407","","10.1107/S1600536809035223","","","0.71073","MoKα","","0.0291","0.0251","","","0.0494","0.0503","","","","","","0.874","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223632","11.9433","0.0008","12.5397","0.0006","9.5305","0.0005","90","","111.859","0.007","90","","1324.72","0.14","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(2,6-Dichlorophenyl)-3-methylbenzamide","","- C14 H11 Cl2 N O -","- C14 H11 Cl2 N O -","- C56 H44 Cl8 N4 O4 -","4","1","BT5081","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Rodrigues, Vinola Zeena; Fuess, Hartmut","<i>N</i>-(2,6-Dichlorophenyl)-3-methylbenzamide","Acta Crystallographica Section E","2009","65","11","o2713","","10.1107/S1600536809039889","","","0.71073","MoKα","","0.0308","0.0277","","","0.0674","0.0684","","","","","","1.102","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223738","6.8059","0.0019","16.897","0.005","13.374","0.004","90","","100.086","0.007","90","","1514.2","0.8","125.1","","125.1","","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>cis</i>-Dichloridobis(trimethoxyphosphine)palladium(II)","","- C6 H18 Cl2 O6 P2 Pd -","- C6 H18 Cl2 O6 P2 Pd -","- C24 H72 Cl8 O24 P8 Pd4 -","4","1","FI2085","Slawin, Alexandra M. Z.; Waddell, Paul G.; Woollins, J. Derek","<i>cis</i>-Dichloridobis(trimethoxyphosphine)palladium(II) at 125K","Acta Crystallographica Section E","2009","65","11","m1391","","10.1107/S1600536809041919","","","0.71075","MoKα","","","0.054","","","","0.0903","","","","","","1.074","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223810","14.8543","0.001","12.4943","0.0009","7.7162","0.0005","90","","116.716","0.002","90","","1279.2","0.15","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-[(<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]pyridine-4-carbohydrazide","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","HB5177","Shafiq, Zahid; Yaqub, Muhammad; Tahir, M. Nawaz; Hussain, Abid; Iqbal, M. Saeed","<i>N</i>'-[(<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]pyridine-4-carbohydrazide","Acta Crystallographica Section E","2009","65","11","o2899","","10.1107/S1600536809044134","","","0.71073","MoKα","","0.0402","0.0335","","","0.0817","0.0863","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223993","13.258","0.003","12.349","0.003","25.394","0.007","90","","101.585","0.013","90","","4072.9","1.8","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis[4'-(4-cyanophenyl)-2,2':6',2''-terpyridine]cobalt(II) dichloride","","- C44 H28 Cl2 Co N8 -","- C44 H28 Cl2 Co N8 -","- C176 H112 Cl8 Co4 N32 -","4","1","RZ2368","Qian, Kun; Yan, Zhi-Hong; Chen, Zhong-Wen","Bis[4'-(4-cyanophenyl)-2,2':6',2''-terpyridine]cobalt(II) dichloride","Acta Crystallographica Section E","2009","65","11","m1351","","10.1107/S160053680904046X","","","0.71073","MoKα","","0.0448","0.0413","","","0.1014","0.1027","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224014","5.5018","0.0002","19.9215","0.0008","16.05","0.0007","90","","95.072","0.002","90","","1752.26","0.12","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(<i>Z</i>)-3-(9-Anthryl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","SJ2659","Chantrapromma, Suchada; Horkaew, Jirapa; Suwunwong, Thitipone; Fun, Hoong-Kun","(<i>Z</i>)-3-(9-Anthryl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","11","o2673","o2674","10.1107/S1600536809038665","","","0.71073","MoKα","","0.0431","0.0367","","","0.0836","0.0872","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224148","31.026","0.006","12.417","0.002","9.3209","0.0017","90","","101.423","0.004","90","","3519.7","1.1","290","2","290","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-(2-Chloroacetyl)-3-methyl-2,6-diphenylpiperidin-4-one","","- C20 H20 Cl N O2 -","- C20 H20 Cl N O2 -","- C160 H160 Cl8 N8 O16 -","8","2","CI2956","Khan, F. Nawaz; Nithya, P.; Krishna Kumar, V.; Hathwar, Venkatesha R.; Ng, Seik Weng","1-(2-Chloroacetyl)-3-methyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2009","65","12","o2985","","10.1107/S1600536809045358","","","0.71073","MoKα","","0.083","0.0514","","","0.0836","0.0943","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224312","10.6254","0.0005","28.542","0.001","9.838","0.0004","90","","117.953","0.001","90","","2635.49","0.19","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>N</i>-{4-[4-(4-Fluorophenyl)-1-(2-methoxyethyl)-2-methylsulfanyl- 1<i>H</i>-imidazol-5-yl]-2-pyridyl}-2-methyl-3-phenylpropionamide","","- C28 H29 F N4 O2 S -","- C28 H29 F N4 O2 S -","- C112 H116 F4 N16 O8 S4 -","4","1","IM2161","Ziegler, Katharina; Schollmeyer, Dieter; Laufer, Stefan","<i>N</i>-{4-[4-(4-Fluorophenyl)-1-(2-methoxyethyl)-2-methylsulfanyl-1<i>H</i>-imidazol-5-yl]-2-pyridyl}-2-methyl-3-phenylpropionamide","Acta Crystallographica Section E","2009","65","12","o3128","","10.1107/S1600536809048661","","","0.71073","MoKα","","0.0296","0.0286","","","0.0772","0.0781","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224347","5.9701","0.001","30.159","0.003","12.8348","0.0018","90","","97.558","0.002","90","","2290.9","0.6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4'-[Piperazine-1,4-diylbis(propylenenitrilomethylidyne)]diphenol","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","LH2937","Xu, Ruibo; Xu, Xingyou; Yang, Xujie; Huang, Yuping; Xu, Chunmei","4,4'-[Piperazine-1,4-diylbis(propylenenitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2009","65","12","o2996","","10.1107/S1600536809045620","","","0.71073","MoKα","","0.0694","0.043","","","0.0915","0.1026","","","","","","0.962","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224388","9.394","0.0019","17.146","0.003","9.1484","0.0018","90","","116.29","0.03","90","","1321.1","0.6","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,5-Tri-2-furyl-1<i>H</i>-imidazole","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C60 H40 N8 O12 -","4","1","OM2298","Wang, Shuai-Jun; Gu, Qiang; Su, Qing; Chen, Xiao-Dong; Zhang, Yu-Min","2,4,5-Tri-2-furyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2009","65","12","o3194","","10.1107/S1600536809049514","","","0.71073","MoKα","","0.0621","0.0422","","","0.1095","0.1186","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224456","5.0803","0.0002","22.7645","0.0009","14.588","0.0006","90","","97.626","0.002","90","","1672.19","0.12","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(4<i>Z</i>)-4-[(2<i>E</i>)-1-Hydroxy-3-(4-methoxyphenyl)prop-2-enylidene]-3- methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","SU2151","Malik, Khizar Iqbal; Munawar, Munawar Ali; Khan, Misbahul Ain; Nadeem, Sohail; Mukhtar-ul-Hassan","(4<i>Z</i>)-4-[(2<i>E</i>)-1-Hydroxy-3-(4-methoxyphenyl)prop-2-enylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2009","65","12","o3046","","10.1107/S1600536809046200","","","0.71073","MoKα","","0.0571","0.0373","","","0.0843","0.0935","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224566","14.375","0.0003","15.8411","0.0003","30.7348","0.0005","90","","101.888","0.001","90","","6848.7","0.2","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1'-Methyl-2-oxo-5'-phenylspiro[indoline-3,3'-pyrrolidine]-4',4'-dicarbonitrile","","- C20 H16 N4 O -","- C20 H16 N4 O -","- C320 H256 N64 O16 -","16","4","BT5137","Nabid, Mohammad Reza; Tabatabaei Rezaei, Seyed Jamal; Fazaeli, Yousef; Ng, Seik Weng","1'-Methyl-2-oxo-5'-phenylspiro[indoline-3,3'-pyrrolidine]-4',4'-dicarbonitrile","Acta Crystallographica Section E","2010","66","1","o145","","10.1107/S1600536809053094","","","0.71073","MoKα","","0.1171","0.072","","","0.166","0.1976","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224590","16.5065","0.0018","4.0806","0.0007","15.0392","0.0017","90","","93.654","0.01","90","","1010.9","0.2","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","6,11-Dihydrodibenz[<i>b</i>,<i>e</i>]oxepin-11-one","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","CI2982","Jasinski, Jerry P.; Hakim Al-arique, Q. N. M.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.","6,11-Dihydrodibenz[<i>b</i>,<i>e</i>]oxepin-11-one","Acta Crystallographica Section E","2010","66","1","o159","o160","10.1107/S1600536809053409","","","0.71073","MoKα","","0.0405","0.0401","","","0.1075","0.108","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224836","10.2627","0.0013","26.89","0.003","15.5387","0.0015","90","","92.666","0.01","90","","4283.5","0.8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(6-Acetyl-1,3,7-trimethyllumazine- κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)bis(triphenylphosphine- κ<i>P</i>)copper(I) hexafluorophosphate","","- C47 H42 Cu F6 N4 O3 P3 -","- C47 H42 Cu F6 N4 O3 P3 -","- C188 H168 Cu4 F24 N16 O12 P12 -","4","1","BG2316","Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.","(6-Acetyl-1,3,7-trimethyllumazine-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)bis(triphenylphosphine-κ<i>P</i>)copper(I) hexafluoridophosphate","Acta Crystallographica Section E","2010","66","2","m145","m146","10.1107/S1600536810000735","","","0.71073","MoKα","","0.1006","0.0486","","","0.0905","0.1131","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224860","16.207","0.004","12.82","0.003","7.7888","0.0018","90","","111.172","0.003","90","","1509.1","0.6","290","2","290","2","","","","","","","","3","C 1 c 1","C -2yc","9","","2-[2-(Hydroxymethyl)phenyl]-1-(1-naphthyl)ethanol","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","BT5147","Khan, F. Nawaz; Manivel, P.; Hathwar, Venkatesha R.; Krishnakumar, V.; Tyagi, Richa","2-[2-(Hydroxymethyl)phenyl]-1-(1-naphthyl)ethanol","Acta Crystallographica Section E","2010","66","2","o380","","10.1107/S1600536810000383","","","0.71073","MoKα","","0.0488","0.0376","","","0.081","0.0847","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225012","7.4793","0.0015","18.958","0.004","7.3132","0.0015","90","","99.38","0.03","90","","1023.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[diaqua(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato- κ^4^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)magnesium(II)]","","- C9 H8 Mg N2 O6 -","- C9 H8 Mg N2 O6 -","- C36 H32 Mg4 N8 O24 -","4","1","HY2269","Wang, Hao; Li, Xiao-Fei; Song, Wen-Dong; Ma, Xiao-Tian; Liu, Juan-Hua","Poly[diaqua(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^4^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)magnesium(II)]","Acta Crystallographica Section E","2010","66","2","m151","","10.1107/S1600536810001029","","","0.71073","MoKα","","0.0404","0.0356","","","0.0887","0.0898","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225202","12.9403","0.0002","14.7059","0.0002","7.3866","0.0001","90","","95.159","0.0008","90","","1399.97","0.03","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[trimethylphenylammonium [[bromidocadmate(II)]μ-bromido-μ-chlorido]]","","- C9 H14 Br2 Cd Cl N -","- C9 H14 Br2 Cd Cl N -","- C36 H56 Br8 Cd4 Cl4 N4 -","4","1","CI5034","Lo, Kong Mun; Ng, Seik Weng","<i>catena</i>-Poly[trimethylphenylammonium [[bromidocadmate(II)]-μ-bromido-μ-chlorido]]","Acta Crystallographica Section E","2010","66","3","m308","","10.1107/S1600536810005817","","","0.71073","MoKα","","0.0279","0.0269","","","0.0692","0.0697","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225236","22.4514","0.0004","12.7128","0.0002","8.83183","0.00016","90","","105.526","0.001","90","","2428.8","0.07","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","1,5-Di-(4-methoxyphenyl)-3-hexahydrocyclopentaquinolylbiuret","3-(2,3,5,6,7,8-Hexahydro- 1<i>H</i>-cyclopenta[<i>b</i>]quinolin-9-yl)-1,5-bis(4-methoxyphenyl)biuret","","- C28 H30 N4 O4 -","- C28 H30 N4 O4 -","- C112 H120 N16 O16 -","4","1","FJ2281","Sakurai, Kaori; Noguchi, Keiichi; Nishibe, Koichiro","3-(2,3,5,6,7,8-Hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-9-yl)-1,5-bis(4-methoxyphenyl)biuret","Acta Crystallographica Section E","2010","66","3","o655","","10.1107/S1600536810006057","","","1.54187","CuKα","","0.0287","0.0279","","","0.071","0.0716","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225313","3.6923","0.0003","37.857","0.003","14.8415","0.001","90","","95.111","0.002","90","","2066.3","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis(2,6-diaminopyridinium) hydrogen phthalate nitrate monohydrate","","- C18 H23 N7 O8 -","- C18 H23 N7 O8 -","- C72 H92 N28 O32 -","4","1","LH2987","Raissi Shabari, Akbar; Safaeimovahed, Maryam; Pourayoubi, Mehrdad","Bis(2,6-diaminopyridinium) hydrogen phthalate nitrate monohydrate","Acta Crystallographica Section E","2010","66","3","o551","","10.1107/S1600536810004150","","","0.71073","MoKα","","0.0549","0.0457","","","0.0887","0.0926","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225485","12.0715","0.0004","12.4966","0.0003","9.7027","0.0003","90","","112.123","0.004","90","","1355.92","0.08","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-(2,6-Dimethylphenyl)-3-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","BT5228","Rodrigues, Vinola Z.; Tokarčík, Miroslav; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(2,6-Dimethylphenyl)-3-methylbenzamide","Acta Crystallographica Section E","2010","66","4","o991","","10.1107/S1600536810011530","","","0.71073","MoKα","","0.0333","0.0301","","","0.0819","0.0836","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225509","9.2252","0.0004","9.4842","0.0004","11.416","0.0006","90","","101.078","0.005","90","","980.22","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5,5-Dimethyl-2-methylseleno-1,3,2-dioxaphosphorinan-2-one","","- C6 H13 O3 P Se -","- C6 H13 O3 P Se -","- C24 H52 O12 P4 Se4 -","4","1","DN2544","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","5,5-Dimethyl-2-methylseleno-1,3,2-dioxaphosphorinan-2-one","Acta Crystallographica Section E","2010","66","4","o856","","10.1107/S1600536810008330","","","0.71073","MoKα","","0.0263","0.0259","","","0.065","0.0651","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225601","10.248","0.006","19.692","0.011","12.281","0.007","90","","91.523","0.01","90","","2477","2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis{<i>N</i>'-[1-(2-pyridyl)ethylidene-κ<i>N</i>]benzohydrazidato- κ^2^<i>N</i>',<i>O</i>}nickel(II)","","- C28 H24 N6 Ni O2 -","- C28 H24 N6 Ni O2 -","- C112 H96 N24 Ni4 O8 -","4","1","JH2131","Datta, Amitabha; Chuang, Nien-Tsu; Sie, Ming-Han; Huang, Jui-Hsien; Lee, Hon Man","Bis{<i>N</i>'-[1-(2-pyridyl)ethylidene-κ<i>N</i>]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II)","Acta Crystallographica Section E","2010","66","4","m359","","10.1107/S1600536810007336","","","0.71073","MoKα","","0.0704","0.0669","","","0.1791","0.182","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225658","4.7921","0.0005","42.81","0.004","7.8573","0.0008","90","","105.798","0.002","90","","1551","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>n</i>-Dodecylammonium bromide monohydrate","","- C12 H30 Br N O -","- C12 H30 Br N O -","- C48 H120 Br4 N4 O4 -","4","1","LX2141","Dan, Wenyan; Di, Youying; He, Donghua; Yang, Weiwei; Kong, Yuxia","<i>n</i>-Dodecylammonium bromide monohydrate","Acta Crystallographica Section E","2010","66","4","o910","","10.1107/S1600536810010123","","","0.71073","MoKα","","0.0785","0.0431","","","0.0749","0.081","","","","","","0.917","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225856","24.918","0.004","5.0291","0.0008","13.075","0.002","90","","118.994","0.002","90","","1433.1","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-(2,3-Dimethoxybenzylidene)-2,4-dihydroxybenzohydrazide","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","HB5385","Han, You-Yue; Zhao, Qiu-Rong","<i>N</i>'-(2,3-Dimethoxybenzylidene)-2,4-dihydroxybenzohydrazide","Acta Crystallographica Section E","2010","66","5","o1027","","10.1107/S1600536810012134","","","0.71073","MoKα","","0.0439","0.034","","","0.0814","0.089","","","","","","0.777","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225858","7.084","0.002","27.01","0.003","7.755","0.002","90","","111.229","0.003","90","","1383.1","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>'-(2-Chlorobenzylidene)-2-hydroxy-3-methylbenzohydrazide","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C60 H52 Cl4 N8 O8 -","4","1","HB5388","Han, You-Yue; Zhao, Qiu-Rong","<i>N</i>'-(2-Chlorobenzylidene)-2-hydroxy-3-methylbenzohydrazide","Acta Crystallographica Section E","2010","66","5","o1025","","10.1107/S1600536810012110","","","0.71073","MoKα","","0.1114","0.0827","","","0.2023","0.2198","","","","","","0.918","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225901","4.9179","0.0003","23.592","0.001","18.4834","0.0009","90","","91.523","0.002","90","","2143.74","0.19","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2-(4-Fluorophenyl)-<i>N</i>-{4-[6-(4-fluorophenyl)-2,3- dihydroimidazo[2,1-<i>b</i>][1,3]thiazol-5-yl]pyridin-2-yl}acetamide","","- C24 H18 F2 N4 O S -","- C24 H18 F2 N4 O S -","- C96 H72 F8 N16 O4 S4 -","4","1","IM2189","Selig, Roland; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan","2-(4-Fluorophenyl)-<i>N</i>-{4-[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-<i>b</i>][1,3]thiazol-5-yl]pyridin-2-yl}acetamide","Acta Crystallographica Section E","2010","66","5","o1132","","10.1107/S1600536810012766","","","0.71073","MoKα","","0.049","0.0382","","","0.0853","0.0903","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225908","7.2142","0.0006","30.522","0.002","6.5587","0.0005","90","","107.267","0.002","90","","1379.09","0.18","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","IS2537","Chantrapromma, Suchada; Jeerapong, Jutatip; Kruahong, Thongchai; Laphookhieo, Surat; Fun, Hoong-Kun","1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one","Acta Crystallographica Section E","2010","66","5","o1120","o1121","10.1107/S1600536810013590","","","0.71073","MoKα","","0.0371","0.0336","","","0.0945","0.0968","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225910","9.3968","0.0007","3.6728","0.0002","12.751","0.0008","90","","95.598","0.005","90","","437.97","0.05","77","2","77","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Hydroxyamino-2-oxoacetohydrazide","","- C2 H5 N3 O3 -","- C2 H5 N3 O3 -","- C8 H20 N12 O12 -","4","1","JH2142","Trofymchuk, Oleksandra S.; Pavlova, Svetlana V.; Bon, Vladimir; Boyko, Alexander N.; Pekhnyo, Vasily","2-Hydroxyamino-2-oxoacetohydrazide","Acta Crystallographica Section E","2010","66","5","o1058","","10.1107/S1600536810012341","","","0.71073","MoKα","","0.0376","0.0321","","","0.0736","0.0766","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226051","9.8147","0.0006","15.5929","0.0011","13.9498","0.0009","90","","93.529","0.004","90","","2130.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-chloroacetyl-2,6-bis(2-chlorophenyl)-3,5-dimethyl-piperidin-4-one oxime","","- C21 H21 Cl3 N2 O2 -","- C21 H21 Cl3 N2 O2 -","- C84 H84 Cl12 N8 O8 -","4","1","BT5245","Ravichandran, K.; Ramesh, P.; Rani, M.; Kabilan, S.; Ponnuswamy, M. N.","1-Chloroacetyl-2,6-bis(2-chlorophenyl)-3,5-dimethylpiperidin-4-one oxime","Acta Crystallographica Section E","2010","66","6","o1506","","10.1107/S1600536810018489","","","0.71073","MoKα","","0.0368","0.0306","","","0.0728","0.0764","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226188","19.809","0.004","8.3459","0.0015","16.021","0.003","90","","119.825","0.003","90","","2297.8","0.8","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-<i>N</i>'-[(<i>E</i>)-2-Methylpent-2-enylidene]isonicotinohydrazide","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C96 H120 N24 O8 -","8","2","IS2553","Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Loh, Wan-Sin; Fun, Hoong-Kun","(<i>E</i>)-<i>N</i>'-[(<i>E</i>)-2-Methylpent-2-enylidene]isonicotinohydrazide","Acta Crystallographica Section E","2010","66","6","o1489","o1490","10.1107/S1600536810019434","","","0.71073","MoKα","","0.086","0.073","","","0.2062","0.2249","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226196","10.698","0.002","19.052","0.004","16.81","0.003","90","","101.13","0.03","90","","3361.7","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-[Morpholino(phenyl)methyl]-2-naphthol","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C168 H168 N8 O16 -","8","2","JH2156","Zhao, Min Min; Shi, Ping Ping","1-[Morpholino(phenyl)methyl]-2-naphthol","Acta Crystallographica Section E","2010","66","6","o1406","","10.1107/S1600536810018064","","","0.71073","MoKα","","0.0661","0.0489","","","0.1089","0.1182","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226309","34.8","0.008","7.4221","0.0014","5.6535","0.0013","90","","95.925","0.002","90","","1452.4","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,4-Bis(4-chlorophenyl)-2-hydroxybutane-1,4-dione","","- C16 H12 Cl2 O3 -","- C16 H12 Cl2 O3 -","- C64 H48 Cl8 O12 -","4","1","TK2670","Liu, Yongjun; Yang, Kuiwei; Song, Weiling; Qi, Yan","1,4-Bis(4-chlorophenyl)-2-hydroxybutane-1,4-dione","Acta Crystallographica Section E","2010","66","6","o1426","","10.1107/S1600536810018027","","","0.71073","MoKα","","0.0714","0.0568","","","0.1524","0.1629","","","","","","1.054","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226384","16.0768","0.0003","17.1087","0.0003","8.953","0.0002","90","","93.701","0.001","90","","2457.42","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,5-Dimethyl-3-propargyl-1<i>H</i>-1,5-benzodiazepine- 2,4(3<i>H</i>,5<i>H</i>)-dione","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","2","CI5110","Dardouri, Rachid; Ouazzani Chahdi, F.; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","1,5-Dimethyl-3-propargyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2010","66","7","o1797","","10.1107/S1600536810024219","","","0.71073","MoKα","","0.072","0.0377","","","0.0846","0.1048","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226565","14.6659","0.0007","9.5498","0.0006","13.672","0.0007","90","","116.149","0.003","90","","1718.87","0.17","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","polythiazide","6-chloro-2-methyl-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro- 2<i>H</i>-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","","- C11 H13 Cl F3 N3 O4 S3 -","- C11 H13 Cl F3 N3 O4 S3 -","- C44 H52 Cl4 F12 N12 O16 S12 -","4","1","KJ2150","Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.","Polythiazide","Acta Crystallographica Section E","2010","66","7","o1663","o1664","10.1107/S1600536810022105","","","0.71073","MoKα","","0.055","0.0424","","","0.093","0.0977","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226575","6.5064","0.0013","12.385","0.003","18.752","0.004","90","","98.26","0.03","90","","1495.4","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","1-Acetyl-3-(2-nitrophenyl)-5-phenyl-2-pyrazoline","1-[3-(2-Nitrophenyl)-5-phenyl-2-pyrazolin-1-yl]ethanone","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","LH5050","Guo, Huan-Mei; Huang, Ben-Yu; Qin, Xiang; Zou, Huan-Ze; Jian, Fang-Fang","1-[3-(2-Nitrophenyl)-5-phenyl-2-pyrazolin-1-yl]ethanone","Acta Crystallographica Section E","2010","66","7","o1587","","10.1107/S1600536810020611","","","0.71073","MoKα","","0.0472","0.0296","","","0.0725","0.0865","","","","","","1.127","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226773","11.3876","0.001","24.283","0.003","23.102","0.002","90","","97.669","0.004","90","","6331.1","1.1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)pentylamine-\ κ^2^<i>P</i>,<i>P</i>']platinum(II) bis(hexafluoridophosphate) dichloromethane disolvate","","- C60 H66 Cl4 F12 N2 P6 Pt -","- C60 H66 Cl4 F12 N2 P6 Pt -","- C240 H264 Cl16 F48 N8 P24 Pt4 -","4","1","BT5278","Engelbrecht, Ilana; Visser, Hendrik G.; Roodt, Andreas","Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)pentylamine-κ^2^<i>P</i>,<i>P</i>']platinum(II) bis(hexafluoridophosphate) dichloromethane disolvate","Acta Crystallographica Section E","2010","66","8","m922","m923","10.1107/S1600536810025560","","","0.71073","MoKα","","0.0276","0.0235","","","","0.0472","","","","","","0.887","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226818","17.629","0.0016","13.8091","0.0013","9.2518","0.0009","90","","93.94","0.002","90","","2246.9","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis(2-amino-4-methylpyridinium) terephthalate tetrahydrate","","- C20 H30 N4 O8 -","- C20 H30 N4 O8 -","- C80 H120 N16 O32 -","4","1","CI5123","Hemamalini, Madhukar; Fun, Hoong-Kun","Bis(2-amino-4-methylpyridinium) terephthalate tetrahydrate","Acta Crystallographica Section E","2010","66","8","o1925","o1926","10.1107/S1600536810025651","","","0.71073","MoKα","","0.0408","0.0363","","","0.0972","0.1006","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226889","19.3067","0.0019","9.0058","0.0009","8.9521","0.0009","90","","100.964","0.003","90","","1528.1","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(4-Methylcyclohex-3-enyl)propan-2-yl <i>N</i>-phenylcarbamate","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","HB5524","Ghalib, Raza Murad; Sulaiman, Othman; Mehdi, Sayed Hasan; Goh, Jia Hao; Fun, Hoong-Kun","2-(4-Methylcyclohex-3-enyl)propan-2-yl <i>N</i>-phenylcarbamate","Acta Crystallographica Section E","2010","66","8","o1889","o1890","10.1107/S1600536810025080","","","0.71073","MoKα","","0.0614","0.0504","","","0.1301","0.1542","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226929","8.812","0.0016","18.215","0.003","7.2094","0.001","90","","119.38","0.002","90","","1008.4","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(3-Methoxyphenoxy)pyrimidine","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","HB5584","Nasir, Shah Bakhtiar; Abdullah, Zanariah; Fairuz, Zainal A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(3-Methoxyphenoxy)pyrimidine","Acta Crystallographica Section E","2010","66","8","o2187","","10.1107/S160053681003014X","","","0.71073","MoKα","","0.049","0.032","","","0.075","0.086","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226976","4.6136","0.001","22.548","0.005","13.195","0.002","90","","90.993","0.011","90","","1372.4","0.5","90","0.5","90","0.5","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 2-(2,3,4,5,6-Pentabromophenyl)acetate","","- C10 H7 Br5 O2 -","- C10 H7 Br5 O2 -","- C40 H28 Br20 O8 -","4","1","JJ2038","Sauer, Anne M.; Mack, Art G.; Elnagar, Hassan Y.; Fronczek, Frank R.","Ethyl 2-(2,3,4,5,6-Pentabromophenyl)acetate","Acta Crystallographica Section E","2010","66","8","o1994","","10.1107/S1600536810025626","","","0.71073","MoKα","","0.029","0.025","","","0.052","0.053","","","","","","1.166","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226990","21.4648","0.0014","10.3964","0.0007","22.7524","0.0015","90","","93.76","0.001","90","","5066.4","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1,3-Bis(2,6-diisopropylphenyl)imidazolidinium tetraphenylborate dichloromethane disolvate","","- C53 H63 B Cl4 N2 -","- C53 H63 B Cl4 N2 -","- C212 H252 B4 Cl16 N8 -","4","1","LH5077","Giffin, Nick A.; Hendsbee, Arthur D.; Masuda, Jason D.","1,3-Bis(2,6-diisopropylphenyl)imidazolidinium tetraphenylborate dichloromethane disolvate","Acta Crystallographica Section E","2010","66","8","o2090","o2091","10.1107/S1600536810028424","","","0.71073","MoKα","","0.0717","0.0624","","","0.1786","0.1864","","","","","","1.352","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227009","7.9234","0.0007","25.059","0.002","15.4916","0.0014","90","","97.699","0.002","90","","3048.2","0.5","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetrabutylammonium <i>N</i>-benzoyl-6-nitro-1,3-benzothiazol-2-aminide","","- C30 H44 N4 O3 S -","- C30 H44 N4 O3 S -","- C120 H176 N16 O12 S4 -","4","1","LX2157","Nguyen, Quynh Pham Bao; Kang, Sung Ok; Kim, Taek Hyeon","Tetrabutylammonium <i>N</i>-benzoyl-6-nitro-1,3-benzothiazol-2-aminide","Acta Crystallographica Section E","2010","66","8","o1970","","10.1107/S1600536810026504","","","0.71073","MoKα","","0.1744","0.0687","","","0.1272","0.1694","","","","","","0.95","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227040","13.4829","0.0005","15.5746","0.0006","7.7545","0.0003","90","","107.635","0.0006","90","","1551.85","0.1","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Chlorido[1-(2-ethoxyphenyl)3-(4-nitrophenyl)triazenido]mercury(II)","","- C14 H13 Cl Hg N4 O3 -","- C14 H13 Cl Hg N4 O3 -","- C56 H52 Cl4 Hg4 N16 O12 -","4","1","PV2293","Melardi, Mohammad Reza; Roohi, Zeynab; Heidari, Nazanin; Rofouei, Mohammad Kazem","Chlorido[1-(2-ethoxyphenyl)3-(4-nitrophenyl)triazenido]mercury(II)","Acta Crystallographica Section E","2010","66","8","m975","","10.1107/S1600536810027819","","","0.71073","MoKα","","0.0263","0.022","","","0.0448","0.0467","","","","","","0.755","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227096","18.6545","0.0014","7.6394","0.0003","12.6319","0.001","90","","121.856","0.01","90","","1529","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","guanidinium phenylarsonate guanidine dihyrate","Guanidinium phenylarsonate‒guanidine‒water (1/1/2)","","- C8 H21 As N6 O5 -","- C8 H21 As N6 O5 -","- C32 H84 As4 N24 O20 -","4","1","TK2684","Smith, Graham; Wermuth, Urs D.","Guanidinium phenylarsonate‒guanidine‒water (1/1/2)","Acta Crystallographica Section E","2010","66","8","o1893","o1894","10.1107/S1600536810025043","","","0.71073","MoKα","","0.0209","0.0185","","","0.0352","0.0354","","","","","","0.956","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227396","17.0746","0.0004","13.417","0.0004","8.7607","0.0003","90","","90.341","0.001","90","","2006.95","0.1","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","Mammea A/AC cyclo/D6-Butyryl-5-hydroxy-4-phenylseselin","6-Butyryl-5-hydroxy-8,8-dimethyl-4-phenyl-2<i>H</i>,8<i>H</i>- benzo[1,2-<i>b</i>;3,4-<i>b</i>']dipyran-2-one","","- C24 H22 O5 -","- C24 H22 O5 -","- C96 H88 O20 -","4","1","DS2051","Aree, Thammarat; Tip-pyang, Santi; Sowanthip, Preecha","6-Butyryl-5-hydroxy-4-phenylseselin","Acta Crystallographica Section E","2010","66","9","o2464","o2465","10.1107/S160053681003415X","","","0.71073","MoKα","","0.0521","0.0372","","","0.0909","0.1","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227496","15.3744","0.001","7.5162","0.0005","9.6256","0.0007","90","","95.413","0.003","90","","1107.35","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","<i>1,4-</i>)Benzothizin-4-acetohydrazide","2-(3-Oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl)acetohydrazide","","- C10 H11 N3 O2 S -","- C10 H11 N3 O2 S -","- C40 H44 N12 O8 S4 -","4","1","HB5598","Saeed, Azher; Mahmood, Zaid; Yang, Shiyao; Ahmad, Saeed; Salim, Muhammad","2-(3-Oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl)acetohydrazide","Acta Crystallographica Section E","2010","66","9","o2289","o2290","10.1107/S1600536810031272","","","0.71073","MoKα","","0.0289","0.0274","","","0.0746","0.076","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227605","17.4471","0.0012","10.7574","0.0008","8.2845","0.0006","90","","111.956","0.004","90","","1442.11","0.18","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2,5-Dichloro-<i>N</i>-cyclohexylbenzenesulfonamide","","- C12 H15 Cl2 N O2 S -","- C12 H15 Cl2 N O2 S -","- C48 H60 Cl8 N4 O8 S4 -","4","1","HG2717","Khan, Islam Ullah; Sharif, Shahzad; Batool, Shumaila; Mumtaz, Ahmad Mahmood; Tiekink, Edward R. T.","2,5-Dichloro-<i>N</i>-cyclohexylbenzenesulfonamide","Acta Crystallographica Section E","2010","66","10","o2641","","10.1107/S160053681003789X","","","0.71073","MoKα","","0.05","0.037","","","0.085","0.092","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227693","7.6457","0.0008","18.0712","0.0019","14.9876","0.0012","90","","96.014","0.007","90","","2059.4","0.3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>cis</i>-Dichloridobis(2-phenylpyridine-κ<i>N</i>)platinum(II)","","- C22 H18 Cl2 N2 Pt -","- C22 H18 Cl2 N2 Pt -","- C88 H72 Cl8 N8 Pt4 -","4","1","IS2622","Yoshinari, Nobuto; Kitani, Naoki; Konno, Takumi","<i>cis</i>-Dichloridobis(2-phenylpyridine-κ<i>N</i>)platinum(II)","Acta Crystallographica Section E","2010","66","11","m1499","","10.1107/S160053681004393X","","","0.71075","MoKα","","0.0528","0.039","","","0.0728","0.0758","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227871","9.726","0.0002","27.5398","0.0007","9.35","0.0002","90","","107.679","0.001","90","","2386.14","0.09","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>tert</i>-Butyl <i>N</i>-[(11-<i>exo</i>-benzyloxycarbonyl-8- oxopentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-11-<i>endo</i>- yloxy)carbonylmethyl]carbamate","","- C26 H29 N O7 -","- C26 H29 N O7 -","- C104 H116 N4 O28 -","4","1","OM2360","Karpoormath, Rajshekhar; Govender, Thavendran; Govender, Patrick; Kruger, Hendrik G.; Maguire, Glenn E. M.","<i>tert</i>-Butyl <i>N</i>-[(11-<i>exo</i>-benzyloxycarbonyl-8-oxopentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-11-<i>endo</i>-yloxy)carbonylmethyl]carbamate","Acta Crystallographica Section E","2010","66","10","o2607","o2608","10.1107/S1600536810036627","","","1.54178","CuKα","","0.0399","0.0383","","","0.0983","0.0999","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227914","11.3775","0.0007","24.6369","0.0011","8.8687","0.0006","90","","112.913","0.008","90","","2289.8","0.3","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","2,2'-Dimethyl-5,5'-dipropan-2-yl-4,4'-(phenylmethylene)diphenol","","- C27 H32 O2 -","- C27 H32 O2 -","- C108 H128 O8 -","4","1","PV2319","Oubair, Ahmad; Fihi, Rachid; Majidi, Lhou; Azrour, Mohamed; Daran, Jean-Claude","2,2'-Dimethyl-5,5'-dipropan-2-yl-4,4'-(phenylmethylene)diphenol","Acta Crystallographica Section E","2010","66","9","o2391","o2392","10.1107/S1600536810033441","","","0.71073","MoKα","","0.077","0.046","","","0.0929","0.1027","","","","","","0.949","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228003","6.1114","0.0006","29.489","0.003","7.482","0.0007","90","","96.696","0.008","90","","1339.2","0.2","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-methoxybenzylidene]pyridine-4-carbohydrazide","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","SJ5051","Kargar, Hadi; Kia, Reza; Akkurt, Mehmet; Büyükgüngör, Orhan","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-methoxybenzylidene]pyridine-4-carbohydrazide","Acta Crystallographica Section E","2010","66","11","o2982","","10.1107/S1600536810043382","","","0.71073","MoKα","","0.067","0.0461","","","0.1035","0.1141","","","","","","1.11","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228116","9.6452","0.0005","21.535","0.0011","13.5083","0.0007","90","","90.784","0.001","90","","2805.5","0.3","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(2-Aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(<i>rac</i>- 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate","","- C23 H44 Cl N5 Ni O7 -","- C23 H44 Cl N5 Ni O7 -","- C92 H176 Cl4 N20 Ni4 O28 -","4","1","XU5028","Ou, Guang-Chuan; Ng, Seik Weng","(2-Aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate","Acta Crystallographica Section E","2010","66","10","m1295","m1296","10.1107/S1600536810037116","","","0.71073","MoKα","","0.0254","0.0234","","","0.063","0.0644","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228294","8.8094","0.0018","9.3732","0.0019","11.189","0.002","90","","101.8","0.03","90","","904.4","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-[1-(Carboxymethyl)pyridinium-4-yl]-1,2,3,4-tetrazol-1-ide","","- C8 H7 N5 O2 -","- C8 H7 N5 O2 -","- C32 H28 N20 O8 -","4","1","DN2625","Feng, Li-ping; Zhao, Liang","5-[1-(Carboxymethyl)pyridinium-4-yl]-1,2,3,4-tetrazol-1-ide","Acta Crystallographica Section E","2010","66","12","o3310","","10.1107/S1600536810048403","","","0.71073","MoKα","","0.034","0.0311","","","0.0774","0.0819","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228301","11.7397","0.0005","16.9703","0.0006","7.9324","0.0003","90","","96.949","0.004","90","","1568.73","0.11","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-Ethoxyphenyl 4-[(methoxycarbonyl)oxy]benzoate","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","1","FB2212","Srinivasa, H. T.; Devarajegowda, H. C.; Arunkashi, H. K.; Meenakshi, T. G.","4-Ethoxyphenyl 4-[(methoxycarbonyl)oxy]benzoate","Acta Crystallographica Section E","2010","66","12","o3074","","10.1107/S1600536810044661","","","0.71073","MoKα","","0.0712","0.0352","","","0.0794","0.0852","","","","","","0.977","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228329","18.4311","0.0015","12.0676","0.001","8.8508","0.0006","90","","95.366","0.007","90","","1960","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(2<i>SR</i>,3<i>SR</i>)-Isopropyl 3-{[dimethyl(phenyl)silyl]methyl}-2-hydroxy-2-vinylpent-4-enoate","","- C19 H28 O3 Si -","- C19 H28 O3 Si -","- C76 H112 O12 Si4 -","4","1","HB5668","Nelson, Bjoern; Schürmann, Markus; Preut, Hans; Hiersemann, Martin","(2<i>SR</i>,3<i>SR</i>)-Isopropyl 3-{[dimethyl(phenyl)silyl]methyl}-2-hydroxy-2-vinylpent-4-enoate","Acta Crystallographica Section E","2010","66","12","o3102","","10.1107/S1600536810044818","","","0.71073","MoKα","","0.0593","0.0398","","","0.0429","0.0442","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228508","21.144","0.003","5.6497","0.0007","16.898","0.002","90","","104.29","0.006","90","","1956.1","0.4","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(2<i>R</i>,3<i>R</i>,4a<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>)-4a-Fluoro- 8a-hydroxyperhydronaphthalene-2,3,6,7-tetrayl tetraacetate","","- C18 H25 F O9 -","- C18 H25 F O9 -","- C72 H100 F4 O36 -","4","1","PB2046","Mehta, Goverdhan; Sen, Saikat","(2<i>R</i>,3<i>R</i>,4a<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>)-4a-Fluoro-8a-hydroxyperhydronaphthalene-2,3,6,7-tetrayl tetraacetate","Acta Crystallographica Section E","2010","66","12","o3095","","10.1107/S1600536810044314","","","0.71073","MoKa","","0.0966","0.0431","","","0.1125","0.1666","","","","","","1.134","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228518","16.56","0.003","14.809","0.003","10.241","0.002","90","","124.27","0.03","90","","2075.5","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Acetyl-2-r,6-c-bis(4-chlorophenyl)-3-methyl-1,2,5,6-tetrahydropyridin-4-yl acetate","","- C22 H21 Cl2 N O3 -","- C22 H21 Cl2 N O3 -","- C88 H84 Cl8 N4 O12 -","4","1","PV2343","Vimalraj, V.; Pandiarajan, K.","1-Acetyl-2-<i>r</i>,6-<i>c</i>-bis(4-chlorophenyl)-3-methyl-1,2,5,6-tetrahydropyridin-4-yl acetate","Acta Crystallographica Section E","2010","66","12","o3259","","10.1107/S1600536810047586","","","0.71073","MoKα","","0.0485","0.037","","","0.0931","0.1002","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228645","13.259","0.0014","16.3231","0.0016","19.166","0.002","90","","98.58","0.002","90","","4101.6","0.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[triethylammonium [[triphenyltin(IV)]-μ-2,2'-dihydroxy-4,4'-methylenedi-2-naphthoato]]","","- C47 H45 N O6 Sn -","- C47 H45 N O6 Sn -","- C188 H180 N4 O24 Sn4 -","4","1","BH2324","Liu, Lijun; Gong, Shuwen","<i>catena</i>-Poly[triethylammonium [[triphenyltin(IV)]-μ-3,3'-dihydroxy-4,4'-methylenedi-2-naphthoato]]","Acta Crystallographica Section E","2011","67","1","m122","","10.1107/S1600536810052402","","","0.71073","MoKα","","0.0911","0.0697","","","0.1682","0.1824","","","","","","0.975","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228702","16.638","0.004","10.5589","0.0019","14.327","0.003","90","","110.758","0.004","90","","2353.6","0.9","193.1","","193.1","","","","","","","","","8","C 1 c 1","C -2yc","9","","(η^6^-Benzene){2-[2-(<i>tert</i>-butylsulfanyl)phenyl]pyridine- κ^2^<i>N</i>,<i>S</i>}chloridoruthenium(II) hexafluoridophosphate","","- C21 H23 Cl F6 N P Ru S -","- C21 H23 Cl F6 N P Ru S -","- C84 H92 Cl4 F24 N4 P4 Ru4 S4 -","4","1","FJ2364","Hirotsu, Masakazu; Yogi, Akira; Kinoshita, Isamu","(η^6^-Benzene){2-[2-(<i>tert</i>-butylsulfanyl)phenyl]pyridine-κ^2^<i>N</i>,<i>S</i>}chloridoruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2011","67","1","m63","","10.1107/S1600536810049810","","","0.7107","MoKα","","0.0417","0.0369","","","","0.0783","","","","","","1.027","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228809","5.2025","0.0007","18.066","0.003","17.56","0.002","90","","98.365","0.002","90","","1632.9","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 4-(1,3-dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)benzoate","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","LH5180","Chan, Yi Chen; Salhin, Abdussalam; Khairuddean, Melati; Hemamalini, Madhukar; Fun, Hoong-Kun","Ethyl 4-(1,3-dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)benzoate","Acta Crystallographica Section E","2011","67","1","o98","o99","10.1107/S160053681005049X","","","0.71073","MoKα","","0.0718","0.0654","","","0.1661","0.1707","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228864","23.211","0.002","12.4312","0.0012","8.1329","0.0008","90","","107.902","0.001","90","","2233.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[tris(μ~2~-1<i>H</i>-benzimidazole-5- carboxylato)europium(III)]","","- C24 H15 Eu N6 O6 -","- C24 H15 Eu N6 O6 -","- C96 H60 Eu4 N24 O24 -","4","1","RZ2533","Gao, Junlin; Wang, Jun; Dai, Chuntao","<i>catena</i>-Poly[tris(μ~2~-1<i>H</i>-benzimidazole-5-carboxylato)europium(III)]","Acta Crystallographica Section E","2011","67","1","m75","","10.1107/S1600536810051706","","","0.71073","MoKα","","0.0233","0.0219","","","0.053","0.0543","","","","","","1.054","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228908","7.0508","0.0014","7.4007","0.0015","11.926","0.002","90","","96.56","0.03","90","","618.2","0.2","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5-(Pyridinium-4-yl)-1<i>H</i>-1,2,3,4-tetrazol-1-ide","","- C6 H5 N5 -","- C6 H5 N5 -","- C24 H20 N20 -","4","1","XU5093","Xu, Qian; Xu, Jie","5-(Pyridinium-4-yl)-1<i>H</i>-1,2,3,4-tetrazol-1-ide","Acta Crystallographica Section E","2011","67","1","o43","","10.1107/S1600536810050257","","","0.71073","MoKα","","0.0459","0.0395","","","0.0932","0.0957","","","","","","1.13","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228933","9.62","0.0009","5.279","0.0003","11.895","0.001","90","","96.667","0.003","90","","599.99","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-amino-1,2,4-triazol-1-ium nitrate","4-Amino-1<i>H</i>-1,2,4-triazol-1-ium nitrate","","- C2 H5 N5 O3 -","- C2 H5 N5 O3 -","- C8 H20 N20 O12 -","4","1","ZQ2079","Matulková, Irena; Císařová, Ivana; Němec, Ivan","4-Amino-1<i>H</i>-1,2,4-triazol-1-ium nitrate","Acta Crystallographica Section E","2011","67","1","o18","o19","10.1107/S1600536810049949","","","0.71073","MoKα","","0.0292","0.0268","","","0.0701","0.0726","","","","","","1.114","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229455","10.7591","0.0005","13.2318","0.0006","21.0558","0.001","90","","94.61","0.001","90","","2987.9","0.2","185","2","185","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[<i>N</i>'-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato- κ^2^<i>N</i>',<i>O</i>]tris(pyridine-κ<i>N</i>)cobalt(III) perchlorate","","- C30 H27 Cl Co N5 O7 -","- C30 H27 Cl Co N5 O7 -","- C120 H108 Cl4 Co4 N20 O28 -","4","1","MW2001","Yu, Gui-Miao; Yang, Xiu-Yun; Wang, Yuan; Xiao, Ya-Juan; Li, Yun-Hui","[<i>N</i>'-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]tris(pyridine-κ<i>N</i>)cobalt(III) perchlorate","Acta Crystallographica Section E","2011","67","3","m329","","10.1107/S1600536811004715","","","0.71073","MoKα","","0.0428","0.0363","","","0.0687","0.0719","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229659","12.8404","0.0002","14.2623","0.0003","9.5868","0.0002","90","","99.467","0.001","90","","1731.75","0.06","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Aqua{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]ethane-1,2-\ diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C13 H19 N5 Ni O S2 -","- C13 H19 N5 Ni O S2 -","- C52 H76 N20 Ni4 O4 S8 -","4","1","GO2008","Suleiman Gwaram, Nura; Saharin, Siti Munirah; Khaledi, Hamid; Mohd Ali, Hapipah","Aqua{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2011","67","4","m513","","10.1107/S1600536811011512","","","0.71073","MoKα","","0.0348","0.0313","","","0.0681","0.0702","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2230114","5.979","0.0012","18.396","0.004","16.801","0.003","90","","98.83","0.03","90","","1826","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis[2-bromo-4-(2-hydroxyethyl)phenol] monohydrate","","- C16 H20 Br2 O5 -","- C16 H20 Br2 O5 -","- C64 H80 Br8 O20 -","4","1","PV2391","Zhu, Jing; Yang, Wen-ge; Wang, Lu-lu; Wang, Kai; Hu, Yong-hong","Bis[2-bromo-4-(2-hydroxyethyl)phenol] monohydrate","Acta Crystallographica Section E","2011","67","5","o1109","","10.1107/S160053681101066X","","","0.71073","MoKα","","0.077","0.0446","","","0.0881","0.0954","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230177","6.636","0.0013","14.907","0.003","13.588","0.003","90","","95.09","0.03","90","","1338.9","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","Bis(4-amino-2-chlorophenyl) disulfide","4-[(4-amino-2-chlorophenyl)disulfanyl]-3-chloroaniline","","- C12 H10 Cl2 N2 S2 -","- C12 H10 Cl2 N2 S2 -","- C48 H40 Cl8 N8 S8 -","4","1","XU5174","Tang, Jun-Mei; Feng, Zhi-Qiang; Cheng, Wei","Bis(4-amino-2-chlorophenyl) disulfide","Acta Crystallographica Section E","2011","67","5","o1197","","10.1107/S1600536811014425","","","0.71073","MoKα","","0.0354","0.0312","","","0.0849","0.088","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230180","11.7264","0.0019","16.617","0.003","9.963","0.0016","90","","101.522","0.002","90","","1902.2","0.6","299","2","299","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate","","- C17 H14 N4 O7 S -","- C17 H14 N4 O7 S -","- C68 H56 N16 O28 S4 -","4","1","XU5177","Saeed, Sohail; Rashid, Naghmana; Bhatti, Moazzam H.; Wong, Wing-Tak","Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate","Acta Crystallographica Section E","2011","67","5","o1114","","10.1107/S1600536811012918","","","0.71073","MoKα","","0.0412","0.037","","","0.0906","0.0945","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230181","22.491","0.003","5.4342","0.0007","14.3118","0.0019","90","","106.788","0.002","90","","1674.6","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-Dicarboxy-<i>N</i>,<i>N</i>'-dicarboxylato(<i>m</i>- phenylene)dimethanaminium monohydrate","","- C16 H22 N2 O9 -","- C16 H22 N2 O9 -","- C64 H88 N8 O36 -","4","1","XU5178","Qiang, Yu-Xing; Zhu, Shou-Rong; Shao, Min","<i>N</i>,<i>N</i>'-Dicarboxy-<i>N</i>,<i>N</i>'-dicarboxylato(<i>m</i>-phenylene)dimethanaminium monohydrate","Acta Crystallographica Section E","2011","67","5","o1174","","10.1107/S1600536811013675","","","0.71073","MoKα","","0.0358","0.0299","","","0.0652","0.0691","","","","","","0.968","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230331","17.8778","0.0002","16.6364","0.0002","13.2655","0.0001","90","","92.642","0.001","90","","3941.26","0.07","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[[bis(3-hydroxyadamantane-1-carboxylato- κ<i>O</i>^1^)(3-hydroxyadamantane-1-carboxylic acid-κ<i>O</i>^1^)zinc(II)]- μ~2~-4,4'-bipyridine] monohydrate]","","- C43 H56 N2 O10 Zn -","- C43 H56 N2 O10 Zn -","- C172 H224 N8 O40 Zn4 -","4","1","HB5859","Shen, Jin-Bei; Guan, Quan-Yin; Chen, Xiao-Ju; Zhao, Guo-Liang","<i>catena</i>-Poly[[[bis(3-hydroxyadamantane-1-carboxylato-κ<i>O</i>^1^)(3-hydroxyadamantane-1-carboxylic acid-κ<i>O</i>^1^)zinc(II)]-μ~2~-4,4'-bipyridine] monohydrate]","Acta Crystallographica Section E","2011","67","6","m715","m716","10.1107/S1600536811016424","","","0.71073","MoKα","","0.045","0.0379","","","0.0902","0.0944","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230405","20.9904","0.0017","5.1503","0.0002","21.1125","0.0018","90","","121.955","0.011","90","","1936.5","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>''-dicyclohexylphosphoric triamide","","- C19 H30 N3 O2 P -","- C19 H30 N3 O2 P -","- C76 H120 N12 O8 P4 -","4","1","LD2010","Pourayoubi, Mehrdad; Rostami Chaijan, Mahnaz; Torre-Fernández, Laura; García-Granda, Santiago","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>''-dicyclohexylphosphoric triamide","Acta Crystallographica Section E","2011","67","6","o1360","","10.1107/S1600536811016679","","","1.5418","CuKα","","0.0669","0.0512","","","0.1111","0.1222","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230705","7.1665","0.0014","20.131","0.004","9.2464","0.0019","90","","103.193","0.002","90","","1298.8","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-Methyl-2,7-dioxo-3,6-dioxa-1(1,1')-ferrocenacycloheptaphane","propane-1,2-diyl ferrocene-1,1'-dicarboxylate","","- C15 H14 Fe O4 -","- C15 H14 Fe O4 -","- C60 H56 Fe4 O16 -","4","1","HY2432","Leng, Xin; Yang, Bingqin; Zhang, Pengfei; Fang, Xianwen","4-Methyl-2,7-dioxo-3,6-dioxa-1(1,1')-ferrocenacycloheptaphane","Acta Crystallographica Section E","2011","67","7","m947","","10.1107/S1600536811019398","","","0.71073","MoKα","","0.0438","0.0358","","","0.081","0.0866","","","","","","0.957","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230784","17.8256","0.0015","8.7584","0.0006","11.9182","0.0008","90","","100.404","0.005","90","","1830.1","0.2","100","0.1","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","Methyl 2-acetamido-2-(4-hydroxy-2-methyl-1,3-dioxo- 1,2,3,4-tetrahydroisoquinolin-4-yl)-4-methylpentanoate","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","LH5262","Fun, Hoong-Kun; Quah, Ching Kheng; Xu, Kai; Zhang, Yan","Methyl 2-acetamido-2-(4-hydroxy-2-methyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-methylpentanoate","Acta Crystallographica Section E","2011","67","7","o1710","o1711","10.1107/S1600536811022999","","","1.54178","CuKα","","0.0239","0.0236","","","0.0587","0.059","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230826","10.845","0.007","12.771","0.008","10.856","0.007","90","","96.683","0.007","90","","1493.4","1.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-<i>N</i>'-(3,5-Dichloro-2-hydroxybenzylidene)-2- methoxybenzohydrazide","","- C15 H12 Cl2 N2 O3 -","- C15 H12 Cl2 N2 O3 -","- C60 H48 Cl8 N8 O12 -","4","1","OM2438","Li, Xiao-Yan","(<i>E</i>)-<i>N</i>'-(3,5-Dichloro-2-hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2011","67","7","o1798","","10.1107/S160053681102366X","","","0.71073","MoKα","","0.0936","0.0582","","","0.1139","0.1325","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230889","12.2215","0.0008","14.1521","0.001","10.3326","0.0007","90","","114.72","0.003","90","","1623.4","0.2","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,1'-[(5-Hydroxymethyl-1,3-phenylene)bis(methylene)]dipyridin-4(1<i>H</i>)-one monohydrate","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","TK2759","Fernandes, José A.; Lago, Manuela E. L.; Silva, Sandrina; Tomé, João P. C.; Cavaleiro, José A. S.; Almeida Paz, Filipe A.","1,1'-[(5-Hydroxymethyl-1,3-phenylene)bis(methylene)]dipyridin-4(1<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2011","67","7","o1859","o1860","10.1107/S1600536811024809","","","0.71073","MoKα","","0.0312","0.0297","","","0.0756","0.0767","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230931","14.1896","0.0018","15.881","0.002","10.3998","0.001","90","","132.13","0.02","90","","1738","0.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-[(3-Chlorophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C84 H80 Cl4 N4 O8 -","4","1","XU5238","Shu, Li-Jin","1-[(3-Chlorophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2011","67","7","o1681","","10.1107/S1600536811021726","","","0.71073","MoKα","","0.1243","0.0848","","","0.2047","0.2399","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231187","22.437","0.0011","11.106","0.0005","16.572","0.0009","90","","112.904","0.001","90","","3803.9","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Triethylammonium hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-diacetato- κ^2^<i>O</i>-aqua-μ~3~-oxido-triferrate(III) toluene monosolvate","","- C29 H50 Fe3 N O18 -","- C29 H50 Fe3 N O18 -","- C116 H200 Fe12 N4 O72 -","4","1","KP2323","Burgoyne, Andrew R.; Meijboom, Reinout; Muller, Alfred; Omondi, Bernard O.","Triethylammonium hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-diacetato-κ^2^<i>O</i>-aqua-μ~3~-oxido-triferrate(III) toluene monosolvate","Acta Crystallographica Section E","2011","67","8","m1092","m1093","10.1107/S160053681102616X","","","0.71073","MoKα","","0.0474","0.0404","","","0.0947","0.0985","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231204","7.2852","0.0001","15.2715","0.0002","11.5382","0.0001","90","","96.304","0.001","90","","1275.93","0.03","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-[(<i>E</i>)-4-Chlorobenzylidene]-2,4-dimethylaniline","","- C15 H14 Cl N -","- C15 H14 Cl N -","- C60 H56 Cl4 N4 -","4","1","LH5274","Fun, Hoong-Kun; Quah, Ching Kheng; Viveka, S.; Madhukumar, D. J.; Prasad, D. Jagadeesh","<i>N</i>-[(<i>E</i>)-4-Chlorobenzylidene]-2,4-dimethylaniline","Acta Crystallographica Section E","2011","67","8","o1932","","10.1107/S1600536811026109","","","0.71073","MoKα","","0.0336","0.0313","","","0.0766","0.0784","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231353","12.408","0.003","13.932","0.003","8.0951","0.0016","90","","102.41","0.03","90","","1366.7","0.5","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Aminoanilinium 6-carboxypicolinate monohydrate","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","1","XU5250","Wang, Yu-Tang; Gao, De-Jiang","2-Aminoanilinium 6-carboxypicolinate monohydrate","Acta Crystallographica Section E","2011","67","8","o1893","","10.1107/S1600536811025050","","","0.71073","MoKα","","0.0461","0.0402","","","0.1134","0.1172","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231401","12.142","0.002","12.129","0.002","27.446","0.006","90","","99.387","0.002","90","","3987.9","1.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,1'-(2,5-Dimethylthiophene-3,4-diyl)diethanone","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C160 H192 O32 S16 -","16","4","BT5559","Li, Chengpeng; Qi, Qiaozheng; Wang, Sheng; Ding, Guohua","1,1'-(2,5-Dimethylthiophene-3,4-diyl)diethanone","Acta Crystallographica Section E","2011","67","9","o2219","","10.1107/S1600536811029710","","","0.71073","MoKα","","0.0758","0.0432","","","0.08","0.0915","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231413","17.666","0.004","11.992","0.002","13.122","0.003","90","","120.96","0.03","90","","2383.8","1.1","223.15","","223.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')copper(II) ethane-1,2-diol monosolvate","","- C26 H22 Cu N4 O6 S -","- C26 H22 Cu N4 O6 S -","- C104 H88 Cu4 N16 O24 S4 -","4","1","BT5595","Zhong, Kai-Long","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) ethane-1,2-diol monosolvate","Acta Crystallographica Section E","2011","67","9","m1215","m1216","10.1107/S1600536811031175","","","0.71073","MoKα","","0.0417","0.0392","","","0.0995","0.1015","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231463","14.5359","0.0011","14.7543","0.0011","39.771","0.003","90","","97.616","0.002","90","","8454.3","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","6,7,6',7'-Tetraphenyl-2,2'-bi[1,3-dithia-5,8- diazacyclopenta[<i>b</i>]naphthalenylidene] chloroform disolvate","2-{6,7-dimethyl-2<i>H</i>-[1,3]dithiolo[4,5-<i>g</i>]quinoxalin-2-ylidene}- 6,7-dimethyl-2<i>H</i>-[1,3]dithiolo[4,5-<i>g</i>]quinoxaline","","- C44 H26 Cl6 N4 S4 -","- C44 H26 Cl6 N4 S4 -","- C352 H208 Cl48 N32 S32 -","8","2","DS2113","Bolligarla, Ramababu; Durgaprasad, Gummadi; Das, Samar K.","6,7,6',7'-Tetraphenyl-2,2'-bi[1,3-dithia-5,8-diazacyclopenta[<i>b</i>]naphthalenylidene] chloroform disolvate","Acta Crystallographica Section E","2011","67","9","o2231","o2232","10.1107/S1600536811029540","","","0.71073","MoKα","","0.0436","0.0422","","","0.1076","0.1085","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231684","9.9694","0.0003","19.8196","0.0006","9.6013","0.0003","90","","112.718","0.001","90","","1749.93","0.09","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-{Hydroxy[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]methyl}acrylonitrile","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","RK2289","Prasanna, C. M. Sai; Sethusankar, K.; Rajesh, R.; Raghunathan, R.","2-{Hydroxy[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]methyl}acrylonitrile","Acta Crystallographica Section E","2011","67","9","o2340","","10.1107/S1600536811032247","","","0.71073","MoKα","","0.0496","0.0376","","","0.0923","0.1004","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231799","12.7","0.003","21.447","0.004","9.114","0.0018","90","","95.84","0.03","90","","2469.6","0.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)cobalt(II) hydrogen phosphate","","- C18 H19 Co N12 O4 P -","- C18 H19 Co N12 O4 P -","- C72 H76 Co4 N48 O16 P4 -","4","1","AA2021","Liang, Zhiqiang; Wang, Fuxiang; Wu, Qihui; Zhi, Xia; Pan, Qinhe","Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)cobalt(II) hydrogen phosphate","Acta Crystallographica Section E","2011","67","10","m1399","","10.1107/S1600536811037299","","","0.71073","MoKα","","0.1428","0.0765","","","0.1303","0.1519","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231823","8.9721","0.0007","21.7653","0.0019","7.3725","0.0005","90","","120.214","0.005","90","","1244.12","0.18","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,4-Dimethyl-2-phenyl-6,7-dihydro-1<i>H</i>-pyrazolo[4,3-<i>b</i>]pyridine- 3,5(2<i>H</i>,4<i>H</i>)-dione","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","BT5636","Weisser, Marc; Schollmeyer, Dieter; Laufer, Stefan","1,4-Dimethyl-2-phenyl-6,7-dihydro-1<i>H</i>-pyrazolo[4,3-<i>b</i>]pyridine-3,5(2<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","10","o2586","","10.1107/S1600536811036233","","","0.71073","MoKα","","0.0294","0.0273","","","0.0696","0.0707","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231831","14.1489","0.0019","8.1786","0.0011","8.6931","0.0012","90","","107.129","0.002","90","","961.3","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","4-(aminosulfonyl)anilinium nitrate","4-Sulfamoylanilinium nitrate","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","BT5645","Pandiarajan, S.; Balasubramanian, S.; Ravikumar, B.; Athimoolam, S.","4-Sulfamoylanilinium nitrate","Acta Crystallographica Section E","2011","67","10","o2788","","10.1107/S1600536811038827","","","0.71073","MoKα","","0.025","0.0249","","","0.0613","0.0613","","","","","","1.145","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231832","13.7683","0.0005","16.2557","0.0003","9.7945","0.0004","90","","127.546","0.006","90","","1738.07","0.17","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Amino-1-(4-bromophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C22 H14 Br N3 -","- C22 H14 Br N3 -","- C88 H56 Br4 N12 -","4","1","BT5646","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Ng, Seik Weng","3-Amino-1-(4-bromophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2011","67","10","o2745","","10.1107/S1600536811038517","","","1.54184","CuKα","","0.0206","0.0205","","","0.0555","0.0556","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231918","11.7941","0.0003","8.1725","0.0001","15.3982","0.0003","90","","108.298","0.002","90","","1409.14","0.05","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Diiodido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)","","- C12 H6 Hg I2 N2 O2 -","- C12 H6 Hg I2 N2 O2 -","- C48 H24 Hg4 I8 N8 O8 -","4","1","HG5098","Ghaemi, Akbar; Shojaiean, Rezvan; Ng, Seik Weng; Tiekink, Edward R. T.","Diiodido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)","Acta Crystallographica Section E","2011","67","10","m1449","m1450","10.1107/S1600536811038748","","","0.71073","MoKα","","0.0228","0.0221","","","0.0489","0.0493","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231996","10.1306","0.0015","27.673","0.004","20.201","0.003","90","","94.61","0.004","90","","5644.9","1.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>trans</i>-Carbonylchloridobis[tris(naphthalen-1-yl)phosphane- κ<i>P</i>]rhodium(I) acetone trisolvate","","- C70 H60 Cl O4 P2 Rh -","- C70 H60 Cl O4 P2 Rh -","- C280 H240 Cl4 O16 P8 Rh4 -","4","1","MW2021","Meijboom, Reinout","<i>trans</i>-Carbonylchloridobis[tris(naphthalen-1-yl)phosphane-κ<i>P</i>]rhodium(I) acetone trisolvate","Acta Crystallographica Section E","2011","67","10","m1438","","10.1107/S1600536811038505","","","0.71073","MoKα","","0.0616","0.0464","","","","0.0976","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232180","18.8627","0.0009","13.5779","0.0007","8.9535","0.0004","90","","101.403","0.001","90","","2247.87","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexaaquacobalt(II) bis(2,2'-sulfanediyldiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobaltate(II) tetrahydrate","","- C8 H28 Co2 O18 S2 -","- C8 H28 Co2 O18 S2 -","- C32 H112 Co8 O72 S8 -","4","1","BT5666","Wang, Huang; Gao, Shan; Ng, Seik Weng","Hexaaquacobalt(II) bis(2,2'-sulfanediyldiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobaltate(II) tetrahydrate","Acta Crystallographica Section E","2011","67","11","m1521","","10.1107/S1600536811040979","","","0.71073","MoKα","","0.0277","0.0257","","","0.0644","0.067","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232215","21.165","0.005","10.609","0.003","15.641","0.004","90","","130.484","0.004","90","","2671.2","1.2","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-(azido-κ<i>N</i>)bis(methanol- κ<i>O</i>)-μ~3~-oxido-trichromium(III) methanol monosolvate","","- C15 H30 Cr3 N3 O16 -","- C15 H30 Cr3 N3 O16 -","- C60 H120 Cr12 N12 O64 -","4","1","DS2137","Jiang, Guo-Qing; Li, Jian-Hua; Wang, Miao; Shi, Yu-Jun","Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-(azido-κ<i>N</i>)bis(methanol-κ<i>O</i>)-μ~3~-oxido-trichromium(III) methanol monosolvate","Acta Crystallographica Section E","2011","67","11","m1483","","10.1107/S1600536811039699","","","0.71073","MoKα","","0.0704","0.0586","","","0.127","0.1299","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232235","14.5439","0.0003","17.5881","0.0004","7.7104","0.0002","90","","114.777","0.001","90","","1790.76","0.07","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>-Dimethylethane-1,2-diaminium bis(3-hydroxybenzoate)","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","1","FJ2425","Sarkar, Anindita; Cukrowski, Ignacy","<i>N</i>,<i>N</i>-Dimethylethane-1,2-diaminium bis(3-hydroxybenzoate)","Acta Crystallographica Section E","2011","67","11","o2901","","10.1107/S1600536811040578","","","0.71073","MoKα","","0.0474","0.0364","","","0.0729","0.0773","","","","","","0.96","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232299","7.0407","0.0007","15.5775","0.0016","13.6244","0.0012","90","","101.491","0.002","90","","1464.3","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","2,3-Diaminopyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C48 H60 N12 O28 S4 -","4","1","HB6457","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2011","67","11","o3122","","10.1107/S160053681104445X","","","0.71073","MoKα","","0.0356","0.0326","","","0.0852","0.0874","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232366","13.384","0.003","13.892","0.003","11.349","0.002","90","","101.953","0.003","90","","2064.4","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-({(<i>E</i>)-[2-(But-3-en-1-yl)-1-(prop-2-en-1-yl)-4-sulfanyl- 1<i>H</i>-imidazol-5-yl]methylidene}amino)-3-phenyl-1<i>H</i>- 1,2,4-triazole-5(4<i>H</i>)-thione","","- C19 H20 N6 S2 -","- C19 H20 N6 S2 -","- C76 H80 N24 S8 -","4","1","KJ2187","Natarajan, Sampath; Mathews, Rita","4-({(<i>E</i>)-[2-(But-3-en-1-yl)-1-(prop-2-en-1-yl)-4-sulfanyl-1<i>H</i>-imidazol-5-yl]methylidene}amino)-3-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","11","o2828","","10.1107/S1600536811039833","","","0.71073","MoKα","","0.0592","0.0531","","","0.1348","0.1394","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232530","12.215","0.0011","20.864","0.002","12.108","0.0012","90","","90.528","0.001","90","","3085.6","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)nickel(II) dinitrate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C21 H25 N15 Ni O7 -","- C21 H25 N15 Ni O7 -","- C84 H100 N60 Ni4 O28 -","4","1","ZK2032","Qiu, Qi-Ming; Yang, Wei; Li, Zhong-Feng; Jin, Qiong-Hua; Zhang, Cun-Lin","Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)nickel(II) dinitrate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","11","m1589","m1590","10.1107/S1600536811043030","","","0.71073","MoKα","","0.1911","0.1093","","","0.2433","0.2764","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232793","10.0241","0.0011","16.1355","0.0016","9.4308","0.0013","90","","92.05","0.006","90","","1524.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-brmotertiarybutylsalicylidene-2-aminopyridine","2-Bromo-4-<i>tert</i>-butyl-6-[(pyridin-2-ylimino)methyl]phenol","","- C16 H17 Br N2 O -","- C16 H17 Br N2 O -","- C64 H68 Br4 N8 O4 -","4","1","IM2341","Balasubramani, V.; Vinuchakkaravarthy, T.; Gopi, Sreeraj; Narasimhan, S.; Velmurugan, D.","2-Bromo-4-<i>tert</i>-butyl-6-[(pyridin-2-ylimino)methyl]phenol","Acta Crystallographica Section E","2011","67","12","o3483","","10.1107/S1600536811050148","","","0.71073","MoKα","","0.0441","0.0333","","","0.0757","0.0805","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232830","24.941","0.002","3.8306","0.0006","15.0868","0.0014","90","","126.116","0.014","90","","1164.4","0.3","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-bromo-<i>N</i>^3^-[(<i>E</i>)-(6-bromopyridin-2-yl)methylidene]pyridine- 3,4-diamine","","- C11 H8 Br2 N4 -","- C11 H8 Br2 N4 -","- C44 H32 Br8 N16 -","4","1","LD2030","Cai, Mingjian","5-Bromo-<i>N</i>^3^-[(<i>E</i>)-(6-bromopyridin-2-yl)methylidene]pyridine-3,4-diamine","Acta Crystallographica Section E","2011","67","12","o3402","","10.1107/S1600536811047702","","","0.71073","MoKα","","0.0312","0.0292","","","0.0544","0.0546","","","","","","0.886","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232856","16.6548","0.0015","12.9238","0.0012","32.936","0.003","90","","90.126","0.001","90","","7089.2","1.1","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","[1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) perchlorate","","- C39 H34 Cl Cu N2 O4 P2 -","- C39 H34 Cl Cu N2 O4 P2 -","- C312 H272 Cl8 Cu8 N16 O32 P16 -","8","2","LR2032","Xiao, Ye-Lan; Zhou, Li-Li; Gao, Sen; Jin, Qiong-Hua; Zhang, Cun-Lin","[1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) perchlorate","Acta Crystallographica Section E","2011","67","12","m1713","m1714","10.1107/S160053681104606X","","","0.71073","MoKα","","0.0513","0.038","","","0.07","0.0741","","","","","","0.908","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233030","11.2296","0.0004","8.1905","0.0004","11.1","0.0005","90","","102.223","0.002","90","","997.79","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-(2-Hydroxybenzylidene)-2-(hydroxyimino)propanohydrazide","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C40 H44 N12 O12 -","4","1","YK2025","Plutenko, Maxym O.; Lampeka, Rostyslav D.; Moroz, Yurii S.; Haukka, Matti; Pavlova, Svetlana V.","<i>N</i>'-(2-Hydroxybenzylidene)-2-(hydroxyimino)propanohydrazide","Acta Crystallographica Section E","2011","67","12","o3282","o3283","10.1107/S1600536811045818","","","0.71073","MoKα","","0.03","0.0287","","","0.0845","0.0858","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233033","21.8874","0.0005","14.461","0.0003","15.2818","0.0003","90","","123.898","0.001","90","","4014.78","0.15","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[1,4-Phenylenebis(methylene)]bis(triphenylphosphonium) bis(tetrafluoroborate)","","- C44 H38 B2 F8 P2 -","- C44 H38 B2 F8 P2 -","- C176 H152 B8 F32 P8 -","4","1","YK2028","Ibrahim, Hamisu; Koorbanally, Neil; Ramjugernath, Deresh; Bala, Muhammad D.; Nyamori, Vincent O.","[1,4-Phenylenebis(methylene)]bis(triphenylphosphonium) bis(tetrafluoroborate)","Acta Crystallographica Section E","2011","67","12","o3391","","10.1107/S1600536811048975","","","0.71073","MoKα","","0.0608","0.0458","","","0.1074","0.1134","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233068","8.636","0.002","12.728","0.003","15.688","0.004","90","","103.218","0.004","90","","1678.7","0.7","98","2","98","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Aminobenzoic acid‒4-(pyridin-4-yldisulfanyl)pyridine (1/1)","","- C17 H15 N3 O2 S2 -","- C17 H15 N3 O2 S2 -","- C68 H60 N12 O8 S8 -","4","1","ZS2162","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","2-Aminobenzoic acid‒4-(pyridin-4-yldisulfanyl)pyridine (1/1)","Acta Crystallographica Section E","2011","67","12","o3361","","10.1107/S1600536811048483","","","0.71073","MoKα","","0.0308","0.0305","","","0.0777","0.078","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233116","7.078","0.003","29.1953","0.0016","7.3013","0.001","90","","106.521","0.003","90","","1446.5","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Fluoro-<i>N</i>'-[(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","","- C18 H13 F N2 O2 -","- C18 H13 F N2 O2 -","- C72 H52 F4 N8 O8 -","4","1","CV5206","Wang, Dong-Yue; Meng, Xu-Feng; Ma, Jing-Jun","2-Fluoro-<i>N</i>'-[(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","1","o21","","10.1107/S1600536811050896","","","0.71073","MoKα","","0.0798","0.0461","","","0.1108","0.1331","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233187","3.7685","0.0002","27.3441","0.0017","10.1294","0.0008","90","","96.2","0.03","90","","1037.69","0.13","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-Amino-1-(4-nitrophenyl)-1<i>H</i>-pyrazole-3-carbonitrile","","- C10 H7 N5 O2 -","- C10 H7 N5 O2 -","- C40 H28 N20 O8 -","4","1","HG5146","Jiang, Qiang-Hua; He, Qiu; Zhang, Jian-Qiang; Yang, Yang; Wan, Rong","5-Amino-1-(4-nitrophenyl)-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2012","68","1","o65","","10.1107/S1600536811052147","","","0.71073","MoKα","","0.0543","0.0483","","","0.1165","0.1228","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233246","15.889","0.003","3.8242","0.0008","18.204","0.004","90","","108.18","0.03","90","","1050.9","0.4","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>Z</i>)-Methyl 3-(2,4-dichlorophenyl)-3-hydroxyacrylate","","- C10 H8 Cl2 O3 -","- C10 H8 Cl2 O3 -","- C40 H32 Cl8 O12 -","4","1","LR2037","Xu, Le-Xing; Bai, Xiao-Guang; Wang, Ju-Xian; Wang, Yu-Cheng","(<i>Z</i>)-Methyl 3-(2,4-dichlorophenyl)-3-hydroxyacrylate","Acta Crystallographica Section E","2012","68","1","o4","","10.1107/S1600536811051014","","","0.71073","MoKα","","0.0379","0.0343","","","0.0838","0.0855","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233336","19.481","0.002","12.0745","0.0013","10.4393","0.0011","90","","115.006","0.002","90","","2225.4","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 2-diethylamino-4-oxo-3,5-diphenyl-4,5-dihydro-3<i>H</i>- pyrrolo[3,2-<i>d</i>]pyrimidine-7-carboxylate","","- C25 H26 N4 O3 -","- C25 H26 N4 O3 -","- C100 H104 N16 O12 -","4","1","YK2034","Gao, Hai-Tao; Li, Li; Ye, Fang; Hu, Yang-Gen","Ethyl 2-diethylamino-4-oxo-3,5-diphenyl-4,5-dihydro-3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidine-7-carboxylate","Acta Crystallographica Section E","2012","68","1","o118","","10.1107/S1600536811052883","","","0.71073","MoKα","","0.0542","0.0457","","","0.0995","0.1044","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233438","6.5169","0.0011","11.245","0.002","9.7575","0.0017","90","","105.284","0.003","90","","689.8","0.2","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cerium(III) dihydroxidohexaoxidotetraborate chloride","","- B4 Ce Cl H2 O8 -","- B4 Ce Cl H2 O8 -","- B16 Ce4 Cl4 H8 O32 -","4","1","FJ2495","Sun, Wei; Zhao, Biao-Chun; Huang, Ya-Xi; Mi, Jin-Xiao","Cerium(III) dihydroxidohexaoxidotetraborate chloride","Acta Crystallographica Section E","2012","68","2","i17","","10.1107/S1600536812002875","","","0.71073","MoKα","","0.0204","0.0203","","","0.0507","0.0508","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233668","15.284","0.0009","9.269","0.002","12.165","0.0011","90","0.001","98.279","0.009","90","0.003","1705.4","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetramethylammonium dimethyl (phenylsulfonylamido)phosphate(1-)","","- C12 H23 N2 O5 P S -","- C12 H23 N2 O5 P S -","- C48 H92 N8 O20 P4 S4 -","4","1","WN2457","Trush, Elizaveta A.; Shishkin, Oleg V.; Trush, Victor A.; Konovalova, Irina S.; Sliva, Tetyana Yu.","Tetramethylammonium dimethyl (phenylsulfonylamido)phosphate(1{-})","Acta Crystallographica Section E","2012","68","2","o273","","10.1107/S1600536811055024","","","0.71073","MoKα","","0.0647","0.0324","","","0.0582","0.0627","","","","","","0.774","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233699","9.2722","0.0005","21.4148","0.0015","16.5695","0.0008","90","","95.2","0.004","90","","3276.5","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetracarbonyl[bis(diphenylphosphanyl)tetramethyldisiloxane- κ^2^<i>P</i>,<i>P</i>']chromium(0)","","- C32 H32 Cr O5 P2 Si2 -","- C32 H32 Cr O5 P2 Si2 -","- C128 H128 Cr4 O20 P8 Si8 -","4","1","YK2038","Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Tetracarbonyl[bis(diphenylphosphanyl)tetramethyldisiloxane-κ^2^<i>P</i>,<i>P</i>']chromium(0)","Acta Crystallographica Section E","2012","68","2","m119","","10.1107/S1600536812000219","","","0.71073","MoKα","","0.0533","0.0347","","","0.0564","0.0593","","","","","","0.786","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233787","22.8275","0.0005","12.9547","0.0003","10.1512","0.0003","90","","92.095","0.002","90","","2999.94","0.13","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']]","","- C28 H32 Cl2 Hg N2 O4 S -","- C28 H32 Cl2 Hg N2 O4 S -","- C112 H128 Cl8 Hg4 N8 O16 S4 -","4","1","FI2124","Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Grosjean, Arnaud; Guionneau, Philippe","<i>catena</i>-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']]","Acta Crystallographica Section E","2012","68","3","m340","","10.1107/S1600536812006927","","","0.71073","MoKα","","0.0467","0.0455","","","0.1189","0.1211","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233798","8.1578","0.0003","11.8183","0.0005","10.8526","0.0006","90","","103.869","0.002","90","","1015.81","0.08","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichloridobis(thiourea-κ<i>S</i>)nickel(II)","","- C2 H8 Cl2 N4 Ni S2 -","- C2 H8 Cl2 N4 Ni S2 -","- C8 H32 Cl8 N16 Ni4 S8 -","4","1","FJ2518","Zouihri, Hafid","Dichloridobis(thiourea-κ<i>S</i>)nickel(II)","Acta Crystallographica Section E","2012","68","3","m314","","10.1107/S1600536812006174","","","0.71073","MoKα","","0.0167","0.0165","","","0.0448","0.0449","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233816","5.4204","0.0002","11.3319","0.0004","19.8771","0.0007","90","","96.609","0.003","90","","1212.81","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>tert</i>-Butyl 2-(1<i>H</i>-benzimidazol-1-yl)acetate","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","GK2453","N. Al-Mohammed, Nassir; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","<i>tert</i>-Butyl 2-(1<i>H</i>-benzimidazol-1-yl)acetate","Acta Crystallographica Section E","2012","68","3","o571","","10.1107/S1600536812002814","","","0.71073","MoKα","","0.0426","0.0343","","","0.0724","0.0764","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233830","9.7093","0.0007","35.796","0.003","8.034","0.0006","90","","118.23","0.001","90","","2460.1","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethylbenzimidazolium) dibromide","","- C26 H28 Br2 N4 -","- C26 H28 Br2 N4 -","- C104 H112 Br8 N16 -","4","1","HB6611","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Budagumpi, Srinivasa; Hemamalini, Madhukar; Fun, Hoong-Kun","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethylbenzimidazolium) dibromide","Acta Crystallographica Section E","2012","68","3","o573","","10.1107/S1600536812002802","","","0.71073","MoKα","","0.0511","0.0331","","","0.0743","0.0804","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233865","16.1006","0.0006","14.2182","0.0005","11.4641","0.0004","90","","92.44","0.004","90","","2622","0.16","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(<i>E</i>)-(4- hydroxybenzylidene)amino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C26 H36 N6 O S -","- C26 H36 N6 O S -","- C104 H144 N24 O4 S4 -","4","1","HG5175","El-Emam, Ali A.; Alrashood, Khalid A.; Al-Tamimi, Abdul-Malek S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(<i>E</i>)-(4-hydroxybenzylidene)amino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","3","o657","o658","10.1107/S1600536812005107","","","0.71073","MoKα","","0.0471","0.039","","","0.0935","0.1002","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233955","5.8472","0.0001","80.3936","0.0009","8.6219","0.0001","90","","103.292","0.001","90","","3944.39","0.09","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Benzyl-<i>N</i>-methylpiperazine-1-carbothioamide","","- C13 H19 N3 S -","- C13 H19 N3 S -","- C156 H228 N36 S12 -","12","3","PK2388","Alanazi, Amer M.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Benzyl-<i>N</i>-methylpiperazine-1-carbothioamide","Acta Crystallographica Section E","2012","68","3","o712","o713","10.1107/S1600536812005685","","","1.54184","CuKα","","0.032","0.032","","","0.0868","0.0868","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234276","8.9669","0.0012","18.784","0.002","7.8288","0.001","90","","99.684","0.003","90","","1299.8","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl 4-fluorobenzoate","","- C13 H12 F N3 O4 -","- C13 H12 F N3 O4 -","- C52 H48 F4 N12 O16 -","4","1","IS5064","Yousuf, Sammer; Zeb, Aurang; Basha, Fatima Z.","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl 4-fluorobenzoate","Acta Crystallographica Section E","2012","68","4","o952","","10.1107/S1600536812006319","","","0.71073","MoKα","","0.0329","0.032","","","0.0877","0.0883","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234596","19.2249","0.0013","13.2036","0.0007","7.7468","0.0005","90","","101.079","0.007","90","","1929.8","0.2","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(5-amino-3-carboxy-1<i>H</i>-1,2,4-triazol-4-ium) dihydrogenphosphate nitrate 5-amino-1<i>H</i>-1,2,4-triazol-4-ium-3-carboxylate","","- C9 H16 N13 O13 P -","- C9 H16 N13 O13 P -","- C36 H64 N52 O52 P4 -","4","1","FJ2538","Berrah, Fadila; Bouchene, Rafika; Bouacida, Sofiane; Daran, Jean-Claude","Bis(5-amino-3-carboxy-1<i>H</i>-1,2,4-triazol-4-ium) dihydrogenphosphate nitrate 5-amino-1<i>H</i>-1,2,4-triazol-4-ium-3-carboxylate","Acta Crystallographica Section E","2012","68","5","o1333","o1334","10.1107/S1600536812014481","","","0.71073","MoKα","","0.0276","0.0268","","","0.0662","0.0672","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234617","11.572","0.002","22.82","0.005","8.5426","0.0017","90","","117.03","0.03","90","","2009.5","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis(cyclohexylammonium) terephthalate","","- C20 H32 N2 O4 -","- C20 H32 N2 O4 -","- C80 H128 N8 O16 -","4","1","HB6690","Han, Meng Ting","Bis(cyclohexylammonium) terephthalate","Acta Crystallographica Section E","2012","68","5","o1579","","10.1107/S1600536812017035","","","0.71073","MoKα","","0.1798","0.084","","","0.139","0.1708","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234775","16.005","0.003","18.953","0.004","14.811","0.003","90","","120.08","0.03","90","","3887.7","1.8","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(4-Chlorophenyl)-4-methoxy-3-(propanamido)benzamide cyclohexane hemisolvate","","- C20 H23 Cl N2 O3 -","- C20 H23 Cl N2 O3 -","- C160 H184 Cl8 N16 O24 -","8","2","RN2093","Zhong, Zhaojin; Li, Zhuorong; Gong, Ningbo; Li, Yanping","<i>N</i>-(4-Chlorophenyl)-4-methoxy-3-(propanamido)benzamide cyclohexane hemisolvate","Acta Crystallographica Section E","2012","68","5","o1480","","10.1107/S1600536812016480","","","1.54178","CuKα","","0.0457","0.0439","","","0.1333","0.1385","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234893","16.75","0.002","9.7334","0.0013","19.385","0.003","90","","111.669","0.003","90","","2937.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[dicyclohexyl(2,6- diisopropylphenyl)phosphane-κ<i>P</i>]rhodium(I)","","- C30 H46 O3 P Rh -","- C30 H46 O3 P Rh -","- C120 H184 O12 P4 Rh4 -","4","1","AA2053","Davis, Wade L.; Mathobela, Sfiso D.; Meijboom, Reinout","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[dicyclohexyl(2,6-diisopropylphenyl)phosphane-κ<i>P</i>]rhodium(I)","Acta Crystallographica Section E","2012","68","6","m737","","10.1107/S1600536812018831","","","0.71073","MoKα","","0.0482","0.0428","","","","0.105","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234918","13.0439","0.0006","12.8557","0.0008","15.1294","0.0007","90","","110.191","0.005","90","","2381.1","0.2","170","2","170","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)nickel(II)","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C96 H80 N40 Ni4 -","4","1","BT5887","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","6","m745","","10.1107/S1600536812019691","","","0.71073","MoKα","","0.0476","0.0359","","","0.085","0.0919","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235065","26.267","0.0004","26.3371","0.0004","15.9037","0.0003","90","","111.871","0.0019","90","","10210.2","0.3","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[2-(4-Hydroxyphenyl)ethyl]-3-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C416 H544 N96 O64 -","32","8","HG5217","Öztürk Yildirim, Sema; Butcher, Ray J.; Ünlüer, Dilek; Köysal, Yavuz","4-[2-(4-Hydroxyphenyl)ethyl]-3-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1651","o1652","10.1107/S1600536812019447","","","1.54184","CuKα","","0.0435","0.0397","","","0.1045","0.1084","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235124","9.586","0.0019","26.01","0.005","7.139","0.0014","90","","112.04","0.03","90","","1649.9","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(4-Bromophenyl)-3,4,5-trimethoxybenzamide","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C64 H64 Br4 N4 O16 -","4","1","KP2410","Gu, Wen; Qiao, Chao","<i>N</i>-(4-Bromophenyl)-3,4,5-trimethoxybenzamide","Acta Crystallographica Section E","2012","68","6","o1658","","10.1107/S1600536812018946","","","0.71073","MoKα","","0.0683","0.0447","","","0.0862","0.0944","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235179","11.7578","0.0005","11.8071","0.0005","25.1339","0.0018","90","","91.858","0.006","90","","3487.4","0.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Phenyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C144 H128 N32 S16 -","16","4","NK2157","Owczarzak, Anita M.; Kubicki, Maciej","4-Phenyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","6","o1686","","10.1107/S1600536812020090","","","0.71073","MoKα","","0.0823","0.0646","","","0.1524","0.1646","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235270","38.68","0.02","12.3","0.007","9.975","0.005","90","","101.263","0.007","90","","4654","4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)benzamide","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C204 H288 N24 O12 -","12","3","VM2165","Lv, Diya; Cao, Yan; Dong, Xin; Lou, Ziyang; Chai, Yifeng","4-Methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)benzamide","Acta Crystallographica Section E","2012","68","6","o1781","","10.1107/S1600536812017795","","","0.71073","MoKα","","0.0841","0.0508","","","0.1235","0.1505","","","","","","0.958","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235277","16.86","0.003","16.63","0.003","16.22","0.003","90","","105.41","0.03","90","","4384.3","1.5","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Dichloridobis[ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate-κ^2^<i>O</i>,<i>N</i>^3^]cadmium","","- C14 H20 Cd Cl2 N4 O4 S2 -","- C14 H20 Cd Cl2 N4 O4 S2 -","- C112 H160 Cd8 Cl16 N32 O32 S16 -","8","2","VN2035","Zhang, Lai-Jun; Chen, Fa-Yun; Liu, Guang-Yi; Chen, Xiao; Chen, Zhi-Feng","Dichloridobis[ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate-κ^2^<i>O</i>,<i>N</i>^3^]cadmium","Acta Crystallographica Section E","2012","68","6","m788","m789","10.1107/S1600536812021976","","","0.71073","MoKα","","0.0239","0.0215","","","0.0473","0.0483","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235434","20.1842","0.0018","5.738","0.0005","15.5771","0.0014","90","","108.357","0.001","90","","1712.3","0.3","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>c</i>-5-Hydroxy-<i>r</i>-2,<i>c</i>-4-bis(methoxycarbonyl)- <i>t</i>-5-methyl-<i>t</i>-3-(3-nitrophenyl)cyclohexanone","","- C17 H19 N O8 -","- C17 H19 N O8 -","- C68 H76 N4 O32 -","4","1","GO2056","Rizwana Begum, S.; Hema, R.; Pandiarajan, K.; Balasubramanian, Sridhar; Anitha, A.G.","<i>c</i>-5-Hydroxy-<i>r</i>-2,<i>c</i>-4-bis(methoxycarbonyl)-<i>t</i>-5-methyl-<i>t</i>-3-(3-nitrophenyl)cyclohexanone","Acta Crystallographica Section E","2012","68","7","o2213","","10.1107/S1600536812027377","","","0.71073","MoKα","","0.0448","0.0437","","","0.1115","0.1124","","","","","","1.166","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235438","24.488","0.007","6.645","0.002","13.108","0.004","90","","97.16","0.02","90","","2116.3","1.1","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(<i>Z</i>)-4-Chloro-<i>N</i>-(1-{2-[3-(4- chlorobenzoyl)ureido]ethyl}imidazolidin-2-ylidene)benzamide","","- C20 H19 Cl2 N5 O2 S -","- C20 H19 Cl2 N5 O2 S -","- C80 H76 Cl8 N20 O8 S4 -","4","1","GO2061","Adan, Dalina; Sapari, Suhaila; Halim, Siti Nadiah; Yamin, Bohari M.","(<i>Z</i>)-4-Chloro-<i>N</i>-(1-{2-[3-(4-chlorobenzoyl)ureido]ethyl}imidazolidin-2-ylidene)benzamide","Acta Crystallographica Section E","2012","68","7","o2226","","10.1107/S1600536812028218","","","0.71073","MoKα","","0.068","0.0399","","","0.0788","0.09","","","","","","0.933","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235479","25.0594","0.0004","4.6718","0.0001","12.6166","0.0002","90","","99.175","0.001","90","","1458.16","0.05","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]-1-benzofuran-2-carbohydrazide monohydrate","","- C16 H13 Br N2 O3 -","- C16 H13 Br N2 O3 -","- C64 H52 Br4 N8 O12 -","4","1","HB6850","Fun, Hoong-Kun; Quah, Ching Kheng; Nitinchandra; Kalluraya, Balakrishna; Babu, M.","<i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]-1-benzofuran-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2121","","10.1107/S1600536812026724","","","0.71073","MoKα","","0.0245","0.0214","","","0.0476","0.0484","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235522","24.6121","0.0015","4.6625","0.0003","12.657","0.0008","90","","99.294","0.001","90","","1433.37","0.16","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-1-benzofuran-2-carbohydrazide monohydrate","","- C16 H13 Cl N2 O3 -","- C16 H13 Cl N2 O3 -","- C64 H52 Cl4 N8 O12 -","4","1","IS5157","Fun, Hoong-Kun; Quah, Ching Kheng; Nitinchandra; Kalluraya, Balakrishna; Babu, M.","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-1-benzofuran-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2163","","10.1107/S1600536812027523","","","0.71073","MoKα","","0.0283","0.0275","","","0.072","0.0728","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235536","6.2272","0.0002","18.1729","0.0007","14.3213","0.0005","90","","102.118","0.004","90","","1584.58","0.1","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>-Bis(pyridin-2-ylmethyl)cyclohexanamine","","- C18 H23 N3 -","- C18 H23 N3 -","- C72 H92 N12 -","4","1","LD2063","Akerman, Matthew P.; Chipangura, Mathias; Mambanda, Allen; Jaganyi, Deogratius","<i>N</i>,<i>N</i>-Bis(pyridin-2-ylmethyl)cyclohexanamine","Acta Crystallographica Section E","2012","68","7","o2194","o2195","10.1107/S1600536812027572","","","0.71073","MoKα","","0.0471","0.0381","","","0.0827","0.0853","","","","","","0.976","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235555","25.901","0.003","6.2097","0.0007","8.608","0.0009","90","","103.258","0.009","90","","1347.6","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","6-Nicotinamido-2-naphthoic acid","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","MW2071","Song, Yun-Sung; Lee, Soon W.","6-Nicotinamido-2-naphthoic acid","Acta Crystallographica Section E","2012","68","7","o1978","","10.1107/S1600536812024051","","","0.71073","MoKα","","0.0362","0.0336","","","0.0903","0.0921","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235569","9.0683","0.0019","13.5177","0.0016","10.9203","0.0017","90","","94.042","0.014","90","","1335.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Amino-3-nitropyridinium 4-hydroxybenzenesulfonate","","- C11 H11 N3 O6 S -","- C11 H11 N3 O6 S -","- C44 H44 N12 O24 S4 -","4","1","PK2420","Lv, Yao-hui; Zhang, Wei; Liu, Hong","2-Amino-3-nitropyridinium 4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2169","","10.1107/S1600536812027651","","","0.71073","MoKα","","0.0234","0.0232","","","0.0627","0.0629","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235624","11.917","0.008","11.899","0.008","12.354","0.008","90","","108.22","0.005","90","","1664","1.9","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Aqua[1-(pyrazin-2-yl)ethanone oximato-κ^2^<i>N</i>,<i>N</i>'][1-(pyrazin-2-yl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>'](thiocyanato-κ<i>N</i>)nickel(II)","","- C13 H15 N7 Ni O3 S -","- C13 H15 N7 Ni O3 S -","- C52 H60 N28 Ni4 O12 S4 -","4","1","SU2441","Pang, Ting; Liu, Jia-Cheng; Sun, Zan; Xiao, Chao-Hu; Cao, Ping","Aqua[1-(pyrazin-2-yl)ethanone oximato-κ^2^<i>N</i>,<i>N</i>'][1-(pyrazin-2-yl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>'](thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","7","m883","","10.1107/S1600536812024622","","","0.71073","MoKα","","0.0213","0.0198","","","0.0446","0.0452","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235662","19.3119","0.0018","7.5303","0.0007","16.0769","0.0015","90","","100.912","0.002","90","","2295.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[<i>N</i>,<i>N</i>'-Bis(2,4,6-trimethylphenyl)ethane-1,2-diimine- κ^2^<i>N</i>,<i>N</i>']tetracarbonylchromium(0)","","- C24 H24 Cr N2 O4 -","- C24 H24 Cr N2 O4 -","- C96 H96 Cr4 N8 O16 -","4","1","WM2632","Landman, Marilé; Fraser, Roan; Pretorius, René; Prinsloo, Rohen; Liles, David C.; van Rooyen, Petrus H.","[<i>N</i>,<i>N</i>'-Bis(2,4,6-trimethylphenyl)ethane-1,2-diimine-κ^2^<i>N</i>,<i>N</i>']tetracarbonylchromium(0)","Acta Crystallographica Section E","2012","68","7","m930","","10.1107/S1600536812024786","","","0.71073","MoKα","","0.0293","0.0291","","","0.0743","0.0746","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235665","7.9865","0.0001","17.5031","0.0003","14.9484","0.0003","90","","105.406","0.001","90","","2014.53","0.06","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Dimethylammonium dichloridotriphenylstannate(IV)","","- C20 H23 Cl2 N Sn -","- C20 H23 Cl2 N Sn -","- C80 H92 Cl8 N4 Sn4 -","4","1","WM2636","Sow, Yaya; Diop, Libasse; Kociok-Kohn, Gabriele; Molloy, Kieran C.","Dimethylammonium dichloridotriphenylstannate(IV)","Acta Crystallographica Section E","2012","68","7","m1015","m1016","10.1107/S1600536812028905","","","0.71073","MoKα","","0.0229","0.0209","","","0.0443","0.0448","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235724","8.7711","0.0007","15.7261","0.0013","6.8539","0.0005","90","","117.455","0.002","90","","838.92","0.12","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Amino-5-methylpyridinium nitrate","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","ZS2211","Yan, Xingchen; Fan, Yuhua; Bi, Caifeng; Zuo, Jian; Zhang, Zhongyu","2-Amino-5-methylpyridinium nitrate","Acta Crystallographica Section E","2012","68","7","o2084","","10.1107/S1600536812025196","","","0.71073","MoKα","","0.0479","0.039","","","0.0984","0.1087","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235727","6.0428","0.0002","17.2269","0.0007","11.301","0.0004","90","","94.663","0.004","90","","1172.53","0.07","150","2","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-{[4-(Hydroxymethyl)piperidin-1-yl]methyl}phenol","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","ZS2215","Simões, M. C. R.; Landre, I. M. R.; Moreira, M. S.; Viegas, Jr, C.; Doriguetto, A. C.","4-{[4-(Hydroxymethyl)piperidin-1-yl]methyl}phenol","Acta Crystallographica Section E","2012","68","7","o2275","o2276","10.1107/S1600536812028838","","","0.71073","MoKα","","0.0388","0.0334","","","","0.0843","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236024","13.611","0.004","12.687","0.003","10.03","0.002","90","","132.694","0.012","90","","1273","0.6","295","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[(2-Hydroxybenzyl)amino]pyridinium nitrate","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","1","XU5582","Gao, Shan; Ng, Seik Weng","4-[(2-Hydroxybenzyl)amino]pyridinium nitrate","Acta Crystallographica Section E","2012","68","8","o2474","","10.1107/S1600536812031352","","","0.71073","MoKα","","0.0501","0.0426","","","0.1047","0.1161","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236052","10.969","0.0018","17.305","0.003","8.016","0.0013","90","","120.901","0.002","90","","1305.6","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Dimethylammonium 5-carboxy-2-(1-oxo-1λ^5^-pyridin-2-yl)-1<i>H</i>-imidazole-4-carboxylate","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","1","ZS2224","Dai, Chuntao; Nie, Jianhua; Lin, Yuehua; Wang, Jun","Dimethylammonium 5-carboxy-2-(1-oxo-1λ^5^-pyridin-2-yl)-1<i>H</i>-imidazole-4-carboxylate","Acta Crystallographica Section E","2012","68","8","o2600","","10.1107/S1600536812033557","","","0.71073","MoKα","","0.0458","0.0359","","","0.0792","0.0854","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236081","15.08","0.0004","14.0134","0.0004","8.2419","0.0002","90","","94.609","0.002","90","","1736.06","0.08","105","2","105","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-butoxy-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","BQ2373","Dilek, Nefise; Gunes, Bilal; Gup, Ramazan","4-Butoxy-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","9","o2763","","10.1107/S1600536812035921","","","0.71073","MoKα","","0.0435","0.0389","","","0.0975","0.1011","","","","","","0.934","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236122","5.1948","0.0004","12.8089","0.0009","18.682","0.001","90","","93.419","0.007","90","","1240.88","0.15","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Nitro-<i>N</i>-phenylbenzenesulfonamide","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C48 H40 N8 O16 S4 -","4","1","BT6832","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","4-Nitro-<i>N</i>-phenylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2872","","10.1107/S1600536812037798","","","0.71073","MoKα","","0.0431","0.0366","","","0.0809","0.0859","","","","","","1.204","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236191","11.29","0.002","16.171","0.003","8.5612","0.0014","90","","105.045","0.011","90","","1509.4","0.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Ethyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C17 H15 F O3 S -","- C17 H15 F O3 S -","- C68 H60 F4 O12 S4 -","4","1","FJ2589","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Ethyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2838","","10.1107/S1600536812036872","","","0.71073","MoKα","","0.0537","0.0415","","","0.0975","0.1054","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236232","21.1985","0.0017","11.4","0.0009","20.9346","0.0017","90","","106.588","0.002","90","","4848.6","0.7","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(2-Aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)bis[1,2- bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) hexafluoridophosphate","","- C54 H54 F6 N P5 Ru S -","- C54 H54 F6 N P5 Ru S -","- C216 H216 F24 N4 P20 Ru4 S4 -","4","1","GK2528","Igashira-Kamiyama, Asako; Tamura, Motoshi; Konno, Takumi","(2-Aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2012","68","11","m1432","","10.1107/S1600536812044273","","","0.71075","MoKα","","0.0689","0.0438","","","0.0918","0.1124","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236318","10.722","0.005","22.297","0.003","9.109","0.003","90","","123.57","0.006","90","","1814.5","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[(Phenylcarbamoyl)amino]butyl <i>N</i>-phenylcarbamate","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C72 H84 N12 O12 -","4","1","HG5248","Mohamed, Shaaban K.; Bogdanović, Goran A.; Akkurt, Mehmet; Abdelhamid, Antar A.; Younes, Sabry H. H.","2-[(Phenylcarbamoyl)amino]butyl <i>N</i>-phenylcarbamate","Acta Crystallographica Section E","2012","68","10","o2905","","10.1107/S1600536812038081","","","1.54184","CuKα","","0.0661","0.0517","","","0.1337","0.1545","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236355","5.6014","0.0008","26.246","0.004","11.0763","0.0016","90","","99.828","0.002","90","","1604.5","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>trans</i>-Dichloridobis(4-nitroaniline-κ<i>N</i>^1^)palladium(II)","","- C12 H12 Cl2 N4 O4 Pd -","- C12 H12 Cl2 N4 O4 Pd -","- C48 H48 Cl8 N16 O16 Pd4 -","4","1","HY2592","Feng, Tian-Jun","<i>trans</i>-Dichloridobis(4-nitroaniline-κ<i>N</i>^1^)palladium(II)","Acta Crystallographica Section E","2012","68","11","m1351","","10.1107/S1600536812042134","","","0.71073","MoKα","","0.0228","0.021","","","0.0629","0.0772","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236483","9.966","0.002","15.587","0.003","10.477","0.002","90","","91.6","0.03","90","","1626.9","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-[(Pyridin-3-yl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","MW2063","Zhou, Qin-Qin","1-[(Pyridin-3-yl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","9","o2614","","10.1107/S1600536812033363","","","0.71073","MoKα","","0.0738","0.0498","","","0.1081","0.1217","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236660","10.1077","0.0007","12.5703","0.0011","13.1586","0.0017","90","","102.886","0.01","90","","1629.8","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-5-iodobenzylidene)benzohydrazide methanol monosolvate","","- C15 H15 I N2 O4 -","- C15 H15 I N2 O4 -","- C60 H60 I4 N8 O16 -","4","1","TK5140","Mahboubi Anarjan, Parisa; Monfared, Hassan Hosseini; Arslan, N. Burcu; Kazak, Canan; Bikas, Rahman","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-5-iodobenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2698","","10.1107/S1600536812034848","","","0.71073","MoKα","","0.0383","0.0361","","","0.0864","0.0899","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236715","7.6268","0.0009","18.277","0.002","15.1626","0.0018","90","","96.948","0.002","90","","2098.1","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>cis</i>-Dibromidobis(2-phenylpyridine-κ<i>N</i>)platinum(II)","","- C22 H18 Br2 N2 Pt -","- C22 H18 Br2 N2 Pt -","- C88 H72 Br8 N8 Pt4 -","4","1","XU5600","Ha, Kwang","<i>cis</i>-Dibromidobis(2-phenylpyridine-κ<i>N</i>)platinum(II)","Acta Crystallographica Section E","2012","68","9","m1169","","10.1107/S160053681203471X","","","0.71073","MoKα","","0.0347","0.0276","","","0.0626","0.068","","","","","","1.036","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236722","27.1839","0.0015","10.2809","0.0005","18.7045","0.0011","90","","107.92","0.01","90","","4973.8","0.5","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'- dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione","","- C30 H27 F2 N3 O2 -","- C30 H27 F2 N3 O2 -","- C240 H216 F16 N24 O16 -","8","2","XU5607","Swamy, V. Rajni; Ramaswamy, S.; Srinivasan, N.; Kumar, R. Ranjith; Krishnakumar, R.V.","5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'-dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione","Acta Crystallographica Section E","2012","68","10","o2839","o2840","10.1107/S1600536812037245","","","0.71073","MoKα","","0.0564","0.0381","","","0.0907","0.1","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236788","12.1299","0.0008","18.9418","0.0008","7.7549","0.0004","90","","100.375","0.004","90","","1752.65","0.17","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-(4,5-Dimethyl-1,2-phenylene)bis(pyridine-2-carboxamide)","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","ZS2225","Van der Berg, Phillipus C. W.; Visser, Hendrik G.; Roodt, Andreas; Muller, Theunis J.","<i>N</i>,<i>N</i>'-(4,5-Dimethyl-1,2-phenylene)bis(pyridine-2-carboxamide)","Acta Crystallographica Section E","2012","68","9","o2739","","10.1107/S1600536812035064","","","0.71073","MoKα","","0.0415","0.0363","","","","0.0899","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236853","22.349","0.004","6.0328","0.001","7.3673","0.0012","90","","107.98","0.003","90","","944.8","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-[(4-Bromobenzylidene)amino]ethanol","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C36 H40 Br4 N4 O4 -","4","1","FB2276","Moodley, Vashen; Van Zyl, Werner E.","2-[(4-Bromobenzylidene)amino]ethanol","Acta Crystallographica Section E","2012","68","12","o3477","","10.1107/S1600536812048155","","","0.71073","MoKα","","0.028","0.025","","","0.058","0.0588","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236893","34.524","0.008","3.9994","0.0009","23.428","0.005","90","","126.804","0.003","90","","2590.1","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2<i>E</i>)-3-(2-Bromophenyl)-1-(5-bromothiophen-2-yl)prop-2-en-1-one","","- C13 H8 Br2 O S -","- C13 H8 Br2 O S -","- C104 H64 Br16 O8 S8 -","8","2","HB6986","Vepuri, Suresh B.; Devarajegowda, H. C.; Jeyaseelan, S.; Anbazhagan, S.; Prasad, Y. Rajendra","(2<i>E</i>)-3-(2-Bromophenyl)-1-(5-bromothiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3456","","10.1107/S1600536812047939","","","0.71073","MoKα","","0.0756","0.0474","","","0.096","0.109","","","","","","0.974","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236896","17.523","0.004","12.562","0.003","13.438","0.003","90","","123.44","0.03","90","","2468.4","1.3","223.15","","223.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) propane-1,3-diol monosolvate","","- C27 H24 Cu N4 O6 S -","- C27 H24 Cu N4 O6 S -","- C108 H96 Cu4 N16 O24 S4 -","4","1","HB6990","Zhong, Kai-Long","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) propane-1,3-diol monosolvate","Acta Crystallographica Section E","2012","68","12","m1555","","10.1107/S1600536812047721","","","0.71073","MoKα","","0.037","0.0358","","","0.0936","0.0944","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237011","24.5792","0.0006","7.5795","0.0002","8.3072","0.0002","90","","107.335","0.001","90","","1477.32","0.06","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-2-hydroxyimino- <i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C56 H64 N24 O8 -","4","1","RZ5011","Plutenko, Maxym O.; Lampeka, Rostislav D.; Haukka, Matti; Nordlander, Ebbe","2-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-2-hydroxyimino-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2012","68","12","o3381","","10.1107/S1600536812045412","","","0.71073","MoKα","","0.036","0.0315","","","0.078","0.0813","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237113","17.352","0.004","13.07","0.003","13.444","0.003","90","","123.84","0.03","90","","2532.5","1.3","223.15","","223.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) butane-2,3-diol monosolvate","","- C28 H26 Cu N4 O6 S -","- C28 H26 Cu N4 O6 S -","- C112 H104 Cu4 N16 O24 S4 -","4","1","BQ2380","Zhong, Kai-Long; Cao, Guo-Qing","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) butane-2,3-diol monosolvate","Acta Crystallographica Section E","2013","69","1","m40","m41","10.1107/S1600536812049951","","","0.71073","MoKα","","0.0561","0.0459","","","0.1226","0.1346","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237122","5.0881","0.0004","13.0313","0.0009","19.886","0.002","90","","94.194","0.007","90","","1315","0.19","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>N</i>-(4-Chlorophenyl)-4-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","BT6873","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chlorophenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2013","69","1","o7","","10.1107/S1600536812049070","","","0.71073","MoKα","","0.0467","0.0407","","","0.0873","0.0915","","","","","","1.131","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237208","21.983","0.002","7.8173","0.0006","11.7489","0.001","90","","116.158","0.002","90","","1812.2","0.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","[2-(3,4-Dimethylbenzoyl)phenyl](4-methoxyphenyl)methanone","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","PV2606","Jagadeesan, G.; Sethusankar, K.; Sivasakthikumaran, R.; Mohanakrishnan, Arasambattu K.","[2-(3,4-Dimethylbenzoyl)phenyl](4-methoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","1","o26","","10.1107/S1600536812047654","","","0.71073","MoKα","","0.0976","0.0505","","","0.1364","0.1729","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237236","10.695","0.003","44.458","0.014","4.4437","0.0011","90","","99.004","0.009","90","","2086.8","1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-[4-({4-[(<i>E</i>)-(2-Hydroxynaphthalen-1- yl)methylideneamino]phenyl}sulfanyl)phenyl]ethanone","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","TK5178","Hebbachi, Rabihe; Mousser, Hénia; Mousser, Abdelhamid","1-[4-({4-[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylideneamino]phenyl}sulfanyl)phenyl]ethanone","Acta Crystallographica Section E","2013","69","1","o67","o68","10.1107/S1600536812049835","","","0.71073","MoKα","","0.06","0.0459","","","0.1156","0.1245","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237335","10.1577","0.0005","19.1711","0.0008","8.6536","0.0003","90","","119.304","0.002","90","","1469.51","0.11","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","<i>cis</i>-Dichlorido(dimethyl sulfoxide-κ<i>S</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylguanidine)platinum(II)","","- C7 H19 Cl2 N3 O Pt S -","- C7 H19 Cl2 N3 O Pt S -","- C28 H76 Cl8 N12 O4 Pt4 S4 -","4","1","HG5281","Eliseev, Ivan I.; Bokach, Nadezhda A.; Haukka, Matti; Golenya, Irina A.","<i>cis</i>-Dichlorido(dimethyl sulfoxide-κ<i>S</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidine-κ<i>N</i>'')platinum(II)","Acta Crystallographica Section E","2013","69","2","m117","m118","10.1107/S160053681300130X","","","0.71073","MoKα","","0.0268","0.0225","","","0.0439","0.0452","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237386","16.0313","0.0003","18.4956","0.0003","12.1238","0.0002","90","","131.389","0.001","90","","2696.96","0.09","193","2","193","2","","","","","","","","3","C 1 c 1","C -2yc","9","1,8-Bis(4-phenoxybenzoyl)-2,7-dihydroxynaphthalene","[2,7-Dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl](4-phenoxyphenyl)methanone","","- C36 H24 O6 -","- C36 H24 O6 -","- C144 H96 O24 -","4","1","RN2112","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","[2,7-Dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl](4-phenoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","2","o208","o209","10.1107/S1600536812052038","","","1.54187","CuKα","","0.0404","0.0374","","","0.0939","0.096","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237462","12.697","0.005","9.179","0.005","7.662","0.005","90","0.005","123.315","0.005","90","0.005","746.2","0.7","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4-Dinitrophenylhydrazine","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","DS2226","Amimoto, Kiichi; Nishiguchi, Hiromitsu","A polymorph of 2,4-dinitrophenylhydrazine","Acta Crystallographica Section E","2013","69","3","o425","","10.1107/S1600536813004571","","","0.71069","MoKα","","0.0271","0.027","","","","0.0722","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237519","17.0305","0.0008","9.5638","0.0006","7.1651","0.0004","90","","104.199","0.004","90","","1131.37","0.11","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)malononitrile","","- C12 H7 N3 O S -","- C12 H7 N3 O S -","- C48 H28 N12 O4 S4 -","4","1","LH5577","Sakka, Ola K.; Fleita, Daisy H.; Harrison, William T. A.","2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)malononitrile","Acta Crystallographica Section E","2013","69","3","o350","","10.1107/S160053681300216X","","","0.71073","MoKα","","0.0938","0.0429","","","0.0725","0.0858","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237866","17.44","0.0009","8.4734","0.0004","15.6069","0.0009","90","","119.626","0.002","90","","2004.82","0.19","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>O</i>-Methyl dithiocarbonato-κ<i>S</i>)triphenyltin(IV)","","- C20 H18 O S2 Sn -","- C20 H18 O S2 Sn -","- C80 H72 O4 S8 Sn4 -","4","1","HB7077","Javed, Fatima; Ali, Saqib; Shah, Wajid; Tahir, M. Nawaz; Ullah, Hameed","(<i>O</i>-Methyl dithiocarbonato-κ<i>S</i>)triphenyltin(IV)","Acta Crystallographica Section E","2013","69","6","m316","","10.1107/S1600536813012300","","","0.71073","MoKα","","0.0237","0.0223","","","0.0541","0.055","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237875","13.576","0.003","16.964","0.003","11.025","0.002","90","","120.11","0.03","90","","2196.5","1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Hydroxy-<i>N</i>-methylbenzamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C96 H108 N12 O24 -","12","3","HG5306","Jasinski, Jerry P.; St. John, Joel P.; Butcher, Ray J.; Narayana, B.; Yathirajan, H. S.; Sarojini, B. K.","4-Hydroxy-<i>N</i>-methylbenzamide","Acta Crystallographica Section E","2013","69","5","o738","","10.1107/S1600536813009781","","","0.71073","MoKα","","0.0623","0.0592","","","0.1863","0.1923","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237912","11.1271","0.0003","20.9492","0.0006","7.4189","0.0002","90","","101.321","0.002","90","","1695.73","0.08","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine‒4-methylbenzoic acid (1/1)","","- C18 H19 N5 O2 -","- C18 H19 N5 O2 -","- C72 H76 N20 O8 -","4","1","IS5272","Thanigaimani, Kaliyaperumal; Arshad, Suhana; Razak, Ibrahim Abdul; Makeshvaran, Duraisamy; Balasubramani, Kasthuri","6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine‒4-methylbenzoic acid (1/1)","Acta Crystallographica Section E","2013","69","6","o970","","10.1107/S1600536813013895","","","0.71073","MoKα","","0.0584","0.0553","","","0.1332","0.1345","","","","","","1.187","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238007","9.6314","0.0005","16.6596","0.0009","10.0749","0.0005","90","","98.097","0.003","90","","1600.46","0.14","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-[2-(3-Phenyl-2-oxo-1,2-dihydroquinoxalin-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","RZ5054","Daouda, Ballo; Doumbia, Mouhamadou Lamine; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","3-[2-(3-Phenyl-2-oxo-1,2-dihydroquinoxalin-1-yl)ethyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2013","69","5","o662","","10.1107/S1600536813008702","","","0.71073","MoKα","","0.0459","0.038","","","0.0925","0.0973","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238113","17.1981","0.0003","17.3466","0.0003","17.8082","0.0004","90","","94.182","0.001","90","","5298.55","0.18","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-[3-(Benzyldimethylazaniumyl)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium bis(tetraphenylborate)","","- C65 H72 B2 N4 -","- C65 H72 B2 N4 -","- C260 H288 B8 N16 -","4","1","ZL2550","Tiritiris, Ioannis","<i>N</i>-[3-(Benzyldimethylazaniumyl)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium bis(tetraphenylborate)","Acta Crystallographica Section E","2013","69","6","o899","","10.1107/S1600536813012786","","","0.71073","MoKα","","0.0605","0.0425","","","0.0984","0.1103","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238325","10.9371","0.0005","10.4462","0.0005","13.5104","0.0007","90","","108.533","0.005","90","","1463.53","0.13","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Chloro-3-[(2-oxo-2<i>H</i>-chromen-6-yl)amino]naphthalene-1,4-dione","","- C19 H10 Cl N O4 -","- C19 H10 Cl N O4 -","- C76 H40 Cl4 N4 O16 -","4","1","BX2446","Sousa, Mikaelly O. B.; Silveira, Gleiciani Q.; Gomez, Javier A. G.","2-Chloro-3-[(2-oxo-2<i>H</i>-chromen-6-yl)amino]naphthalene-1,4-dione","Acta Crystallographica Section E","2013","69","8","o1317","","10.1107/S1600536813019922","","","0.71073","MoKα","","0.0571","0.0362","","","","0.065","","","","","","0.908","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238565","15.1363","0.0005","15.9252","0.0006","10.644","0.0006","90","","133.053","0.001","90","","1874.83","0.14","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Cyclohexyl-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran","","- C22 H23 F O2 S -","- C22 H23 F O2 S -","- C88 H92 F4 O8 S4 -","4","1","SU2636","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran","Acta Crystallographica Section E","2013","69","9","o1462","","10.1107/S1600536813023180","","","0.71073","MoKα","","0.0367","0.0321","","","0.071","0.0742","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238567","12.8719","0.0009","12.5878","0.0008","7.4523","0.0005","90","","90.831","0.003","90","","1207.36","0.14","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-[2-(3-Methoxyphenyl)ethyl]pyrrolidine-2,5-dione","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","SU2640","Fatima, Zeenat; Selvakumar, Jayaraman; Srinivasan, Thothadri; Velmurugan, Devadasan","1-[2-(3-Methoxyphenyl)ethyl]pyrrolidine-2,5-dione","Acta Crystallographica Section E","2013","69","9","o1489","","10.1107/S1600536813023751","","","0.71073","MoKα","","0.0398","0.0351","","","0.0921","0.0966","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238621","17.5488","0.0014","11.936","0.0011","13.0663","0.0009","90","","120.664","0.005","90","","2354.2","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) ethanol monosolvate","","- C26 H20 Cu N4 O5 S -","- C26 H20 Cu N4 O5 S -","- C104 H80 Cu4 N16 O20 S4 -","4","1","GG2128","Meundaeng, Natthaya; Prior, Timothy J.; Rujiwatra, Apinpus","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) ethanol monosolvate","Acta Crystallographica Section E","2013","69","10","m568","m569","10.1107/S1600536813026093","","","0.71073","MoKα","","0.0777","0.0578","","","0.1489","0.1595","","","","","","1.01","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238644","13.148","0.005","28.64","0.007","9.757","0.004","90","","100.19","0.02","90","","3616","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-2-{[1-(3,11-Dimethyl-4-methylene-10-oxo-1-phenyl-4,5,10,11-tetrahydro-1<i>H</i>-benzo[<i>b</i>]pyrazolo[3,4-<i>f</i>][1,5]diazocin-5-yl)ethylidene]amino}-<i>N</i>-methyl-<i>N</i>-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)benzamide","","- C40 H36 N8 O2 -","- C40 H36 N8 O2 -","- C160 H144 N32 O8 -","4","1","LD2108","Meneghetti, Fiorella; Maggio, Benedetta","(<i>E</i>)-2-{[1-(3,11-Dimethyl-4-methylene-10-oxo-1-phenyl-4,5,10,11-tetrahydro-1<i>H</i>-benzo[<i>b</i>]pyrazolo[3,4-<i>f</i>][1,5]diazocin-5-yl)ethylidene]amino}-<i>N</i>-methyl-<i>N</i>-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)benzamide","Acta Crystallographica Section E","2013","69","10","o1583","","10.1107/S1600536813025671","","","0.71073","MoKα","","0.1212","0.0378","","","0.0826","0.0971","","","","","","0.905","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238661","22.287","0.004","12.676","0.002","13.339","0.002","90","","98.51","0.004","90","","3726.9","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(2,3,5,6-Tetrafluorophenolato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato)iron(III)","","- C50 H29 F4 Fe N4 O -","- C50 H29 F4 Fe N4 O -","- C200 H116 F16 Fe4 N16 O4 -","4","1","PK2492","Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.","(2,3,5,6-Tetrafluorophenolato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato)iron(III)","Acta Crystallographica Section E","2013","69","10","m564","m565","10.1107/S160053681302607X","","","0.71073","MoKα","","0.0961","0.0558","","","0.1026","0.1155","","","","","","1.009","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2239067","24.386","0.005","10.784","0.002","15.139","0.003","90","","118.59","0.03","90","","3495.8","1.6","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide methanol hemisolvate","","- C18.5 H18 N6 O0.5 Se -","- C18.5 H18 N6 O0.5 Se -","- C148 H144 N48 O4 Se8 -","8","2","","Seredyuk, Maksym; Sharkina, Natalia O.; Gumienna-Kontecka, Elzbieta; Kapshuk, Anatoly A.","Bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide methanol hemisolvate","Acta Crystallographica Section E","2014","70","2","o127","o128","10.1107/S1600536813034624","","","0.71073","MoKα","","0.0388","0.0324","","","0.0749","0.0777","","","","","","0.971","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2239261","14.344","0.002","25.993","0.005","6.7047","0.001","90","","117.472","0.002","90","","2217.9","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Benzene-1,3,5-tricarboxylic acid‒pyridin-1-ium-4-olate (1/3)","","- C24 H21 N3 O9 -","- C24 H21 N3 O9 -","- C96 H84 N12 O36 -","4","1","","Campos-Gaxiola, José J.; Zamora Falcon, Felipe; Corral Higuera, Ramón; Höpfl, Herbert; Cruz-Enríquez, Adriana","Benzene-1,3,5-tricarboxylic acid‒pyridinium-2-olate (1/3)","Acta Crystallographica Section E","2014","70","4","o453","o454","10.1107/S1600536814005534","","","0.71073","MoKα","","0.0491","0.047","","","0.1028","0.1039","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239274","10.7393","0.0008","33.613","0.003","9.9942","0.0007","90","","95.704","0.005","90","","3589.8","0.5","99","2","99","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(2-Chloroethyl)morpholine-4-carboxamide","","- C7 H13 Cl N2 O2 -","- C7 H13 Cl N2 O2 -","- C112 H208 Cl16 N32 O32 -","16","4","QK2064","Ujam, Oguejiofo T.; Asegbeloyin, Jonnie N.; Nicholson, Brian K.; Ukoha, Pius O.; Ukwueze, Nkechi N.","<i>N</i>-(2-Chloroethyl)morpholine-4-carboxamide","Acta Crystallographica Section E","2014","70","4","o463","","10.1107/S1600536814005832","","","0.71073","MoKα","","0.1077","0.0593","","","0.1323","0.1577","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239728","20.7595","0.0016","20.78","0.0016","28.427","0.002","90","","100.489","0.002","90","","12058","1.6","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","3-Methylbenzo[1,2-<i>c</i>:5,4-<i>c</i>']dichromen-6(8<i>H</i>)-one","","- C21 H14 O3 -","- C21 H14 O3 -","- C672 H448 O96 -","32","8","SU2746","Kayalvizhi, M.; Vasuki, G.; Khatri, Adil I.; Samant, Shriniwas D.","3-Methylbenzo[1,2-<i>c</i>:5,4-<i>c</i>']dichromen-6(8<i>H</i>)-one","Acta Crystallographica Section E","2014","70","8","o838","","10.1107/S1600536814015001","","","0.71073","MoKα","","0.15","0.0826","","","0.2289","0.2894","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239750","7.8256","0.0012","22.331","0.002","8.9976","0.0013","90","","110.04","0.016","90","","1477.2","0.4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[[(acetato-κ<i>O</i>){μ~3~-<i>N</i>-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ^4^<i>N</i>:<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^4^]copper(II)] dihydrate]","","- C13 H16 Cu N4 O5 -","- C13 H16 Cu N4 O5 -","- C52 H64 Cu4 N16 O20 -","4","1","HB0008","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of poly[[(acetato-κO){μ3-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ4N:N1,N2:N4]copper(II)] dihydrate]: a metal‒organic framework (MOF)","Acta Crystallographica Section E Structure Reports Online","2014","70","7","23","","10.1107/S1600536814011520","","","0.71073","MoKα","","0.0765","0.0395","","","0.0643","0.0715","","","","","","0.777","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2239834","12.0017","0.0004","30.2487","0.001","9.3597","0.0003","90","","116.179","0.001","90","","3049.35","0.18","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Ferrocenyl-2-(4-methylbenzoyl)spiro[11<i>H</i>-pyrrolidizine-3,11'-\ indeno[1,2-<i>b</i>]quinoxaline]","","- C39 H33 Fe N3 O -","- C39 H33 Fe N3 O -","- C156 H132 Fe4 N12 O4 -","4","1","RZ5131","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","Crystal structure of 1-ferrocenyl-2-(4-methylbenzoyl)spiro[11<i>H</i>-pyrrolidizine-3,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2014","70","9","124","126","10.1107/S1600536814017644","","","0.71073","MoKα","","0.026","0.0242","","","0.0613","0.0624","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239931","12.5828","0.0003","12.3847","0.0003","8.4807","0.0002","90","","102.563","0.0011","90","","1289.94","0.05","90","0.2","90","","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Methoxy-2,2,2-tris(pyrazol-1-yl)ethane","","- C12 H14 N6 O -","- C12 H14 N6 O -","- C48 H56 N24 O4 -","4","1","SU2774","Lyubartseva, Ganna; Parkin, Sean; Coleman, Morgan D.; Mallik, Uma Prasad","Crystal structure of 1-methoxy-2,2,2-tris(pyrazol-1-yl)ethane","Acta Crystallographica Section E","2014","70","9","o1047","o1048","10.1107/S1600536814018789","","","0.71073","MoKα","","0.0581","0.0419","","","0.0932","0.1024","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240528","17.4296","0.0005","15.3728","0.0005","8.6359","0.0003","90","","90.325","0.003","90","","2313.88","0.13","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Clozapinium 2-hydroxybenzoate","","- C25 H25 Cl N4 O3 -","- C25 H25 Cl N4 O3 -","- C100 H100 Cl4 N16 O12 -","4","1","HB7383","Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Glidewell, Christopher","The crystal structures of three clozapinium salts: different molecular configurations, and supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2015","71","4","406","413","10.1107/S205698901500554X","","","1.54184","CuKα","","0.0574","0.0563","","","0.1384","0.1409","","","","","","1.082","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240686","9.1101","0.0006","20.0087","0.0012","7.1231","0.0004","90","","110.491","0.002","90","","1216.25","0.13","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[chlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-chlorido]","","- C12 H12 Cl2 Cu N2 -","- C12 H12 Cl2 Cu N2 -","- C48 H48 Cl8 Cu4 N8 -","4","1","ZL2617","Nita, Rafaela; Deschamps, Jeffrey R.; Trammell, Scott A.; Knight, D. Andrew","Crystal structure of <i>catena</i>-poly[[chlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-chlorido]","Acta Crystallographica Section E","2015","71","6","624","627","10.1107/S2056989015008944","","","0.71073","MoKα","","0.0312","0.0295","","","0.0712","0.0719","","","","","","1.048","","","","has coordinates,has Fobs","136468","2020-10-21","18:00:00",""
"2240697","7.66","0.002","16.912","0.005","8.412","0.003","90","","101.137","0.007","90","","1069.2","0.6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Methyl-4-phenyl-1,2,4-triazol-1-ium iodide","","- C9 H10 I N3 -","- C9 H10 I N3 -","- C36 H40 I4 N12 -","4","1","","Guino-o, Marites A.; Talbot, Meghan O.; Slitts, Michael M.; Pham, Theresa N.; Audi, Maya C.; Janzen, Daron E.","Crystal structures of five 1-alkyl-4-aryl-1,2,4-triazol-1-ium halide salts","Acta Crystallographica Section E","2015","71","6","628","635","10.1107/S2056989015009019","","","0.71075","MoKα","","0.0183","0.0176","","","0.0369","0.0371","","","","","","1.047","","","","has coordinates,has Fobs","136635","2020-10-21","18:00:00",""
"2241118","15.4807","0.001","14.3435","0.0011","17.7605","0.001","90","","99.435","0.005","90","","3890.3","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(μ-4-Hydroxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis(μ-phenylmethanethiolato-κ^2^<i>S</i>:<i>S</i>)bis[(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] tetrafluoridoborate","","- C40 H47 B F4 O Ru2 S3 -","- C40 H47 B F4 O Ru2 S3 -","- C160 H188 B4 F16 O4 Ru8 S12 -","4","1","WM5210","Stíbal, David; Süss-Fink, Georg; Therrien, Bruno","Crystal structure of (μ-4-hydroxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis(μ-phenylmethanethiolato-κ^2^<i>S</i>:<i>S</i>)bis[(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] tetrafluoridoborate","Acta Crystallographica Section E","2015","71","10","1174","1176","10.1107/S2056989015016953","","","0.71073","MoKα","","0.0385","0.0319","","","0.072","0.0744","","","","","","0.95","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241224","28.4747","0.0008","6.186","0.005","22.925","0.012","90","","114.792","0.011","90","","3666","4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","{6,6'-Dihydroxy-2,2'-[iminobis(propane-1,3-diylnitrilomethanylylidene)]diphenolato-κ^5^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1'^}copper(II)","","- C20 H23 Cu N3 O4 -","- C20 H23 Cu N3 O4 -","- C160 H184 Cu8 N24 O32 -","8","2","","Noor, Shabana; Kumar, Sarvendra; Sabir, Suhail; Seidel, Rüdiger W.; Goddard, Richard","Crystal structure of {6,6'-dihydroxy-2,2'-[iminobis(propane-1,3-diylnitrilomethanylylidene)]diphenolato-κ^5^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1'^}copper(II)","Acta Crystallographica Section E","2015","71","11","m203","m204","10.1107/S2056989015019684","","","0.71073","MoKα","","0.0769","0.0695","","","0.1784","0.1822","","","","","","1.246","","","","has coordinates,has Fobs","169819","2020-10-21","18:00:00",""
"2241393","7.2792","0.0004","37.7252","0.0016","11.3443","0.0005","90","","94.701","0.002","90","","3104.8","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis[μ-<i>S</i>-hexyl 3-(2-oxidobenzylidene)dithiocarbazato-κ^4^<i>O</i>,<i>N</i>^3^,<i>S</i>:<i>O</i>]dicopper(II)","","- C28 H36 Cu2 N4 O2 S4 -","- C28 H36 Cu2 N4 O2 S4 -","- C112 H144 Cu8 N16 O8 S16 -","4","1","SU5246","Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.","Crystal structure of bis[μ-<i>S</i>-hexyl 3-(2-oxidobenzylidene)dithiocarbazato-κ^4^<i>O</i>,<i>N</i>^3^,<i>S</i>:<i>O</i>]dicopper(II)","Acta Crystallographica Section E","2015","71","12","m249","m250","10.1107/S2056989015022914","","","0.71075","MoKα","","0.0274","0.0268","","","0.0661","0.0663","","","","","","1.056","","","","has coordinates,has Fobs","171475","2020-10-21","18:00:00",""
"2241407","17.1964","0.0005","17.6641","0.0007","17.4751","0.0006","90","","98.752","0.001","90","","5246.4","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethyl-<i>N</i>-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate)","","- C63 H76 B2 N6 -","- C63 H76 B2 N6 -","- C252 H304 B8 N24 -","4","1","NR2062","Tiritiris, Ioannis; Kantlehner, Willi","Crystal structure of <i>N</i>-[3-(dimethylamino)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethyl-<i>N</i>-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate)","Acta Crystallographica Section E","2015","71","12","o1045","o1046","10.1107/S2056989015023336","","","0.71073","MoKα","","0.0474","0.0381","","","0.0822","0.0872","","","","","","1.056","","","","has coordinates,has Fobs","171499","2020-10-21","18:00:00",""
"2241481","12.0839","0.0009","6.4197","0.0005","19.7427","0.0018","90","","104.826","0.0012","90","","1480.5","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-(4-Methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Adam, Farook; Samshuddin, Seranthimata; Shruthi; Narayana, Badiadka; Ameram, Nadiah","Crystal structure of 5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde","Acta Crystallographica Section E","2015","71","12","o1093","o1094","10.1107/S2056989015023658","","","0.71073","MoKα","","0.0383","0.0358","","","0.0946","0.097","","","","","","1.052","","","","has coordinates,has Fobs","174730","2020-10-21","18:00:00",""
"2241488","8.3245","0.0005","22.536","0.002","13.258","0.0012","90","","108.092","0.007","90","","2364.2","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-\ Hexamethylguanidinium cyanate 1.5-hydrate","","- C16 H42 N8 O5 -","- C16 H42 N8 O5 -","- C64 H168 N32 O20 -","4","1","RZ5180","Tiritiris, Ioannis; Kantlehner, Willi","Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexamethylguanidinium cyanate 1.5-hydrate","Acta Crystallographica Section E","2015","71","12","o1076","o1077","10.1107/S2056989015024317","","","0.71073","MoKα","","0.037","0.0341","","","0.0875","0.0893","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","174738","2020-10-21","18:00:00",""
"2241656","9.0832","0.0013","11.1072","0.0013","13.9564","0.0017","90","","102.027","0.003","90","","1377.1","0.3","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-3- (2-Chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","","- C16 H11 Cl F2 O2 -","- C16 H11 Cl F2 O2 -","- C64 H44 Cl4 F8 O8 -","4","1","HB7578","Hassan, Nur Hafiq Hanif; Abdullah, Amzar Ahlami; Arshad, Suhana; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2016","72","5","716","719","10.1107/S2056989016006526","","","0.71073","MoKα","","0.0538","0.0386","","","0.1051","0.1159","","","","","","1.046","","","","has coordinates,has Fobs","182296","2020-10-21","18:00:00",""
"2241716","12.0996","0.0014","24.511","0.003","11.2999","0.0013","90","","119.577","0.003","90","","2914.6","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) diiodide","","- C12 H36 I2 Mn O6 S6 -","- C12 H36 I2 Mn O6 S6 -","- C48 H144 I8 Mn4 O24 S24 -","4","1","SU5305","Glatz, Mathias; Schroffenegger, Martina; Weil, Matthias; Kirchner, Karl","Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) diiodide","Acta Crystallographica Section E","2016","72","7","904","906","10.1107/S2056989016008896","","","0.71073","MoKα","","0.0649","0.0441","","","0.068","0.0742","","","","","","1.155","","","","has coordinates,has Fobs","183353","2020-10-21","18:00:00",""
"2241894","23.9836","0.0019","7.3271","0.0006","22.6809","0.0017","90","","94.4257","0.0014","90","","3973.8","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[bis(tetraethylammonium) [tetraaquatris(μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^)bis(dicyanamido-κ<i>N</i>^1^)dicobaltate(II)] dicyanamide]","","- C28 H48 Co2 N20 O4 -","- C28 H48 Co2 N20 O4 -","- C112 H192 Co8 N80 O16 -","4","1","WM5330","Liu, Chen; Thuijs, Annaliese E.; Abboud, Khalil A.","Crystal structure of <i>catena</i>-poly[bis(tetraethylammonium) [tetraaquatris(μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^)bis(dicyanamido-κ<i>N</i>^1^)dicobaltate(II)] dicyanamide]","Acta Crystallographica Section E","2016","72","11","1603","1606","10.1107/S2056989016016637","","","0.71073","MoKα","","0.0311","0.0279","","","0.0693","0.0704","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","187492","2020-10-21","18:00:00",""
"2242140","11.23","0.003","17.204","0.005","18.11","0.006","90","","103.248","0.007","90","","3405.8","1.8","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","(bztmpen)Ni","(Acetonitrile-κ<i>N</i>){<i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-Tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}nickel(II) bis(tetrafluoridoborate)","","- C32 H38 B2 F8 N6 Ni -","- C32 H38 B2 F8 N6 Ni -","- C128 H152 B8 F32 N24 Ni4 -","4","1","VN2128","Chen, Lin; Ren, Gan; Guo, Yakun; Sang, Ge","Crystal structure and electrochemical properties of [Ni(bztmpen)(CH~3~CN)](BF~4~)~2~ {bztmpen is <i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}","Acta Crystallographica Section E","2017","73","6","825","828","10.1107/S2056989017006764","","","0.71073","MoKα","","0.0358","0.0346","","","0.0899","0.0918","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","199117","2020-10-21","18:00:00",""
"2242204","9.8262","0.0005","13.4434","0.0007","9.4251","0.0008","90","","109.897","0.002","90","","1170.71","0.13","115","","115","","","","","","","","","3","C 1 c 1","C -2yc","9","","2-[3-Methoxy-4-(oxiran-2-ylmethoxy)benzyl]oxirane","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","SU5360","Vigier, Jordan; François, Camille; Pourchet, Sylvie; Boni, Gilles; Plasseraud, Laurent; Placet, Vincent; Fontaine, Stéphane; Cattey, Hélène","Crystal structure of the diglycidyl ether of eugenol","Acta Crystallographica Section E","2017","73","5","694","697","10.1107/S2056989017005370","","","0.71073","MoKα","","0.0456","0.0439","","","0.1191","0.1208","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","199172","2020-10-21","18:00:00",""
"2242274","10.6089","0.0003","22.7141","0.0005","8.8959","0.0002","90","","122.211","0.001","90","","1813.73","0.08","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate","","- C18 H24 N2 O2 S -","- C18 H24 N2 O2 S -","- C72 H96 N8 O8 S4 -","4","1","LH5849","Sagar, Belakavadi K.; Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate and 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","Acta Crystallographica Section E","2017","73","9","1320","1325","10.1107/S2056989017011446","","","1.54178","CuKα","","0.0285","0.0276","","","0.0714","0.0722","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","199668","2020-10-21","18:00:00",""
"2242466","42.287","0.009","7.2848","0.0015","6.7006","0.0013","90","","91.226","0.012","90","","2063.7","0.7","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","4-(9-Methyloxycarbonylnonyloxy)phenylphenol","Methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","SU5401","Geiger, David K.; Geiger, H. Cristina; Morell, Dominic L.","An exploration of O—H···O and C—H···π interactions in a long-chain-ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate","Acta Crystallographica Section E","2018","74","5","594","599","10.1107/S2056989017016589","","","0.71073","MoKa","","0.062","0.0441","","","0.1093","0.1216","","","","","","1.045","","","","has coordinates,has Fobs","207558","2020-10-21","18:00:00",""
"2242634","31.872","0.006","12.64","0.002","16.881","0.003","90","","109.99","0.002","90","","6391","1.9","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[Bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)manganese bis(2,6-diisopropylphenyl) phosphate methanol trisolvate","","- C56 H100 Mn O16 P2 -","- C56 H100 Mn O16 P2 -","- C224 H400 Mn4 O64 P8 -","4","1","PJ2055","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Nifant'ev, Ilya E.; Churakov, Andrei V.; Dmitrienko, Artem O.; Lyssenko, Konstantin A.","[Bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)manganese bis(2,6-diisopropylphenyl) phosphate methanol trisolvate","Acta Crystallographica Section E","2018","74","10","1433","1438","10.1107/S2056989018012859","","","0.71073","MoKα","","0.0847","0.0721","","","0.1869","0.1974","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","210973","2020-10-21","18:00:00",""
"2242841","19.4596","0.0014","10.7416","0.0008","11.9654","0.0009","90","","125.864","0.002","90","","2026.9","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-{(<i>E</i>)-2-[4-(Dimethylamino)phenyl]ethenyl}-1-phenyl-1λ^5^-pyridin-\ 1-ylium hexafluoro-λ^6^-phosphane","","- C21 H21 F6 N2 P -","- C21 H21 F6 N2 P -","- C84 H84 F24 N8 P4 -","4","1","LH5891","Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P.","Crystal structure determination of two pyridine derivatives: 4-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane","Acta Crystallographica Section E","2019","75","2","288","291","10.1107/S2056989019001403","","","0.71073","MoKα","","0.0913","0.0643","","","0.1773","0.2034","","","","","","1.069","","","","has coordinates,has Fobs","213445","2020-10-21","18:00:00",""
"2242860","13.4004","0.0007","15.6272","0.0006","10.3817","0.0005","90","","95.739","0.004","90","","2163.14","0.18","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,3-Di-<i>tert</i>-butyl-2-chloro-4,4-diphenyl-1,3,2λ^3^,4-\ diazaphosphasiletidine","","- C20 H28 Cl N2 P Si -","- C20 H28 Cl N2 P Si -","- C80 H112 Cl4 N8 P4 Si4 -","4","1","PK2614","Mo, Dennis; Frank, Walter","Synthesis and crystal structure of 1,3-di-<i>tert</i>-butyl-2-chloro-4,4-diphenyl-1,3,2λ^3^,4-diazaphosphasiletidine","Acta Crystallographica Section E","2019","75","3","405","409","10.1107/S2056989019002627","","","0.71073","MoKα","","0.0799","0.0625","","","0.098","0.1038","","","","","","1.495","","","","has coordinates,has disorder,has Fobs","213916","2020-10-21","18:00:00",""
"2242931","11.5047","0.0009","23.41","0.003","13.4115","0.0011","90","","104.305","0.008","90","","3500.1","0.6","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide","","- C14 H10 N4 O -","- C14 H10 N4 O -","- C168 H120 N48 O12 -","12","3","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of the ligand <i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide and of a tetranuclear copper(II) complex","Acta Crystallographica Section E","2019","75","6","755","761","10.1107/S2056989019005450","","","0.71073","MoKα","","0.1014","0.0594","","","0.1095","0.1335","","","","","","1.165","","","","has coordinates,has Fobs","215130","2020-10-21","18:00:00",""
"2242975","6.2114","0.0004","19.4553","0.0011","11.252","0.0007","90","","91.883","0.002","90","","1359.01","0.14","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Chloro-3-[(<i>E</i>)-(2-phenylhydrazinylidene)methyl]quinoline","","- C16 H12 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","1","","Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Saadi, Mohamed; El Ammari, Lahcen; Ketatni, El Mostafa","Synthesis, crystal structure and Hirshfeld surface analysis of 2-chloro-3-[(<i>E</i>)-(2-phenylhydrazinylidene)methyl]quinoline","Acta Crystallographica Section E","2019","75","7","964","968","10.1107/S2056989019007692","","","0.71073","MoKα","","0.0344","0.0293","","","0.0698","0.0719","","","","","","1.035","","","","has coordinates,has Fobs","215741","2020-10-21","18:00:00",""
"2243042","29.403","0.005","7.9811","0.0014","6.7898","0.0013","90","","97.352","0.012","90","","1580.3","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Benzoyl-4-(4-methoxyphenyl)piperazine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0482","0.0353","","","0.0823","0.0891","","","","","","1.08","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243086","26.406","0.002","9.5558","0.0009","7.1019","0.0006","90","","101.076","0.002","90","","1758.6","0.3","100","2","99.99","","","","","","","","","5","C 1 c 1","C -2yc","9","","2,4-Dichlorophenol‒ 2,4-dichloro-6-{[(3-hydroxypropyl)ammonio]methyl}phenolate (1/1)","","- C16 H17 Cl4 N O3 -","- C16 H17 Cl4 N O3 -","- C64 H68 Cl16 N4 O12 -","4","1","FY2140","Uprety, Bhawna; Arderne, Charmaine","The crystal structure of the zwitterionic co-crystal of 2,4-dichloro-6-{[(3-hydroxypropyl)ammonio]methyl}phenolate and 2,4-dichlorophenol","Acta Crystallographica Section E","2019","75","10","1452","1455","10.1107/S2056989019012544","","","0.71073","MoKα","","0.0413","0.0368","","","0.0897","0.0917","","","","","","1.03","","","","has coordinates,has Fobs","218157","2020-10-21","18:00:00",""
"2243228","26.7742","0.0016","20.8916","0.0014","8.4254","0.0005","90","","93.46","0.003","90","","4704.2","0.5","100.15","","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(2-nitrobenzoate)","","- C18 H28 Cu N6 O10 -","- C18 H28 Cu N6 O10 -","- C144 H224 Cu8 N48 O80 -","8","2","LH5937","Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate","Acta Crystallographica Section E","2020","76","1","111","114","10.1107/S2056989019016669","","","0.71073","MoKα","","0.069","0.0557","","","0.1267","0.1379","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","245574","2020-10-21","18:00:00",""
"2243292","9.969","0.0005","24.8828","0.0015","8.3049","0.0004","90","","94.356","0.001","90","","2054.13","0.19","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-3-[4-(9,9a-Dihydro-8a<i>H</i>-carbazol-9-yl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one","","- C27 H18 N2 O3 -","- C27 H18 N2 O3 -","- C108 H72 N8 O12 -","4","1","EX2028","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana","Structural, Hirshfeld and DFT studies of conjugated <i>D</i>‒π‒<i>A</i> carbazole chalcone crystal","Acta Crystallographica Section E","2020","76","3","387","391","10.1107/S2056989020002054","","","0.71073","MoKα","","0.0515","0.0405","","","0.1042","0.114","","","","","","1.035","","","","has coordinates,has Fobs","248284","2020-10-21","18:00:00",""
"2243438","15.9353","0.0009","10.3526","0.0006","14.8486","0.0009","90","","115.135","0.0006","90","","2217.7","0.2","173","2","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Methyl-<i>N</i>-propylbenzenesulfonamide","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C80 H120 N8 O16 S8 -","8","2","WM5567","Stenfors, Brock A.; Collins, Rachel C.; Duran, Jonah R. J.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of 4-methyl-<i>N</i>-propylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","7","1070","1074","10.1107/S2056989020007756","","","0.71073","MoKα","","0.0318","0.0308","","","0.0816","0.0828","","","","","","1.024","","","","has coordinates,has Fobs","253147","2020-10-21","18:00:00",""
"2243506","15.174","0.005","4.1188","0.0016","15.785","0.006","90","","92.98","0.02","90","","985.2","0.6","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[(μ-isoindoline-1,3-dithione-κ^2^<i>S</i>:<i>S</i>)copper(I)]-μ~3~-iodido]","","- C8 H5 Cu I N S2 -","- C8 H5 Cu I N S2 -","- C32 H20 Cu4 I4 N4 S8 -","4","1","","Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.","Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands","Acta Crystallographica Section E","2020","76","8","1336","1344","10.1107/S2056989020009676","","x-ray","0.71073","MoKα","","0.0429","0.036","","","0.0866","0.089","","","","","","1.056","","","","has coordinates,has Fobs","254475","2020-10-21","18:00:00",""
"2243517","22.6809","0.0013","20.5788","0.0011","27.6206","0.0016","90","","101.59","0.002","90","","12628.9","1.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Poly[[μ~3~-acetato-hexakis(μ-<i>N</i>,<i>N</i>-dimethylformamide)bis(<i>N</i>,<i>N</i>-dimethylformamide)bis[salicylhydroximato(2-)]heptakis[salicylhydroximato(3-)]hexaaluminium(III)dysprosium(III)pentasodium(I)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate monohydrate]","","- C101 H127 Al6 Dy N21 Na5 O42 -","- C101 H127 Al6 Dy N21 Na5 O42 -","- C404 H508 Al24 Dy4 N84 Na20 O168 -","4","1","PK2639","Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets","Acta Crystallographica Section E","2020","76","8","1378","1390","10.1107/S2056989020010130","","","0.71073","MoKα","","0.0718","0.0561","","","0.1463","0.1588","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","254730","2020-10-21","18:00:00",""
"2243647","19.94","0.001","10.2705","0.0007","9.0148","0.0007","90","","109.663","0.008","90","","1738.5","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-(2-Methoxyphenyl)piperazin-1-ium 2-fluorobenzoate","","- C18 H21 F N2 O3 -","- C18 H21 F N2 O3 -","- C72 H84 F4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0477","0.0364","","","0.0925","0.0996","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:50",""
"2243736","20.3693","0.0009","10.0956","0.0004","39.1991","0.0016","90","","98.443","0.004","90","","7973.6","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-<i>N</i>-(4-Methoxyphenyl)-2[4-(3-oxo-3-phenylprop-1-en-1-yl)phenoxy]acetamide","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C384 H336 N16 O64 -","16","4","EY2003","Nguyen Tien, Cong; Vu Quoc, Trung; Nguyen Dang, Dat; Le Duc, Giang; Van Meervelt, Luc","Synthesis and structure of (<i>E</i>)-<i>N</i>-(4-methoxyphenyl)-2-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenoxy]acetamide","Acta Crystallographica Section E","2021","77","2","184","189","10.1107/S2056989021000864","","x-ray","0.71073","MoKα","","0.0586","0.0451","","","0.1171","0.1271","","","","","","1.007","","","","has coordinates,has Fobs","261318","2021-01-30","06:09:21",""
"2243787","14.5474","0.0007","17.8777","0.0008","9.0803","0.0004","90","","108.773","0.002","90","","2235.92","0.18","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-1-(3-Benzyl-5-phenyl-1,3-thiazol-2-ylidene)-2-[(<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ium bromide","","- C26 H24 Br N3 S -","- C26 H24 Br N3 S -","- C104 H96 Br4 N12 S4 -","4","1","HB7963","Mohamed, Shaaban K.; Elgarhy, Sahar M. I.; Hassan, Alaa A.; Demirtaş, Güneş; Mague, Joel. T.; Ramli, Youssef","Crystal structure of (<i>E</i>)-1-(3-benzyl-5-phenyl-1,3-thiazol-2-ylidene)-2-[(<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ium bromide","Acta Crystallographica Section E","2021","77","4","420","423","10.1107/S2056989021002863","","","0.71073","MoKα","","0.0246","0.0227","","","0.0514","0.052","","","","","","1.026","","","","has coordinates,has Fobs","263290","2021-03-24","06:23:50",""
"2243798","8.6598","0.0002","16.0275","0.0005","11.659","0.0003","90","","90.7364","0.0009","90","","1618.08","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","6-Amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile","","- C16 H13 Cl2 N5 -","- C16 H13 Cl2 N5 -","- C64 H52 Cl8 N20 -","4","1","WM5605","Naghiyev, Farid N.; Tereshina, Tatiana A.; Khrustalev, Victor N.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile","Acta Crystallographica Section E","2021","77","5","516","521","10.1107/S2056989021003583","","","0.71073","MoKα","","0.072","0.0443","","","0.0785","0.0895","","","","","","1.025","","","","has coordinates,has Fobs","264031","2021-04-10","05:02:13",""
"2243841","32.83","0.004","4.4049","0.0005","18.844","0.002","90","","90.13","0.003","90","","2725.1","0.5","173.15","","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","1-[(<i>E</i>)-2-(5-Chloro-2-hydroxyphenyl)hydrazin-1-ylidene]naphthalen-2(1<i>H</i>)-one","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C128 H88 Cl8 N16 O16 -","8","2","ZN2007","Bougueria, Hassiba; Chetioui, Souheyla; Bensegueni, Mohammed Abdellatif; Djukic, Jean-Pierre; Benarous, Nesrine","Crystal structure and Hirshfeld surface analysis of 1-[(<i>E</i>)-2-(5-chloro-2-hydroxyphenyl)hydrazin-1-ylidene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2021","77","6","672","676","10.1107/S2056989021005491","","","0.71073","MoKα","","0.0769","0.0456","","","0.0745","0.0818","","","","","","0.966","","","","has coordinates,has Fobs","265610","2021-05-29","05:14:58",""
"2243914","15.7724","0.0012","17.6042","0.0015","9.3589","0.0009","90","","114.259","0.003","90","","2369.1","0.4","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>RS</i>)-5-(4-Methoxyphenyl)-1-(4-phenythiazol-2-yl)-3-(4-(prop-2-ynyloxy)phenyl)-4,5-dihydro-1<i>H</i>-pyrazole","","- C28 H23 N3 O2 S -","- C28 H23 N3 O2 S -","- C112 H92 N12 O8 S4 -","4","1","ZL5017","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009312","","","0.71073","MoKα","","0.0673","0.0404","","","0.0905","0.1031","","","","","","1.046","","","","has coordinates,has Fobs","269102","2021-09-11","02:08:51",""
"2243915","16.5634","0.0017","17.725","0.0019","9.4032","0.0011","90","","116.401","0.003","90","","2472.7","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>RS</i>)-5-(4-Methoxyphenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","","- C29 H25 N3 O2 S -","- C29 H25 N3 O2 S -","- C116 H100 N12 O8 S4 -","4","1","ZL5017","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009312","","","0.71073","MoKα","","0.0733","0.0418","","","0.1004","0.1214","","","","","","1.077","","","","has coordinates,has Fobs","269102","2021-09-11","02:08:51",""
"2244024","10.116","0.005","12.186","0.005","10.979","0.005","90","","98.26","0.005","90","","1339.4","1.1","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","Poly[[[μ~3~-2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.1^3,7^]decan-7-yl)ethanoate-κ^4^<i>N</i>:<i>N</i>':<i>O</i>,<i>O</i>']silver(I)] tetrafluoroborate]","","- C9 H16 Ag B F4 N3 O2 P -","- C9 H16 Ag B F4 N3 O2 P -","- C36 H64 Ag4 B4 F16 N12 O8 P4 -","4","1","EX2052","Udvardy, Antal; Kathó, Ágnes; Papp, Gábor; Joó, Ferenc; Gál, Gyula Tamás","Novel three-dimensional coordination polymer of 2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.1^3,7^]decan-7-yl)ethanoic acid with silver(I) tetrafluoroborate","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022000767","","","0.71073","MoKα","","0.0486","0.0482","","","0.1216","0.1225","","","","","","1.129","","","","has coordinates,has Fobs","272411","2022-02-02","03:00:16",""
"2244115","16.4968","0.001","14.8697","0.0009","16.1836","0.0009","90","","114.879","0.003","90","","3601.5","0.4","99.9","","99.9","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 5-methyl-3-(10-nitroanthracen-9-yl)isoxazole-4-carboxylate","","- C21 H16 N2 O5 -","- C21 H16 N2 O5 -","- C168 H128 N16 O40 -","8","2","HB8020","Li, Chun; Weaver, Matthew J.; Campbell, Michael J.; Natale, Nicholas R.","Syntheses and crystal structures of a nitro–anthracene–isoxazole and its oxidation product","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005710","","","0.71073","MoKα","","0.0863","0.0587","","","0.1416","0.1584","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","275971","2022-06-11","01:51:52",""
"2244189","7.0532","0.0006","21.3776","0.0017","11.1181","0.0009","90","","106.477","0.002","90","","1607.5","0.2","99.99","","99.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichloridobis(4-hydroxybenzamide-κ<i>O</i>)zinc(II)","","- C14 H14 Cl2 N2 O4 Zn -","- C14 H14 Cl2 N2 O4 Zn -","- C56 H56 Cl8 N8 O16 Zn4 -","4","1","ZL5023","Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.","Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride","Acta Crystallographica Section E","2021","77","9","880","886","10.1107/S2056989021008264","","x-ray","0.71073","MoKα","","0.0357","0.0304","","","0.0635","0.0654","","","","","","1.049","","","","has coordinates,has Fobs","278296","2022-10-01","02:02:06",""
"2300624","11.6771","0.0002","29.1114","0.0004","9.36146","0.00016","90","","109.21","0.002","90","","3005.11","0.09","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H39 Cl N2 O6 -","- C32 H39 Cl N2 O6 -","- C128 H156 Cl4 N8 O24 -","4","1","KC5042","Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan","<i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing","Journal of Applied Crystallography","2016","49","6","2172","2183","10.1107/S1600576716016058","powder diffraction","x-ray","1.5418","CuKα","","0.0572","0.0572","","0.0686","0.0686","","","","2.99","","","","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2300705","5.3418","0.0006","9.1166","0.0015","14.697","0.002","90","","93.91","0.02","90","","714.06","0.17","314","1","314","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H8 Mg6 O18 Si4 -","- H8 Mg6 O18 Si4 -","- H16 Mg12 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285766","2023-08-15","07:58:29",""
"2300706","5.3444","0.0006","9.1074","0.0014","14.7086","0.0011","90","","94.18","0.02","90","","714.02","0.15","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg4 Ni2 O18 Si4 -","- H8 Mg4.36 Ni1.64 O18 Si4 -","- H16 Mg8.72 Ni3.28 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285767","2023-08-15","08:03:34",""
"2300707","5.3406","0.0006","9.0991","0.0015","14.7019","0.0013","90","","94.44","0.02","90","","712.29","0.16","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg3 Ni3 O18 Si4 -","- H8 Mg2.92 Ni3.08 O18 Si4 -","- H16 Mg5.84 Ni6.16 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285768","2023-08-15","08:06:05",""
"2300708","5.3415","0.0006","9.1095","0.0016","14.6976","0.0011","90","","94.31","0.02","90","","713.14","0.16","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg2 Ni4 O18 Si4 -","- H8 Mg2.48 Ni3.52 O18 Si4 -","- H16 Mg4.96 Ni7.04 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285769","2023-08-15","08:07:07",""
"2300709","5.3411","0.0008","9.0924","0.0017","14.6494","0.0019","90","","94.86","0.02","90","","708.87","0.19","314","1","314","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H8 Ni6 O18 Si4 -","- H8 Ni6 O18 Si4 -","- H16 Ni12 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285770","2023-08-15","08:14:59",""
"2310435","5.82","","14.66","","4.79","","90","","90","","90","","408.689","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Li2 (Si2 O5)","","- Li2 O5 Si2 -","- Li2 O5 Si2 -","- Li8 O20 Si8 -","4","1","","Liebau, F.","Untersuchungen an Schichtsilikaten des Formeltyps Am (Si2 O5)n. I. Die Kristallstruktur der Zimmertemperaturform des Li2 Si2 O5","Acta Crystallographica (1,1948-23,1967)","1961","14","","389","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","149451","2020-10-21","18:00:00",""
"2310438","7.584","","10.154","","6.715","","90","","122.96","","90","","433.88","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","H Cl (H2 O)3","","- Cl H7 O3 -","- Cl O3 -","- Cl4 O12 -","4","1","","Lundgren, J.O.; Olovsson, I.","Hydrogen bond studies. XVI. The crystal structure of hydrogen chloride trihydrate","Acta Crystallographica (1,1948-23,1967)","1967","23","","971","976","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310488","11.68","","6.73","","7.32","","90","","121.1","","90","","492.695","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- Al2 Se3 -","- Al2 Se3 -","- Al8 Se12 -","4","1","","Steigmann, G.A.; Goodyear, J.","The crystal structure of Al2 Se3","Acta Crystallographica (1,1948-23,1967)","1966","20","","617","619","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310558","19.54","","7.3","","7.56","","90","","102","","90","","1054.81","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","(N O2)2 S3 O10","","- N2 O14 S3 -","- N2 O14 S3 -","- N8 O56 S12 -","4","1","","Cruickshank, D.W.J.","Refinements of Structures Containing Bonds between Si, P, S or Cl and O or N. IX. (N O2 2 S3 O10)","Acta Crystallographica (1,1948-23,1967)","1964","17","","684","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"2310840","19.54","","7.3","","7.56","","90","","102","","90","","1054.81","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","N2 O5 (S O3)3","","- N2 O14 S3 -","- N2 O14 S3 -","- N8 O56 S12 -","4","1","","Eriks, K.; MacGillavry, C.H.","The Crystal Structure of N2 O5 (S O3)3","Acta Crystallographica (1,1948-23,1967)","1954","7","","430","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","163648","2020-10-21","18:00:00",""
"2311163","16.979","0.009","9.407","0.005","7.034","0.004","90","","103.927","0.011","90","","1090.5","1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile","","- C12 H7 N3 O S -","- C12 H7 N3 O S -","- C48 H28 N12 O4 S4 -","4","1","HG5329","Akkurt, Mehmet; El-Saghier, Ahmed M M; Younes, Sabry H. H.; Horton, Peter N.; Albayati, Mustafa R.","2-(4-Oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene)propanedi-nitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1313","","10.1107/S1600536813018308","","","0.71075","MoKα","","0.0228","0.0224","","","0.0606","0.0608","","","","","","1.075","","","","has coordinates","245635","2020-10-21","18:00:00",""
"2311313","11.213","0.013","14.231","0.017","9.582","0.015","90","","116.76","0.03","90","","1365","3","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","2-Amino-<i>N</i>-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","","- C15 H15 F N2 O S -","- C15 H15 F N2 O S -","- C60 H60 F4 N8 O4 S4 -","4","1","HB7493","Chandra Kumar, K.; Umesh, V.; Madhura, T. K.; Rajesh, B. M.; Chandra, ?","Crystal structure of 2-amino-N-(2-fluoro-phen-yl)-4,5,6,7-tetra-hydro-1-benzo-thio-phene-3-carboxamide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o807","8","10.1107/S2056989015018022","","","0.71073","MoKα","","0.0426","0.0379","","","0.0795","0.0806","","","","","","1.836","","","","has coordinates","245784","2020-10-21","18:00:00",""
"2311463","5.9049","0.0001","21.933","0.0004","12.0194","0.0002","90","","103.445","0.001","90","","1514","0.05","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexamethylenetetraminium 2-chloro-4-nitro-benzoate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0269","0.0256","","","0.0651","0.0659","","","","","","1.067","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311625","18.1224","0.0017","7.8055","0.0006","12.5057","0.0013","90","","132.207","0.009","90","","1310.3","0.3","301","","301","","","","","","","","","3","C 1 c 1","C -2yc","9","","3-Methyl-1,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","HB7053","Manjula, M.; Jayaroopa, P.; Manjunath, B. C.; Ajay Kumar, K.; Lokanath, N. K.","3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o602","","10.1107/S1600536813007575","","","0.71073","MoKα","","0.0524","0.0373","","","0.1154","0.1307","","","","","","0.905","","","","has coordinates","246039","2020-10-21","18:00:00",""
"2311674","10.3885","0.0003","16.7902","0.0004","8.9064","0.0002","90","","97.704","0.002","90","","1539.48","0.07","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","p-nitrobenzylidene-p-phenylaminoaniline","N-[4-(4-Nitrobenzylideneamino)phenyl]phenylamine","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","AO5005","Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos","Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","416","426","10.1107/S2052520615008859","","","0.71073","MoKα","","0.0491","0.0358","","","0.0835","0.087","","","","","","1.003","","","","has coordinates","246079","2020-10-21","18:00:00",""
"2311732","15.2831","0.0009","4.8177","0.0003","19.0386","0.0011","90","","103.74","0.003","90","","1361.69","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C60 H40 F24 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0339","0.0312","","","0.068","0.0693","","","","","","1.061","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311899","5.9758","0.0005","36.456","0.003","24.363","0.002","90","","91.997","0.003","90","","5304.3","0.8","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C264 H216 Fe24 O36 -","12","3","YF3122","Tazi, Mehdi; Roisnel, Thierry; Mongin, Florence; Erb, William","Ferrocenecarboxylic anhydride: identification of a new polymorph.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","760","766","10.1107/S205322961701124X","","","0.71073","MoKα","","0.0509","0.049","","","0.1181","0.1189","","","","","","1.106","","","","has coordinates","246158","2020-10-21","18:00:00",""
"2311923","8.6692","0.0017","21.933","0.004","11.12","0.002","90","","110.77","0.03","90","","1977","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[aqua(μ-benzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^)[μ-2-(1<i>H</i>-imidazol-1-ylmethyl)-6-methyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^:<i>N</i>^3^]cadmium(II)]","","- C20 H18 Cd N4 O5 -","- C20 H18 Cd N4 O5 -","- C80 H72 Cd4 N16 O20 -","4","1","","Yang, Huai Xia; Yang, Yan Qiu; Cheng, Di; Li, Ya Xue; Meng, Xiang Ru","A new two-dimensional Cd<sup>II</sup> coordination polymer based on 2-(1H-imidazol-1-ylmethyl)-6-methyl-1H-benzimidazole and benzene-1,2-dicarboxylate: synthesis, crystal structure and characterization.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","828","832","10.1107/S2053229617013080","","","0.71073","MoKα","","0.0299","0.028","","","0.0557","0.0568","","","","","","1.097","","","","has coordinates","246168","2020-10-21","18:00:00",""
"2312044","22.657","0.01","5.4399","0.0018","19.086","0.006","90","","99.967","0.007","90","","2316.9","1.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C104 H80 Cl8 N16 -","4","1","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71073","MoKα","","0.0703","0.0465","","","0.1076","0.1228","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:35",""
"2312279","7.6312","0.0003","33.5293","0.0012","7.3493","0.0003","90","","114.298","0.001","90","","1713.88","0.12","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-(Propan-2-ylidene)pyridine-4-carbohydrazide; 1-naphthoic acid","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0479","0.0429","","","0.1173","0.1218","","","","","","1.076","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:06",""
"3000077","13.5871","0.0006","16.9298","0.0007","11.026","0.0005","90","","120.125","0.001","90","","2193.71","0.17","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C8 H8 O3 -","","","","","","Sritharan","","To be published in CrystEngComm","","","","","","","","","0.71073","MoKα","","0.0395","0.0338","","","0.0918","0.0959","","","","","","1.093","","","","","184458","2020-10-21","18:00:00","2016-12-14"
"3000078","13.602","0.0008","16.9266","0.001","11.0355","0.0011","90","","120.19","0.001","90","","2196.1","0.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","","","","","- C8 H8 O3 -","","","","","","Sritharan","","To be published in CrystEngComm","","","","","","","","","0.71073","MoKα","","0.0386","0.0334","","","0.0929","0.0973","","","","","","1.084","","","","","184459","2020-10-21","18:00:00","2016-12-14"
"3000086","13.50411","","16.84693","","10.97988","","90","","120.039","","90","","2162.44","","","","","","","","","","","","","3","C 1 c 1","C -2yc","","","Methyl p-hydroxybenzoate","","- C8 H8 O3 -","","","","","","SRINIVASANK","' MHBSOLUTIONS'","To be published in crystengcomm","","","","","","","","","","X-ray","","","","","","","","","12.0762","","","","","","","","","186627","2020-10-21","18:00:00","2017-02-17"
"3500024","5.7567","0.0002","25.8548","0.0011","8.7938","0.0004","90","","100.04","0.002","90","","1288.81","0.09","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","4-Acetamidophenyl salicylate","4-Acetamidophenyl 2-hydroxybenzoate","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C60 H52 N4 O16 -","4","1","","Thierry Maris","4-Acetamidophenyl 2-hydroxybenzoate","Personal communication to COD","2015","","","","","","","x-ray","1.54178","CuKα","","0.0411","0.0411","","","0.0954","0.0954","","","","","","1.135","","","","has coordinates,has Fobs","137673","2020-10-21","18:00:00",""
"4000029","8.6139","0.0004","14.929","0.001","9.3109","0.0004","90","","106.541","0.004","90","","1147.82","","293","","293","","","","","","","","solvothermal synthesis","6","C 1 c 1","C -2yc","9","","ethyldiammonium gallium dihydrogen phosphate diphosphate","","- C2 H12 Ga N2 O11 P3 -","- C2 H12 Ga N2 O11 P3 -","- C8 H48 Ga4 N8 O44 P12 -","4","1","","Chippindale, Ann M.","Amine-Templated Unidimensional Phosphate‒Diphosphates of Gallium and Vanadium, [NH~3~CH~2~CH~2~NH~3~][M(H~2~PO~4~)(P~2~O~7~)] (M = Ga, V)","Chemistry of Materials","2000","12","3","818","822","10.1021/cm990578b","","","1.5418","CuKα","","","0.0439","","","0.0503","","","","","1.1104","1.1104","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000053","10.3518","0.0008","22.4134","0.0018","8.3186","0.0007","90","","126.149","0.001","90","","1558.5","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0277","0.0255","","","0.0664","0.0677","","","","","","1.041","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000054","12.0137","0.0002","22.3435","0.0004","7.7738","0.0001","90","","123.509","0.001","90","","1739.89","0.05","198","2","198","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H14 Cd N2 O5 -","- C16 H12 Cd N2 O5 -","- C64 H48 Cd4 N8 O20 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0545","0.0536","","","0.1444","0.1472","","","","","","1.068","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000064","21.8745","0.0012","15.1576","0.0008","32.8632","0.0018","90","","102.997","0.001","90","","10617.1","1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H25.75 N2.25 O4.75 Zn -","- C31.5 H20 N2.25 O4.75 Zn -","- C504 H320 N36 O76 Zn16 -","16","4","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1789","0.0658","","","0.1502","0.1936","","","","","","0.87","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000253","4.6415","0.0013","18.695","0.005","6.4964","0.0018","90","","99.907","0.004","90","","555.3","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H5 O3 P Sn -","- C2 H5 O3 P Sn -","- C8 H20 O12 P4 Sn4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.0711","0.0703","","","0.1818","0.183","","","","","","1.102","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000268","14.932","0.003","8.976","0.003","10.1","0.004","90","","127.96","0.03","90","","1067.3","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","","","Chemistry of Materials","2003","","","","","","","","0.7093","MoKα","","0.047","0.0434","","","0.1147","0.1176","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000572","32.016","0.007","16.227","0.004","19.156","0.005","90","","92.954","0.012","90","","9939","4","98","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","(G2)2:LiTFSI","","- C14 H28 F6 Li N O10 S2 -","- C14 H28 F6 Li N O10 S2 -","- C224 H448 F96 Li16 N16 O160 S32 -","16","4","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000594","15.7","0.005","13.05","0.005","26.98","0.005","90","0.005","105.713","0.005","90","0.005","5321","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Co5 Mo5 N5 O14 -","- Co5 Mo10 N9 O54 -","- Co20 Mo40 N36 O216 -","4","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0503634","","","","","","","","","","","","","","","","","","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4000621","9.5669","0.0002","9.5023","0.0002","10.3717","0.0003","90","","93.474","0.002","90","","941.13","0.04","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Ca O6 P2 -","- Ca O6 P2 -","- Ca8 O48 P16 -","8","2","","","Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains","Chemistry of Materials","2005","","","","","10.1021/cm050984x","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000763","11.185","0.0018","6.4007","0.001","14.191","0.002","90","","104.634","0.002","90","","983","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Uranyl Fluoroborate Hydrate","","","- B5 F Na O12 U -","- B5 F Na O12 U -","- B20 F4 Na4 O48 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0177","0.0164","","","0.0342","0.0347","","","","","","0.772","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000766","11.1442","0.0016","6.4828","0.0009","13.874","0.002","90","","95.462","0.002","90","","997.8","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Rubidium Uranyl Fluoroborate","","","- B5 F O11 Rb U -","- B5 F O11 Rb U -","- B20 F4 O44 Rb4 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0142","0.0136","","","0.0325","0.0328","","","","","","0.952","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000768","11.1753","0.0016","6.3975","0.0009","14.113","0.002","90","","104.93","0.002","90","","974.9","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Neptunium (VI) Fluoroborate Hydrate","","","- B5 F Na Np O12 -","- B5 F Na Np O12 -","- B20 F4 Na4 Np4 O48 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0175","0.0168","","","0.0343","0.0345","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000835","4.6232","0.0009","8.008","0.003","14.182","0.003","90","","90","0.03","90","","525.1","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- B2 Be2 Ca F Na O6 -","- B2 Be2 Ca F Na O6 -","- B8 Be8 Ca4 F4 Na4 O24 -","4","1","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0604","0.0546","","","0.1285","0.1304","","","","","","0.999","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000897","7.4043","0.00031","7.21277","0.00026","7.28756","0.00031","90","","118.346","0.0017","90","","342.53","0.02","300","","300","","","","","","","","","3","C 1 c 1","C -2yc","9","beta_MoOPO4","","","- Mo O5 P -","- Mo O5 P -","- Mo4 O20 P4 -","4","1","","Lister, Sarah E.; Rixom, Victoria J.; Evans, John S. O.","Structural and Mechanistic Studies of the Dehydration of MoO2PO3OH·H2O and the In situ Identification of Two New Molybdenum Phosphates","Chemistry of Materials","2010","22","18","5279","","10.1021/cm101429u","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000958","11.1473","0.0011","6.4441","0.0006","23.756","0.002","90","","90.87","0.001","90","","1706.3","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Sodium Uranyl borate","","","- B10 Na O24 U2 -","- B10 Na O24 U2 -","- B40 Na4 O96 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0429","0.0348","","","0.0636","0.0663","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000960","6.3905","0.0009","11.139","0.0015","15.988","0.002","90","","92.777","0.002","90","","1136.7","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Unranyl Borate Dihydrate","","","- B6 H Na O15 U -","- B6 H Na O15 U -","- B24 H4 Na4 O60 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0442","0.0416","","","0.1025","0.1041","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000961","11.1689","0.001","6.4541","0.0006","28.216","0.002","90","","99.146","0.001","90","","2008.1","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thallium uranyl borate","","","- B11 O24 Tl2 U2 -","- B11 O24 Tl2 U2 -","- B44 O96 Tl8 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0284","0.0269","","","0.0615","0.0621","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000962","6.4506","0.0008","11.21","0.0014","27.531","0.004","90","","94.387","0.001","90","","1985","0.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thallium uranyl borate","","","- B11 O25 Tl2 U2 -","- B11 O25 Tl2 U2 -","- B44 O100 Tl8 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0338","0.0302","","","0.0548","0.0561","","","","","","0.962","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000964","11.1568","0.0015","6.4424","0.0009","25.328","0.004","90","","95.919","0.001","90","","1810.8","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thallium uranyl borate","","","- B10 O23 Tl U2 -","- B10 O23 Tl0.99 U2 -","- B40 O92 Tl3.96 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0348","0.0325","","","0.0743","0.0755","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001022","9.5109","0.0017","21.228","0.004","6.4158","0.0012","90","","96.675","0.003","90","","1286.6","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H14 N4 Pt -","- C10 H14 N4 Pt -","- C40 H56 N16 Pt4 -","4","1","","Drew, Steven M.; Smith, Lisa I.; McGee, Kari A.; Mann, Kent R.","A Platinum(II) Extended Linear Chain Material That Selectively Uptakes Benzene","Chemistry of Materials","2009","21","14","3117","","10.1021/cm900401u","","","0.71073","MoKα","","0.0321","0.0252","","","0.0491","0.0507","","","","","","0.995","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001047","13.6623","0.0005","13.9688","0.0006","18.0454","0.0009","90","","111.235","0.003","90","","3210.1","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H39 B2 Li2 N13 O -","- C27 H39 B2 Li2 N13 O -","- C108 H156 B8 Li8 N52 O4 -","4","1","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.118","0.096","","","0.2684","0.2889","","","","","","1.058","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001235","7.6325","","16.5001","","6.9985","","90","","119.501","","90","","767.098","","","","823","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- O4.5 Pb V1.5 -","- O2.25 Pb0.5 V0.75 -","- O36 Pb8 V12 -","16","4","","Mentré, O.; Koo, H.-J.; Whangbo, M.-H.","Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9and Pb2As2VO9","Chemistry of Materials","2008","20","22","6929","","10.1021/cm800924j","","","0.71073","MoKα","","0.0602","0.0501","","","0.0576","0.0659","","","","0.86","0.86","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001394","13.6835","0.0014","19.981","0.002","6.7535","0.0007","90","","94.514","0.002","90","","1840.7","0.3","273","2","273","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Calcium catena-polyphosphate","","- Ca O6 P2 -","- Ca O6 P2 -","- Ca16 O96 P32 -","16","4","","Weil, Matthias; Puchberger, Michael; Schmedt auf der Günne, Jörn; Weber, Johannes","Synthesis, Crystal Structure, and Characterization (Vibrational and Solid-State31P MAS NMR Spectroscopy) of the High-Temperature Modification of Calciumcatena-Polyphosphate(V)","Chemistry of Materials","2007","19","21","5067","","10.1021/cm071239i","","","0.71073","MoKα","","0.0672","0.0561","","","0.1205","0.1263","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001623","27.6","0.02","5.633","0.004","7.961","0.007","90","","95.498","0.012","90","","1232","1.7","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H8 F3 N O2 -","- C15 H8 F3 N O2 -","- C60 H32 F12 N4 O8 -","4","1","","Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro","Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds","Chemistry of Materials","2012","24","4","671","","10.1021/cm202650u","","","0.71075","MoKα","","","0.0615","","","","0.1543","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001782","12.522","0.003","7.2137","0.0014","7.7692","0.0016","90","","120.96","0.03","90","","601.8","0.3","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Li2 Se3 Sn -","- Li2 Se3 Sn -","- Li8 Se12 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0623","0.0623","","","0.1634","0.1634","","","","","","1.117","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001793","8.007","0.003","15.91","0.005","13.916","0.005","90","","101.318","0.004","90","","1738.3","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 F Lu Na4 O8 -","- C3 F Lu Na4 O9 -","- C24 F8 Lu8 Na32 O72 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0201","0.019","","","0.0367","0.0371","","","","","","1.008","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4001794","7.073","0.006","29.77","0.02","6.909","0.007","90","","111.924","0.015","90","","1350","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 F2 Lu Na3 O6 -","- C2 F2 Lu Na3 O6 -","- C16 F16 Lu8 Na24 O48 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0439","0.0355","","","0.0967","0.1054","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001879","28.773","0.006","16.615","0.003","16.794","0.003","90","","124.45","0.03","90","","6621","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H24 N6 Ni3 O18 -","- C39 H21 N6 Ni3 O18 -","- C156 H84 N24 Ni12 O72 -","4","1","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.65","synchrotron","","0.2404","0.1554","","","0.354","0.4137","","","","","","1.007","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4002039","12.997","0.006","13.035","0.006","13.301","0.006","90","","91.472","0.005","90","","2252.7","1.8","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H18 I4 O4 -","- C18 H18 I4 O4 -","- C72 H72 I16 O16 -","4","1","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.0419","0.0399","","","0.0919","0.093","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002155","7.188","0.005","23.171","0.019","7.044","0.005","90","","116.25","0.03","90","","1052.2","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ga2 Pb Se6 Si -","- Ga2 Pb Se6 Si -","- Ga8 Pb4 Se24 Si4 -","4","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan","PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals","Chemistry of Materials","2015","27","3","914","","10.1021/cm504195x","","","0.71073","MoKα","","0.0503","0.0368","","","0.0774","0.1209","","","","","","0.962","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002168","10.8196","0.0008","7.2809","0.0004","11.326","0.0009","90","","107.695","0.008","90","","850.01","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Al B4 H18 N -","- Al B4 H18 N -","- Al4 B16 H72 N4 -","4","1","","Dovgaliuk, Iurii; Le Duff, Cécile S.; Robeyns, Koen; Devillers, Michel; Filinchuk, Yaroslav","Mild Dehydrogenation of Ammonia Borane Complexed with Aluminum Borohydride","Chemistry of Materials","2015","27","3","768","","10.1021/cm503601h","","","0.71073","MoKα","","0.0895","0.0645","","","0.1618","0.1801","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002326","12.736","","7.3392","","15.061","","90","","105.29","","90","","1357.95","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rb2 (Ti Si6 O15)","","- O15 Rb2 Si6 Ti -","- O15 Rb2 Si6 Ti -","- O60 Rb8 Si24 Ti4 -","4","1","","Nyman, M.; Bonhomme, F.; Maxwell, R.S.; Nenoff, T.M.","First Rb silicotitanate phase and its K-structural analogue: new members of the SNL-A family (Cc - A2 Ti Si6 O15; A = K, Rb, Cs)","Chemistry of Materials (1,1989-)","2001","13","","4603","4611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002327","12.57","","7.2534","","15.082","","90","","106.49","","90","","1318.55","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","K2 (Ti Si6 O15)","","- K2 O15 Si6 Ti -","- K2 O15 Si6 Ti -","- K8 O60 Si24 Ti4 -","4","1","","Nyman, M.; Bonhomme, F.; Maxwell, R.S.; Nenoff, T.M.","First Rb silicotitanate phase and its K-structural analogue: new members of the SNL-A family (Cc - A2 Ti Si6 O15; A = K, Rb, Cs)","Chemistry of Materials (1,1989-)","2001","13","","4603","4611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002533","11.8747","","6.486","","12.825","","90","","114.722","","90","","897.241","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","V (Mo S2)2","","- Mo2 S4 V -","- Mo1.998 S4 V1.002 -","- Mo15.984 S32 V8.016 -","8","2","","Vaqueiro, P.; Kosidowski, M.L.; Powell, A.V.","Structural distortions of the metal dichalcogenide units in A Mo2 S4 (A = V, Cr, Fe, Co) and magnetic and electrical properties","Chemistry of Materials (1,1989-)","2002","14","","1201","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002534","11.8431","","6.4964","","12.8221","","90","","113.949","","90","","901.57","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cr (Mo S2)2","","- Cr Mo2 S4 -","- Cr Mo2 S4 -","- Cr8 Mo16 S32 -","8","2","","Vaqueiro, P.; Kosidowski, M.L.; Powell, A.V.","Structural distortions of the metal dichalcogenide units in A Mo2 S4 (A = V, Cr, Fe, Co) and magnetic and electrical properties","Chemistry of Materials (1,1989-)","2002","14","","1201","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002535","11.8148","","6.5499","","13.014","","90","","114.455","","90","","916.748","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Fe (Mo S2)2","","- Fe Mo2 S4 -","- Fe Mo2 S4 -","- Fe8 Mo16 S32 -","8","2","","Vaqueiro, P.; Kosidowski, M.L.; Powell, A.V.","Structural distortions of the metal dichalcogenide units in A Mo2 S4 (A = V, Cr, Fe, Co) and magnetic and electrical properties","Chemistry of Materials (1,1989-)","2002","14","","1201","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002536","11.7966","","6.5504","","12.695","","90","","115.53","","90","","885.191","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Co (Mo S2)2","","- Co Mo2 S4 -","- Co Mo2 S4 -","- Co8 Mo16 S32 -","8","2","","Vaqueiro, P.; Kosidowski, M.L.; Powell, A.V.","Structural distortions of the metal dichalcogenide units in A Mo2 S4 (A = V, Cr, Fe, Co) and magnetic and electrical properties","Chemistry of Materials (1,1989-)","2002","14","","1201","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002945","30.02","0.04","10.205","0.013","7.762","0.01","90","","103.786","0.015","90","","2309","5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- I2 K Mo2 O12 Rb -","- I2 K1.0495 Mo2 O12 Rb0.9505 -","- I16 K8.396 Mo16 O96 Rb7.604 -","8","2","","Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie","Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses","Chemistry of Materials","2019","31","8","2992","","10.1021/acs.chemmater.9b00521","","","0.71073","MoKα","","0.0632","0.0534","","","0.1125","0.1195","","","","","","1.049","","","","has coordinates","220369","2020-10-21","18:00:00",""
"4003077","12.3353","0.0002","12.2206","0.0003","32.2371","0.0008","90","","94.296","0.001","90","","4845.92","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H45 I8 N4 Pb2 -","- C32 H45 I8 N4 Pb2 -","- C128 H180 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0395","0.0388","","","0.1038","0.1045","","","","","","1.125","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003110","9.8513","0.0003","34.8811","0.001","37.774","0.0011","90","","90.753","0.001","90","","12978.9","0.7","210","2","210","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C68 H94 S8 -","- C68 H94 S8 -","- C544 H752 S64 -","8","2","","Burnett, Edmund K.; Cherniawski, Benjamin P.; Rosa, Stephen J.; Smilgies, Detlef-M.; Parkin, Sean; Briseno, Alejandro L.","Breaking the Bimolecular Crystal: The Effect of Side-Chain Length on Oligothiophene/Fullerene Intercalation","Chemistry of Materials","2018","30","8","2550","","10.1021/acs.chemmater.7b04702","","","1.54178","CuKα","","0.1215","0.0761","","","0.1932","0.2245","","","","","","1.089","","","","has coordinates,has disorder","226216","2020-10-21","18:00:00",""
"4003155","25.688","0.005","12.212","0.003","17.076","0.007","90","","127.862","0.003","90","","4229","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H41 Cu N10 O12.5 P2 -","- C33 H33 Cu N10 O12.5 P2 -","- C132 H132 Cu4 N40 O50 P8 -","4","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.2004","0.1103","","","0.2813","0.3448","","","","","","1.044","","","","has coordinates,has disorder","231396","2020-10-21","18:00:00",""
"4003157","25.688","0.005","12.212","0.003","17.076","0.007","90","","127.862","0.003","90","","4229","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H34 Cu N10 O10 P2 -","- C32 H30 Cu N10 O10 P2 -","- C128 H120 Cu4 N40 O40 P8 -","4","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.1609","0.0992","","","0.2592","0.298","","","","","","0.894","","","","has coordinates,has disorder","231398","2020-10-21","18:00:00",""
"4003299","9.37","0.007","8.267","0.007","12.355","0.01","90","","92.172","0.009","90","","956.4","1.3","260","","260","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H10 Cl3 N Sn -","- C3 Cl3 N Sn -","- C12 Cl12 N4 Sn4 -","4","1","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71073","MoKα","","0.0815","0.0805","","","0.2178","0.2186","","","","","","1.065","","","","has coordinates","231503","2020-10-21","18:00:00",""
"4003402","38.8253","0.0014","8.9127","0.0003","8.8276","0.0003","90","","90.264","0.001","90","","3054.65","0.18","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H54 I14 N5 Pb4 -","- C17 H54 I14 N5 Pb4 -","- C34 H108 I28 N10 Pb8 -","2","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.0719","0.0467","","","0.1257","0.1399","","","","","","1.062","","","","has coordinates","231576","2020-10-21","18:00:00",""
"4003431","6.4244","0.0009","11.1727","0.0016","16.207","0.002","90","","94.208","0.004","90","","1160.2","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","NaUBO","","","- B12 Na2 O26 U2 -","- B12 Na2 O26 U2 -","- B24 Na4 O52 U4 -","2","0.5","","Liu, Wei; Song, Enhai; Cheng, Liwei; Song, Liping; Xie, Jian; Li, Guodong; Zhang, Yugang; Wang, Yanlong; Wang, Yaxing; Xia, Zhiguo; Chai, Zhifang; Wang, Shuao","Introducing Uranium as the Activator toward Highly Stable Narrow-Band Green Emitters with Near-Unity Quantum Efficiency","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03130","","","0.71073","MoKα","","0.0255","0.0243","","","0.0663","0.0668","","","","","","1.124","","","","has coordinates","242268","2020-10-21","18:00:00",""
"4003559","17.055","0.0006","10.0193","0.0003","37.8344","0.0014","90","","101.131","0.004","90","","6343.5","0.4","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H76 Br8 Cl4 N6 Sn -","- C50 H76 Br8 Cl4 N6 Sn -","- C200 H304 Br32 Cl16 N24 Sn4 -","4","1","","Xu, Liang-Jin; Lin, Haoran; Lee, Sujin; Zhou, Chenkun; Worku, Michael; Chaaban, Maya; He, Qingquan; Plaviak, Anna; Lin, Xinsong; Chen, Banghao; Du, Mao-Hua; Ma, Biwu","0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01254","","x-ray","0.71073","MoKα","","0.0335","0.0285","","","0.0569","0.058","","","","","","1.049","","","","has coordinates,has disorder","252252","2020-10-21","18:00:00",""
"4003829","17.44296","0.00016","6.93532","0.00007","10.32709","0.0001","90","","93.9042","0.0005","90","","1246.39","0.02","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetralithium cadmium ditin heptasulfide","","- Cd Li4 S7 Sn2 -","- Cd Li4 S7 Sn2 -","- Cd4 Li16 S28 Sn8 -","4","1","","Zhang, Jian-Han; Stoyko, Stanislav S.; Craig, Andrew J.; Grima, Pedro; Kotchey, Joshua W.; Jang, Joon I.; Aitken, Jennifer A.","Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li4CdSn2S7","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03268","","","0.71073","MoKα","","0.0145","0.0142","","","0.0385","0.0386","","","","","","1.126","","","","has coordinates","259262","2020-11-26","23:23:22",""
"4003959","49.493","0.0015","8.3269","0.0002","8.3253","0.0002","90","","90.008","0.002","90","","3431.05","0.16","296.99","0.11","296.99","","","","","","","","","5","C 1 c 1","C -2yc","9","Heptylammonium Methylammonium Lead Bromide","","","- C15 H39 Br7 N3 Pb2 -","- C15 H39 Br7 N3 Pb2 -","- C60 H156 Br28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71073","MoKα","","0.1035","0.0588","","","0.1604","0.169","","","","2.92","2.92","2.21","","","","has coordinates","266694","2021-06-25","23:09:19",""
"4003960","46.069","0.005","8.2722","0.0005","8.3454","0.0012","90","","90.852","0.017","90","","3180","0.6","273.01","0.15","273.01","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H38 Br7 N3 Pb2 -","- C13 H38 Br7 N3 Pb2 -","- C52 H152 Br28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71073","MoKα","","0.1832","0.0897","","","0.1882","0.2068","","","","3.5","3.5","2.11","","","","has coordinates","266695","2021-06-25","23:09:42",""
"4003961","52.952","0.005","8.3232","0.0007","8.3225","0.0007","90","","90.01","0.002","90","","3668","0.6","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","Octylammonium Methylammonium Lead Bromide","","","- C17 H46 Br7 N3 Pb2 -","- C17 H46 Br7 N3 Pb2 -","- C68 H184 Br28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","","0.71073","MoKα","","0.149","0.0717","","","0.1936","0.2333","","","","","","1.001","","","","has coordinates","266696","2021-06-25","23:10:05",""
"4003962","50.4324","0.0003","8.972","0.0004","8.8421","","90","","97.639","","90","","3965.36","0.18","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Octylammonium Methylammonium Lead iodide","","","- C17 H46 I7 N3 Pb2 -","- C17 H46 I7 N3 Pb2 -","- C68 H184 I28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71359","MoKα","","0.1315","0.064","","","0.1391","0.1467","","","","4.06","4.06","2.96","","","","has coordinates","266697","2021-06-25","23:10:31",""
"4004020","19.55","0.004","10.108","0.002","17.163","0.003","90","","90","0.03","90","","3391.6","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H10 Bi I5 N2 -","- C6 H10 Bi I5 N2 -","- C48 H80 Bi8 I40 N16 -","8","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0667","0.056","","","0.1408","0.147","","","","","","1.01","","","","has coordinates","267754","2021-07-26","22:38:08",""
"4004065","20.5433","0.0007","9.6018","0.0003","15.8277","0.0004","90","","102.817","0.003","90","","3044.27","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H22 Cd I4 N4 O2 -","- C24 H22 Cd I4 N4 O2 -","- C96 H88 Cd4 I16 N16 O8 -","4","1","","Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia","A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric","Chemistry of Materials","2022","34","4","1737","1745","10.1021/acs.chemmater.1c03906","","","0.71073","MoKα","","0.0313","0.0298","","","0.0817","0.0827","","","","","","1.127","","","","has coordinates","273279","2022-03-03","22:43:11",""
"4020323","17.1273","0.0013","9.0809","0.0007","6.937","0.0005","90","","104.85","0.005","90","","1042.88","0.14","143","2","143","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","María Victoria Roux; Juan Z. Dávalos; Pilar Jiménez; Rafael Notario; Obis Castaño; James S. Chickos; William Hanshaw; Hui Zhao; Nigam Rath; Joel F. Liebman; Behzad S. Farivar; A. Bashir-Hashemi","","Journal of Organic Chemistry","2005","70","","5461","5470","10.1021/jo050471+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020341","5.439","0.0007","15.375","0.002","10.6474","0.0014","90","","98.727","0.002","90","","880.1","0.2","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","1","","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","178381","2020-10-21","18:00:00",""
"4020343","12.177","0.002","9.0889","0.0016","8.1797","0.0014","90","","98.466","0.003","90","","895.5","0.3","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","1","","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","178381","2020-10-21","18:00:00",""
"4020371","13.678","0.004","15.941","0.003","17.499","0.003","90","","103.49","0.02","90","","3710","1","301.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H46 N4 O8 Si -","- C34 H46 N4 O8 Si -","- C136 H184 N16 O32 Si4 -","4","1","","Ken-ichi Sato; Shoji Akai; Naoki Sugita; Tadatsugu Ohsawa; Tomokazu Kogure; Hirotsugu Shoji; Juji Yoshimura","Novel and Stereocontrolled Synthesis of (±)-Tetrodotoxin from myo-Inositol","Journal of Organic Chemistry","2005","70","","7496","7504","10.1021/jo050342t","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020402","4.354","0.004","22.74","0.02","12.12","0.01","90","","105.022","0.008","90","","1159","1.8","296.2","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Yoshihito Ueno; Takumi Kato; Kumiko Sato; Yasutomo Ito; Mahito Yoshida; Takumi Inoue; Aya Shibata; Masahiro Ebihara; Yukio Kitade","Synthesis and Properties of Nucleic Acid Analogues Consisting of a Benzene-Phosphate Backbone","Journal of Organic Chemistry","2005","70","","7925","7935","10.1021/jo050635m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020421","23.472","0.009","15.475","0.004","19.37","0.004","90","","125.82","0.02","90","","5705","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H45 N3 O5 -","- C25 H45 N3 O5 -","- C200 H360 N24 O40 -","8","2","","Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6746","6756","10.1021/jo050740w","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020459","16.8495","0.001","4.0353","0.0003","14.816","0.0009","90","","94.338","0.007","90","","1004.5","0.11","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H7 Br2 N O2 -","- C9 H7 Br2 N O2 -","- C36 H28 Br8 N4 O8 -","4","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020492","18.322","0.012","8.456","0.005","16.45","0.01","90","","114.74","0.02","90","","2314.7","2.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","diaF4-(15R,17S)","","","- C28 H36 N2 -","- C28 H36 N2 -","- C112 H144 N8 -","4","1","","Karine Jakubowicz; Yung-Sing Wong; Angèle Chiaroni; Michel Bénéchie; Christian Marazano","New Polycyclic Diamine Scaffolds from Dimerization of 3-Alkyl-1,4-dihydropyridines in Acidic Medium","Journal of Organic Chemistry","2005","70","","7780","7783","10.1021/jo050937o","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020711","16.419","0.003","8.0011","0.0014","17.43","0.005","90","","91.24","0.02","90","","2289.3","1","298","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H20 Cl N2 Na2 O16 -","- C13 H20 Cl2 N2 Na2 O16 -","- C52 H80 Cl8 N8 Na8 O64 -","4","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020745","15.733","0.0008","11.6432","0.0006","19.0192","0.001","90","","102.185","0.001","90","","3405.5","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 N4 O3 S -","- C16 H18 N4 O3 S -","- C128 H144 N32 O24 S8 -","8","2","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020822","11.3287","0.0004","21.4409","0.0008","14.6543","0.0006","90","","102.941","0.001","90","","3469.1","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H33 N7 O7 -","- C39 H33 N7 O7 -","- C156 H132 N28 O28 -","4","1","","Mickaël Pauvert; Patrick Laine; Marco Jonas; Olaf Wiest","Toward an Artificial Oxidative DNA Photolyase","Journal of Organic Chemistry","2004","69","","543","548","10.1021/jo0354600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020895","15.563","0.003","9.938","0.002","7.943","0.002","90","","97.24","0.03","90","","1218.7","0.4","140","1","140","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","1","","Robert A. Stockman; Alex Sinclair; Louise G. Arini; Peter Szeto; David L. Hughes","A Two-Directional Synthesis of (±)-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2004","69","","1598","1602","10.1021/jo035639a","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4021056","11.207","0.001","12.006","0.002","10.625","0.001","90","","91.122","0.007","90","","1429.3","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Ramaiah Kumareswaran; Judith Gallucci; T. V. RajanBabu","Tuning the Acceptors in Catalyzed Cyclizations Initiated by Allenes. Silylstannylation/Cyclization of Allene-Aldehydes for Synthesis of Polyalkylated Indolizidines Including 223A Congeners","Journal of Organic Chemistry","2004","69","","9151","9158","10.1021/jo048580w","","","","","","","0.0309","","","0.0762","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021173","35.941","0.008","13.913","0.003","25.759","0.006","90","","116.022","0.004","90","","11574.8","4.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C51 H54 Cl N7 O11 -","- C51 H54 Cl N7 O11 -","- C408 H432 Cl8 N56 O88 -","8","2","","Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán","Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids","Journal of Organic Chemistry","2004","69","","6883","6885","10.1021/jo049113h","","","","","","","0.1476","","","0.3526","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021210","16.729","0.003","5.8591","0.0006","11.03","0.002","90","","124.594","0.005","90","","890","0.2","173.2","","173.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021231","15.6042","0.0006","8.7485","0.0004","11.0256","0.0005","90","","120.186","0.0019","90","","1301.04","0.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021328","17.421","0.003","14.72","0.002","20.772","0.004","90","","107.49","0.01","90","","5080.5","1.5","203","2","203","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H26 Cl2 N4 O10 -","- C22 H26 Cl2 N4 O10 -","- C176 H208 Cl16 N32 O80 -","8","2","","Bula Dutta; Pradip Bag; Bibhutosh Adhikary; Ulrich Flörke; Kamalaksha Nag","Efficient Proton-Templated Synthesis of 18- to 38-Membered Tetraimino(amino)diphenol Macrocyclic Ligands: Structural Features and Spectroscopic Properties","Journal of Organic Chemistry","2004","69","","5419","5427","10.1021/jo049787s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021369","31.737","0.002","7.5162","0.0007","8.4847","0.0005","90","","92.053","0.005","90","","2022.7","0.3","298","","298","","","","","","","","Synthesis","3","C 1 c 1","C -2yc","9","","(1R,3aS,4R,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-ol","","- C22 H26 O7 -","- C22 H26 O7 -","- C88 H104 O28 -","4","1","","Manat Pohmakotr; Attapol Pinsa; Tipwan Mophuang; Patoomratana Tuchinda; Samran Prabpai; Palangpon Kongsaeree; Vichai Reutrakul","General Strategy for Stereoselective Synthesis of 1-Substituted Exo,Endo-2,6-Diaryl-3,7-dioxabicyclo[3.3.0]octanes: Total Synthesis of (±)-Gmelinol","Journal of Organic Chemistry","2006","71","","386","389","10.1021/jo0519110","","x-ray","0.71073","MoKα","","0.0571","0.0506","","","0.1283","0.1347","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021392","19.959","0.003","9.1373","0.0002","12.091","0.002","90","","110.024","0.009","90","","2071.8","0.5","91","2","91","2","","","","","","","","5","C 1 c 1","C -2yc","9","Compound 14","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C96 H100 N4 O12 S4 -","4","1","","Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey","Studies of the Condensation of Sulfones with Ketones and Aldehydes","Journal of Organic Chemistry","2006","71","","553","556","10.1021/jo051947s","","","0.71073","MoKα","","0.0399","0.0369","","","0.0935","0.0957","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021439","9.1772","0.001","39.584","0.004","7.1107","0.0008","90","","92.663","0.002","90","","2580.3","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H19 Br Cl3 N3 O4 -","- C26 H19 Br Cl3 N3 O4 -","- C104 H76 Br4 Cl12 N12 O16 -","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","","0.0341","0.0315","","","0.074","0.0751","","","","","","1.036","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021485","6.917","0.002","20.548","0.008","8.673","0.003","90","","104.45","0.03","90","","1193.6","0.8","294.2","","294.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0413","","","","0.0562","","","","","","1.267","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021798","7.2726","0.0002","15.5701","0.0005","10.5727","0.0003","90","","102.539","0.001","90","","1168.65","0.06","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7-(4-Bromo-phenyl)-2-oxa-bicyclo[4.1.0]heptane- 7-carboxylic acid methyl ester","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0155","0.0152","","","0.038","0.038","","","","","","0.931","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021914","7.172","0.002","10.348","0.003","11.029","0.003","90","","104.856","0.011","90","","791.2","0.4","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","Paquette 1402","","","- C7 H11 N O3 S -","- C7 H11 N O3 S -","- C28 H44 N4 O12 S4 -","4","1","","Adam J. Preston; Judith C. Gallucci; Leo A. Paquette","Synthesis and Selected Reactions of a Bicyclic Sultam Having Sulfur at the Apex Position","Journal of Organic Chemistry","2006","71","","6573","6578","10.1021/jo0611162","","x-ray","0.71073","MoKα","","0.0467","0.0371","","","0.0813","0.0847","","","","","","1.042","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4022042","11.46","0.002","11.07","0.002","17.536","0.003","90","","100.395","0.01","90","","2188.1","0.7","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C96 H88 N8 O16 S8 -","8","2","","Leo A. Paquette; Robert D. Dura; Nathan Fosnaugh; Marshall Stepanian","Direct Comparison of the Response of Bicyclic Sultam and Lactam Dienes to Photoexcitation. Concerning the Propensity of Differing Bond Types to Bridgehead Nitrogen for Homolytic Cleavage","Journal of Organic Chemistry","2006","71","","8438","8445","10.1021/jo061404y","","x-ray","0.71073","MoKα","","0.0503","0.0416","","","0.0982","0.1023","","","","","","1.026","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022142","30.002","0.002","7.3588","0.0004","6.2049","0.0004","90","","90.467","0.002","90","","1369.88","0.14","298","","","","","","","","","","Lahti Group","4","C 1 c 1","C -2yc","9","","1-(4-methoxyphenylaminoxyl)-4-(1H-pyrrol-1-yl)-benzene","","- C17 H15 N2 O2 -","- C17 H15 N2 O2 -","- C68 H60 N8 O8 -","4","1","","Zeynep Delen; Paul M. Lahti","Crystallography and Magnetism of Two 1-(4-Nitroxylphenyl)pyrroles","Journal of Organic Chemistry","2006","71","","9341","9347","10.1021/jo0616299","","","0.71073","MoKα","","0.0766","0.0608","","","0.1029","0.1089","","","","","","1.279","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022253","9.6035","0.0008","19.58","0.003","17.734","0.003","90","","95.768","0.008","90","","3317.8","0.7","293.2","","293.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H43 N O8 -","- C34 H43 N O8 -","- C136 H172 N4 O32 -","4","1","","Kazunori Tsubaki; Tadamune Otsubo; Tatsuya Morimoto; Hiromi Maruoka; Mika Furukawa; Yashima Momose; Muhong Shang; Kaoru Fuji","Modification of the Upper Rim of Homooxacalix[3]arenes and Complexation between a Nitrohomooxacalix[3]arene Derivative and n-Hexylamine","Journal of Organic Chemistry","2002","67","","8151","8156","10.1021/jo026152p","","","1.5418","CuKα","","","0.1217","","","0.1727","","","","","1.62","1.62","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022397","9.997","0.004","26.118","0.005","12.236","0.009","90","","101.78","0.05","90","","3127","2","293.2","","293.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","?","- C30 H27 O6 -","- C120 H108 O24 -","4","1","","Samah Simaan; Jay S. Siegel; Silvio E. Biali","Tris(arylmethyl) Derivatives of 1,3,5-Trimethoxy- and 1,3,5-Triethylbenzene","Journal of Organic Chemistry","2003","68","","3699","3701","10.1021/jo034016u","","","1.5418","CuKalpha","","","0.068","","","0.081","","","","","4.08","4.08","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022483","12.331","0.009","11.235","0.005","8.528","0.002","90","","94.05","0.04","90","","1179","1","294.2","","294.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Qunzhao Wang; Omar W. Steward","Cyclic Alkenenitriles: Synthesis, Conjugate Addition, and Stereoselective Annulation","Journal of Organic Chemistry","2003","68","","7646","7650","10.1021/jo0345291","","","0.7107","MoKα","","","0.0466","","","","0.0537","","","","","","1.237","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022530","4.47","0.0006","23.896","0.003","9.34","0.0013","90","","99.376","0.007","90","","984.3","0.2","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Marcus H. Holschbach; Dionisia Sanz; Rosa M. Claramunt; Lourdes Infantes; Sam Motherwell; Paul R. Raithby; María Luisa Jimeno; David Herrero; Ibon Alkorta; Nadine Jagerovic; José Elguero","Structure of a 4-Nitroso-5-aminopyrazole and Its Salts: Tautomerism, Protonation, and E/Z Isomerism","Journal of Organic Chemistry","2003","68","","8831","8837","10.1021/jo034833u","","","0.71073","MoKα","","0.0564","0.0461","","","0.1022","0.1078","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022753","17.5244","0.0014","7.44","0.0005","12.9055","0.001","90","","129.607","0.003","90","","1296.36","0.17","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C13 H16 O3 Si -","- C13 H16 O3 Si -","- C52 H64 O12 Si4 -","4","1","","Philip J. Parsons; Alexander J. Waters; Daryl S. Walter; Johnathan Board","A New Route to Highly Functionalized Heterocyclic Rings","Journal of Organic Chemistry","2007","72","","1395","1398","10.1021/jo062305n","","x-ray","0.71073","MoKα","","0.0624","0.0576","","","0.1554","0.1648","","","","","","0.846","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023132","13.194","0.007","7.575","0.003","9.979","0.002","90","","100.2","0.02","90","","981.6","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C7 H10 O4 S2 -","- C7 H10 O4 S2 -","- C28 H40 O16 S8 -","4","1","","Flavio Cermola; Annalisa Guaragna; Maria Rosaria Iesce; Giovanni Palumbo; Raffaella Purcaro; Maria Rubino; Angela Tuzi","New Insight into the Reaction of Singlet Oxygen with Sulfur-Containing Cyclic Alkenes: Dye-Sensitized Photooxygenation of 5,6-Dihydro-1,4-dithiins","Journal of Organic Chemistry","2007","72","","10075","10080","10.1021/jo701983v","","x-ray","0.71069","MoKα","","0.0689","0.0397","","","0.0908","0.0996","","","","","","1.045","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023200","8.1368","0.0009","15.1887","0.0017","12.7747","0.0014","90","","103.075","0.002","90","","1537.9","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H18 O3 S2 -","- C15 H18 O3 S2 -","- C60 H72 O12 S8 -","4","1","","Marino J. E. Resendiz; Jennifer Taing; Saeed I. Khan; Miguel A. García-Garibay","Unexpected Solid-State Photochemistry of an α-Thiophenyl-α'-Thiophenyl-S,S-dioxo-Substituted Ketone","Journal of Organic Chemistry","2008","73","","638","643","10.1021/jo702127g","","","0.71073","MoKα","","0.0417","0.037","","","0.0997","0.1027","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023201","8.707","0.0007","26.568","0.002","7.4528","0.0006","90","","116.506","0.001","90","","1542.8","0.2","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H18 O5 S2 -","- C15 H18 O5 S2 -","- C60 H72 O20 S8 -","4","1","","Marino J. E. Resendiz; Jennifer Taing; Saeed I. Khan; Miguel A. García-Garibay","Unexpected Solid-State Photochemistry of an α-Thiophenyl-α'-Thiophenyl-S,S-dioxo-Substituted Ketone","Journal of Organic Chemistry","2008","73","","638","643","10.1021/jo702127g","","","0.71073","MoKα","","0.0249","0.0244","","","0.0676","0.0679","","","","","","1.081","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023403","4.2404","0.0001","22.1197","0.0006","7.9235","0.0002","90","","100.23","0.002","90","","731.38","0.03","100","2","","","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C7 H7 N O4 -","- C7 H7 N O4 -","- C28 H28 N4 O16 -","4","1","","Patricia Martínez-Bescos; Fernando Cagide-Fagín; Luis F. Roa; Juan Carlos Ortiz-Lara; Krzysztof Kierus; Lidia Ozores-Viturro; Marta Fernández-González; Ricardo Alonso","Synthesis, Structure, and E-Z Isomerization of β-(Hetero)aryl-α,β-enals","Journal of Organic Chemistry","2008","73","","3745","3753","10.1021/jo702731b","","x-ray","0.7107","MoKα","","0.0385","0.0316","","","0.0656","0.0681","","","","","","1.063","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023512","15.5799","0.0015","27.514","0.003","9.2074","0.0009","90","","92.224","0.002","90","","3943.9","0.7","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H45 N6 O7.5 -","- C42 H42 N6 O7.5 -","- C168 H168 N24 O30 -","4","1","","Hyuma Masu; Takako Kato; Masahide Tominaga","Chiral Spherical Molecule Constructed from Aromatic Amides: Facile Synthesis and Highly Ordered Network Structure in the Crystal","Journal of Organic Chemistry","2008","73","","5143","5146","10.1021/jo800585h","","","0.71073","MoKα","","0.0912","0.0604","","","0.1464","0.1676","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023655","15.672","0.01","21.972","0.013","26.858","0.017","90","","102.773","0.007","90","","9019","10","113","2","113","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C83.75 H98.5 Cl1.5 F12 N2 O18.5 P2 -","- C83.76 H97.52 Cl1.52 F12 N2 O18.5 P2 -","- C335.04 H390.08 Cl6.08 F48 N8 O74 P8 -","4","1","","Jian-Min Zhao; Qian-Shou Zong; Tao Han; Jun-Feng Xiang; Chuan-Feng Chen","Guest-Dependent Complexation of Triptycene-Based Macrotricyclic Host with Paraquat Derivatives and Secondary Ammonium Salts: A Chemically Controlled Complexation Process","Journal of Organic Chemistry","2008","73","","6800","6806","10.1021/jo801170t","","","0.7107","MoKα","","0.1503","0.1305","","","0.3398","0.3638","","","","","","1.223","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023665","13.059","0.004","11.001","0.003","15.34","0.004","90","","97.15","0.02","90","","2186.6","1.1","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H9 I N2 S -","- C10 H9 I N2 S -","- C80 H72 I8 N16 S8 -","8","2","","Prosper Nshimyumukiz; Olivier Fasbender; Bernard Tinant; Jacqueline Marchand-Brynaert; Francis Darro; Raphaël Robiette","Divergent and Regioselective Synthesis of 1,2,4- and 1,2,5-Trisubstituted Imidazoles","Journal of Organic Chemistry","2008","73","","6816","6823","10.1021/jo801256b","","","0.71069","MoKα","","0.0352","0.0351","","","0.0953","0.0953","","","","","","1.106","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023717","24.252","0.005","13.88","0.003","26.057","0.005","90","","91.676","0.004","90","","8767","3","113","2","113","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C85.5 H89 Cl1.5 F12 K2 N1.5 O18 P2 -","- C85.5 H89 Cl1.5 F12 K2 N1.5 O18 P2 -","- C342 H356 Cl6 F48 K8 N6 O72 P8 -","4","1","","Tao Han; Chuan-Feng Chen","Efficient Potassium-Ion-Templated Synthesis and Controlled Destruction of [2]Rotaxanes Based on Cascade Complexes","Journal of Organic Chemistry","2008","73","","7735","7742","10.1021/jo801522f","","","0.7107","MoKα","","0.0868","0.0786","","","0.209","0.2213","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023816","8.211","0.0008","11.857","0.001","13.609","0.0012","90","","107.48","0.03","90","","1263.8","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","phenyl 4-chloro-2-nitrobenzoate","","- C13 H8 Cl N O4 -","- C13 H8 Cl N O4 -","- C52 H32 Cl4 N4 O16 -","4","1","","Stefania Butini; Emanuele Gabellieri; Paul Brady Huleatt; Giuseppe Campiani; Silvia Franceschini; Margherita Brindisi; Sindu Ros; Salvatore Sanna Coccone; Isabella Fiorini; Ettore Novellino; Gianluca Giorgi; Sandra Gemma","An Efficient Approach to Chiral C8/C9-Piperazino-Substituted 1,4-Benzodiazepin-2-ones as Peptidomimetic Scaffolds","Journal of Organic Chemistry","2008","73","","8458","8468","10.1021/jo8015456","","","0.71073","MoKα","","0.0299","0.0264","","","0.0608","0.0629","","","","","","1.065","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023967","11.3719","0.001","17.364","0.002","16.532","0.003","90","","99.11","0.005","90","","3223.4","0.7","150","2","150","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","Fraenkel 1469","","","- C32 H58 Li2 N2 -","- C32 H58 Li2 N2 -","- C128 H232 Li8 N8 -","4","1","","Gideon Fraenkel; Xiao Chen; Judith Gallucci; Yan Lu","Structural Distortions and Dynamic Behavior of the Elusive ""L""-Shaped cis-Bicyclo[3.3.0]octenyllithium: X-ray Crystallographic and NMR Studies","Journal of Organic Chemistry","2007","72","","4961","4965","10.1021/jo0706022","","x-ray","0.71073","MoKα","","0.0635","0.0544","","","0.1396","0.1471","","","","","","1.051","","","","has coordinates,has disorder","178418","2020-10-21","18:00:00",""
"4023992","11.1235","0.0012","20.633","0.002","7.1005","0.0008","90","","111.158","0.002","90","","1519.8","0.3","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H17 Br N4 -","- C17 H17 Br N4 -","- C68 H68 Br4 N16 -","4","1","","Zhidong Ma; Cynthia S. Day; Ulrich Bierbach","Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions","Journal of Organic Chemistry","2007","72","","5387","5390","10.1021/jo0705972","","","0.71073","MoKα","","0.0511","0.0484","","","0.1171","0.1193","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024176","14.64","0.006","14.217","0.006","10.196","0.004","90","","92.542","0.007","90","","2120.2","1.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H31 Cl3 O6 -","- C19 H31 Cl3 O6 -","- C76 H124 Cl12 O24 -","4","1","","Alexander O. Terent'ev; Maxim M. Platonov; Eduard J. Sonneveld; Rene Peschar; Vladimir V. Chernyshev; Zoya A. Starikova; Gennady I. Nikishin","New Preparation of 1,2,4,5,7,8-Hexaoxonanes","Journal of Organic Chemistry","2007","72","","7237","7243","10.1021/jo071072c","","","0.71073","MoKα","","0.0338","0.032","","","0.0856","0.0871","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024221","12.8503","0.0007","12.9078","0.0007","44.377","0.003","90","","97.186","0.001","90","","7303","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H28 N4 O2 -","- C18 H28 N4 O2 -","- C288 H448 N64 O32 -","16","4","","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","","0.0563","0.0438","","","0.1061","0.1124","","","","","","1.002","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024318","11.1724","0.0008","21.4002","0.0015","24.7859","0.0017","90","","96.294","0.002","90","","5890.4","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H76 Cl2 N6 O15 -","- C56 H75 Cl2 N6 O15 -","- C224 H300 Cl8 N24 O60 -","4","1","","Kelong Zhu; Shijun Li; Feng Wang; Feihe Huang","Anion-Controlled Ion-Pair Recognition of Paraquat by a Bis(m-phenylene)-32-crown-10 Derivative Heteroditopic Host","Journal of Organic Chemistry","2009","74","","1322","1328","10.1021/jo802683d","","","0.71073","MoKα","","0.118","0.0651","","","0.1698","0.227","","","","","","0.911","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024342","15.8347","0.0008","10.7323","0.0009","11.2665","0.0009","90","","97.153","0.004","90","","1899.8","0.2","293","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H23 F4 N O4 -","- C18 H23 F4 N O4 -","- C72 H92 F16 N4 O16 -","4","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","A Highly Regioselective Ring-Opening Metathesis-Cross Metathesis Process Modulated by the Electronic Effects of the Cross Metathesis Partner: An Entry to Quaternary Prolines","Journal of Organic Chemistry","2009","74","","1736","1739","10.1021/jo802399k","","","0.71073","MoKα","","0.0647","0.0467","","","0.095","0.1055","","","","","","1.059","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024630","18.008","0.002","11.96","0.001","7.8922","0.0007","90","","113.627","0.006","90","","1557.3","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C72 H56 O8 S8 -","4","1","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71073","MoKα","","0.0493","0.0406","","","0.099","0.1051","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024721","17.0031","0.0005","10.8154","0.0003","12.0798","0.0004","90","","122.394","0.002","90","","1875.73","0.1","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H24 O5 Si -","- C22 H24 O5 Si -","- C88 H96 O20 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0356","0.0346","","","0.0717","0.072","","","","","","1.468","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024913","7.5749","0.0012","25.133","0.004","10.4138","0.0016","90","","94.329","0.003","90","","1976.9","0.6","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H23 N O3 S3 -","- C18 H23 N O3 S3 -","- C72 H92 N4 O12 S12 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Ravindran Sasitha Vidyarini; Srinivasan Chandrasekaran","Direct Synthesis of Functionalized Unsymmetrical β-Sulfonamido Disulfides by Tetrathiomolybdate Mediated Aziridine Ring-Opening Reactions","Journal of Organic Chemistry","2009","74","","7958","7961","10.1021/jo901528e","","","0.71073","MoKα","","0.041","0.0367","","","0.0901","0.0928","","","","","","1.015","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4025068","29.549","0.01","5.6866","0.0018","15.507","0.005","90","","109.502","0.007","90","","2456.2","1.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","2","","Tao-Shan Jiang; Ri-Yuan Tang; Xing-Guo Zhang; Xin-Hua Li; Jin-Heng Li","Palladium-Catalyzed Intramolecular 5-exo-dig Hydroarylations of N-Arylpropiolamides: Thermodynamics-Controlled Stereoselective Synthesis of 3-Methyleneoxindoles","Journal of Organic Chemistry","2009","74","","8834","8837","10.1021/jo901963g","","","0.71073","MoKα","","0.103","0.0724","","","0.1283","0.1433","","","","","","1.043","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025268","9.189","0.001","22.095","0.002","9.5997","0.0011","90","","116.149","0.001","90","","1749.6","0.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Yang Ye; Linfei Wang; Renhua Fan","Aqueous Iodine(III)-Mediated Stereoselective Oxidative Cyclization for the Synthesis of Functionalized Fused Dihydrofuran Derivatives","Journal of Organic Chemistry","2010","75","","1760","1763","10.1021/jo902553k","","","0.71073","MoKα","","0.037","0.0326","","","0.0812","0.0848","","","","","","1.052","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025271","18.56","0.004","27.852","0.006","19.693","0.004","90","","92.36","0.03","90","","10171","4","113","2","113","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H94 F24 N6 O10 P4 -","- C96 H94 F24 N6 O10 P4 -","- C384 H376 F96 N24 O40 P16 -","4","1","","Yi Jiang; Jing Cao; Jian-Min Zhao; Jun-Feng Xiang; Chuan-Feng Chen","Synthesis of a Triptycene-Derived Bisparaphenylene-34-crown-10 and Its Complexation with Both Paraquat and Cyclobis(paraquat-p-phenylene)","Journal of Organic Chemistry","2010","75","","1767","1770","10.1021/jo902571n","","","0.71073","MoKα","","0.0917","0.0851","","","0.2352","0.2465","","","","","","1.034","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025413","8.111","0.0002","20.3758","0.0002","8.2664","0.0001","90","","117.055","0.002","90","","1216.67","0.04","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,6,2',6'-Tetrabromo-[3,4']bipyridinyl","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C40 H16 Br16 N8 -","4","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0319","0.0275","","","0.0646","0.066","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025537","27.448","0.003","23.608","0.003","19.66","0.002","90","","121.614","0.0014","90","","10849","2","250","2","250","2","","","","","","","","5","C 1 c 1","C -2yc","9","Ph2CB4@tetra-ammonium","Ph2CB4@tetra-ammonium","","- C82 H93 F33 N20 O44 -","- C82 H87 F33 N20 O44 -","- C328 H348 F132 N80 O176 -","4","1","","Da Ma; Peter Y. Zavalij; Lyle Isaacs","Acyclic Cucurbit[n]uril Congeners Are High Affinity Hosts","Journal of Organic Chemistry","2010","75","","4786","4795","10.1021/jo100760g","","","0.71073","MoKα","","0.0478","0.0412","","","0.0771","0.0796","","","","","","1","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025629","17.101","0.002","10.5638","0.0013","8.961","0.0011","90","","106.202","0.003","90","","1554.5","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C68 H64 O16 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.0575","0.0479","","","0.1218","0.1289","","","","","","1.034","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025885","8.591","0.0003","17.3404","0.0005","11.6781","0.0003","90","","109.251","0.002","90","","1642.42","0.09","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0239","0.0211","","","0.0409","0.0425","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025891","45.3","0.008","10.171","0.0017","13.213","0.002","90","","99.865","0.005","90","","5997.8","1.7","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H33 N3 O Si -","- C34 H33 N3 O Si -","- C272 H264 N24 O8 Si8 -","8","2","","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","","0.0754","0.0436","","","0.0885","0.0956","","","","","","0.869","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025971","25.425","0.008","8.233","0.003","16.032","0.005","90","","128.514","0.003","90","","2625.8","1.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Diethyl r-4-benzoyl-t-2-(4-anisyl)-c-5-phenyltetrahydrofuran-3,3-dicarboxylate","","- C30 H30 O7 -","- C30 H30 O7 -","- C120 H120 O28 -","4","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0879","0.0448","","","0.1015","0.1237","","","","","","1.03","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4026030","15.88","0.0015","9.9538","0.0009","15.133","0.0014","90","","107.287","0.001","90","","2284","0.4","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H23 O P -","- C29 H23 O P -","- C116 H92 O4 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0396","0.0381","","","0.0926","0.0938","","","","","","1.076","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026258","16.458","0.006","6.3995","0.0019","13.491","0.005","90","","115.273","0.01","90","","1284.9","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H10 Br2 O6 -","- C10 H10 Br2 O6 -","- C40 H40 Br8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.0658","0.0439","","","0.0998","0.1394","","","","","","1.102","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026479","10.7713","0.0012","18.247","0.002","17.767","0.002","90","","93.433","0.002","90","","3485.7","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C41 H57 K O3 -","- C41 H57 K O3 -","- C164 H228 K4 O12 -","4","1","","Kohei Ogawa; Koichi Komatsu; Toshikazu Kitagawa","Allyl Radical Nature of a Phenylcyclopentadienyl Radical Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2011","76","","6095","6100","10.1021/jo200748m","","","0.71073","MoKα","","0.105","0.0804","","","0.2369","0.3209","","","","","","1.453","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026606","14.723","0.002","9.6367","0.0014","10.5485","0.0016","90","","118.305","0.003","90","","1317.7","0.3","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.1417","0.1405","","","0.344","0.3471","","","","","","1.666","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026735","17.2161","0.0003","5.9583","0.0001","17.2485","0.0003","90","","116.211","0.001","90","","1587.39","0.05","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","1","","R. Frederick Lambert; Robert J. Hinkle; Stephen E. Ammann; Yajing Lian; Jia Liu; Shane E. Lewis; Robert D. Pike","Bi(OTf)3-, TfOH-, and TMSOTf- Mediated, One-Pot Epoxide Rearrangement, Addition, and Intramolecular Silyl-Modified Sakurai (ISMS) Cascade toward Dihydropyrans: Comparison of Catalysts and Role of Bi(OTf)3","Journal of Organic Chemistry","2011","76","","9269","9277","10.1021/jo201478d","","","1.54178","CuKα","","0.0284","0.0283","","","0.0748","0.0749","","","","","","1.043","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026739","14.3216","0.0005","14.1401","0.0005","20.2005","0.0007","90","","93.068","0.01","90","","4084.9","0.3","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","(7'RS,8a'SR)-7'-Benzoyl-2',3',7',8a'-tetraphenylspiro[fluorene-9,8'- pyrrolo[2,1-b][1,3]oxazine]-4',6'(7'H,8a'H)-dione","","- C51 H35 Cl2 N O4 -","- C51 H35 Cl2 N O4 -","- C204 H140 Cl8 N4 O16 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0843","0.0529","","","0.12","0.1322","","","","","","0.987","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026756","9.1381","0.0006","23.089","0.0009","8.4213","0.0006","90","","95.317","0.003","90","","1769.16","0.18","90","2","90","2","","","","","","","synthesized","4","C 1 c 1","C -2yc","9","","Methyl 2-{(E)-[4-(2-tert-butoxy-2-oxoethyl)phenyl]diazenyl}-2-methyl propanoate","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C68 H96 N8 O16 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0893","0.0783","","","0.2334","0.2472","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026807","22.9","0.03","9.06","0.011","18.57","0.02","90","","90.78","0.04","90","","3852","8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C160 H184 N8 O40 -","8","2","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0514","0.0394","","","0.0937","0.102","","","","","","1.022","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026825","19.9932","0.0019","19.5534","0.0018","12.3256","0.0012","90","","112.147","0.004","90","","4463","0.7","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2S,3S)-methyl 1-benzyl-5-oxo-2-phenyl-3-((S)-p-tolylsulfinyl) pyrrolidine-3-carboxylate","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","2","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","0.71073","MoKα","","0.036","0.0319","","","0.077","0.0795","","","","","","1.017","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026827","16.7047","0.001","10.6314","0.0007","10.7298","0.0007","90","","112.237","0.002","90","","1763.8","0.2","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","Compound 53, tetracycle","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","1.54178","CuKα","","0.0299","0.0299","","","0.0845","0.0845","","","","","","1.054","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026970","15.389","0.002","4.8134","0.0005","34.523","0.005","90","","90.643","0.008","90","","2557.1","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H30 N2 O2 S3 -","- C26 H30 N2 O2 S3 -","- C104 H120 N8 O8 S12 -","4","1","","Charlotte Mallet; Gurunathan Savitha; Magali Allain; Václav Kozmík; Jiří Svoboda; Pierre Frère; Jean Roncali","Synthesis and Electronic Properties of D-A-D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks","Journal of Organic Chemistry","2012","77","","2041","2046","10.1021/jo202412t","","x-ray","0.71073","MoKα","","","0.0402","","","","0.071","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027226","13.7031","0.0006","11.587","0.0006","9.2497","0.0006","90","","103.61","0.002","90","","1427.41","0.13","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0923","0.052","","","0.1356","0.1951","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027236","11.6744","0.0011","18.397","0.0011","7.8711","0.0007","90","","114.956","0.004","90","","1532.7","0.2","293.1","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H20 O8 -","- C14 H20 O8 -","- C56 H80 O32 -","4","1","","Arif Baran; Sinem Çambul; Mehmet Nebioglu; Metin Balci","Design, Synthesis, and Biological Activities of Some Branched Carbasugars: Construction of a Substituted 6-Oxabicyclo[3.2.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","5086","5097","10.1021/jo300655p","","","0.7107","MoKα","","","0.059","","","","0.083","","","","","","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027258","15.345","0.002","11.1876","0.0018","12.2187","0.0019","90","","103.406","0.002","90","","2040.5","0.5","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H25 N O10 -","- C17 H25 N O10 -","- C68 H100 N4 O40 -","4","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0355","0.0351","","","0.0889","0.0894","","","","","","1.087","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027318","11.1694","0.0003","14.4645","0.0006","14.2419","0.0005","90","","92.162","0.002","90","","2299.28","0.14","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H26 B O2 P -","- C27 H26 B O2 P -","- C108 H104 B4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0426","0.0414","","","0.1157","0.1174","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027407","14.4974","0.0006","15.9362","0.0007","12.8494","0.0005","90","","111.3","0.003","90","","2765.9","0.2","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H37 B O2 -","- C30 H37 B O2 -","- C120 H148 B4 O8 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1525","0.0782","","","0.2032","0.2416","","","","","","1.226","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027412","24.6918","0.0003","13.08924","0.00015","29.3558","0.0004","90","","90.7654","0.0011","90","","9486.9","0.2","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H59 Au2 F6 P2 S Sb -","- C46 H59 Au2 F6 P2 S Sb -","- C368 H472 Au16 F48 P16 S8 Sb8 -","8","2","","Richard J. Mudd; Paul C. Young; James A. Jordan-Hore; Georgina M. Rosair; Ai-Lan Lee","Gold(I)-Catalyzed Addition of Thiols and Thioacids to 3,3-Disubstituted Cyclopropenes","Journal of Organic Chemistry","2012","77","","7633","7639","10.1021/jo300930c","","","1.5418","CuKα","","0.0315","0.0313","","","0.0819","0.082","","","","","","1.041","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027834","8.2418","0.0007","21.0733","0.0017","14.2997","0.0012","90","","102.257","0.001","90","","2427","0.3","98","2","98","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 N2 O9 S -","- C24 H32 N2 O9 S -","- C96 H128 N8 O36 S4 -","4","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0264","0.0251","","","0.0635","0.0645","","","","","","1.019","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027953","12.228","0.0004","10.289","0.0004","11.5126","0.0004","90","","97.802","0.002","90","","1435.04","0.09","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Rivka R. R. Taylor; Robert A. Batey","A Hetero Diels-Alder Approach to the Synthesis of Chromans (3,4-Dihydrobenzopyrans) Using Oxonium Ion Chemistry: The Oxa-Povarov Reaction","Journal of Organic Chemistry","2013","78","","1404","1420","10.1021/jo302328s","","","0.71073","MoKα","","0.0601","0.0452","","","0.1043","0.1168","","","","","","1.077","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028341","9.3785","0.0004","14.7508","0.0005","18.4375","0.0008","90","","90.833","0.003","90","","2550.38","0.18","100","","100","","","","","","","","Synthesized by the authors. See text","3","C 1 c 1","C -2yc","9","","","","- C12 H24 O3 -","- C12 H24 O3 -","- C96 H192 O24 -","8","2","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.058","0.0507","","","0.1283","0.1329","","","","","","1.108","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028384","24.0196","0.0012","7.2186","0.0004","9.3086","0.0005","90","","99.49","0.001","90","","1591.91","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Chitra R. Edwankar; Rahul V. Edwankar; Ojas A. Namjoshi; Xuebin Liao; James M. Cook","Stereospecific Approach to the Synthesis of Ring-A Oxygenated Sarpagine Indole Alkaloids. Total Synthesis of the Dimeric Indole Alkaloid P-(+)-Dispegatrine and Six Other Monomeric Indole Alkaloids","Journal of Organic Chemistry","2013","78","","6471","6487","10.1021/jo400469t","","","0.71073","MoKα","","0.0345","0.0339","","","0.0928","0.0934","","","","","","0.861","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028388","21.6911","0.0005","11.2523","0.0003","7.7378","0.0002","90","","102.734","0.002","90","","1842.15","0.08","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C25 H19 O P -","- C25 H19 O P -","- C100 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0335","0.0301","","","0.0738","0.076","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028438","11.002","0.004","24.264","0.008","9.485","0.003","90","","123.324","0.014","90","","2115.7","1.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H28 Br N O2 -","- C22 H28 Br N O2 -","- C88 H112 Br4 N4 O8 -","4","1","","Shou-Jie Shen; Wei-Dong Z. Li","Formal Homoiodo Allylsilane Annulations: Dual Total Syntheses of (\±)-Hirsutene and (\±)-Capnellene","Journal of Organic Chemistry","2013","78","","7112","7120","10.1021/jo4009854","","","0.71073","MoKα","","0.0605","0.0358","","","0.0692","0.0766","","","","","","0.985","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028699","21.212","","13.035","","8.79","","90","","105.71","","90","","2339.63","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C108 H116 N4 O16 -","4","1","","Antonio Salomone; Filippo Maria Perna; Francesca Claudia Sassone; Aurelia Falcicchio; Jure Bezenšek; Jurij Svete; Branko Stanovnik; Saverio Florio; Vito Capriati","Preparation of Polysubstituted Isochromanes by Addition of ortho-Lithiated Aryloxiranes to Enaminones","Journal of Organic Chemistry","2013","78","","11059","11065","10.1021/jo401689e","","","0.71073","MoKα","","0.1773","0.0768","","","0.1435","0.1827","","","","","","0.99","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028810","30.2766","0.0012","10.3252","0.0004","19.7855","0.0006","90","","92.296","0.002","90","","6180.2","0.4","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H14 Cl2 O2 -","- C17 H14 Cl2 O2 -","- C272 H224 Cl32 O32 -","16","4","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0626","0.0442","","","0.1037","0.1171","","","","","","1.023","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028933","8.0353","0.0013","34.944","0.006","20.106","0.003","90","","95.283","0.003","90","","5621.5","1.6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H30 F2 I N2 O3.5 -","- C30 H30 F2 I N2 O3.5 -","- C240 H240 F16 I8 N16 O28 -","8","2","","Sañudo, María; García-Valverde, María; Marcaccini, Stefano; Delgado, Jacinto J.; Rojo, Josefa; Torroba, Tomás","Synthesis of Benzodiazepine β-Turn Mimetics by an Ugi 4CC/Staudinger/Aza-Wittig Sequence. Solving the Conformational Behavior of the Ugi 4CC Adducts","The Journal of Organic Chemistry","2009","74","5","2189","2192","10.1021/jo8025862","","","0.71073","MoKα","","0.0656","0.0617","","","0.1395","0.1516","","","","","","1.16","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4029067","6.0723","0.0009","37.105","0.003","8.4532","0.0011","90","","110.984","0.017","90","","1778.3","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-2-(4-Cinnamylpiperazin-1-yl)benzo[d]thiazole","","- C20 H21 N3 S -","- C20 H21 N3 S -","- C80 H84 N12 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0958","0.0515","","","0.072","0.0871","","","","","","0.992","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029115","22.236","0.005","11.456","0.003","8.0141","0.0017","90","","95.857","0.003","90","","2030.8","0.8","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 F N O4 S -","- C21 H24 F N O4 S -","- C84 H96 F4 N4 O16 S4 -","4","1","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Sridhar, B.; Singarapu, Kiran Kumar","Prins Cascade Cyclization for the Synthesis of 1,9-Dioxa-4-azaspiro[5.5]undecane Derivatives.","The Journal of organic chemistry","2014","79","5","2289","2295","10.1021/jo4027534","","","0.71073","MoKα","","0.0801","0.065","","","0.1642","0.1761","","","","","","1.073","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029134","12.012","","28.901","","8.702","","90","","105.7","","90","","2908.27","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H46 N4 S2 -","- C30 N4 S2 -","- C120 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0664","0.0547","","","0.1514","0.1638","","","","","","1.227","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029144","19.9358","0.0019","8.2953","0.0006","14.579","0.0014","90","","106.925","0.011","90","","2306.6","0.4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H37 Br N4 O5 -","- C21 H37 Br N4 O5 -","- C84 H148 Br4 N16 O20 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.056","0.0394","","","0.0661","0.0711","","","","","","0.909","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029151","17.4301","0.0008","16.1897","0.0006","6.7149","0.0003","90","","112.144","0.005","90","","1755.1","0.14","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Substitution Controlled Functionalization of ortho-Bromobenzylic Alcohols via Palladium Catalysis: Synthesis of Chromenes and Indenols.","The Journal of organic chemistry","2014","79","5","2059","2074","10.1021/jo402763m","","","1.54184","CuKα","","0.0521","0.047","","","0.1194","0.1347","","","","","","0.953","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029198","9.252","0.0006","19.5079","0.0012","10.9612","0.0007","90","","112.651","0.001","90","","1825.8","0.2","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0259","0.0249","","","0.064","0.065","","","","","","1.056","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029238","12.4481","0.0014","14.0884","0.0016","9.799","0.0011","90","","121.412","0.003","90","","1466.6","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0801","0.0523","","","0.1155","0.1312","","","","","","1.042","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029293","12.655","0.003","10.193","0.003","8.544","0.002","90","","102.529","0.006","90","","1075.9","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H19 O2 -","- C11 H19 O2 -","- C44 H76 O8 -","4","1","","Zhu, Jia-Liang; Wu, Sih-Ting; Shie, Jr-Yun","Access to Functionalized Bicyclo[4,3,0]nonenes via Palladium-Catalyzed Oxidative Cyclization of 2-Allylcyclohexyl Oximes.","The Journal of organic chemistry","2014","79","8","3623","3633","10.1021/jo5005422","","","0.71073","MoKα","","0.0571","0.0507","","","0.1379","0.1459","","","","","","1.042","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029439","46.9596","0.0011","12.7191","0.0003","20.5382","0.0005","90","","107.083","0.002","90","","11725.9","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H44 O8 -","- C28 H44 O8 -","- C448 H704 O128 -","16","4","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.3114","0.0619","","","0.1422","0.2927","","","","","","0.939","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029606","10.8805","0.0002","17.9631","0.0006","10.2119","0.0007","90","","110.147","0.008","90","","1873.77","0.18","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","rac-(R)-tert-butyl 2-((R)-3-acetyl-3,4-dihydroquinazolin-4-yl)-5-oxo-2,5 -dihydro-1H-pyrrole-1-carboxylate","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C76 H84 N12 O16 -","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","","0.0523","0.0434","","","0.1099","0.1376","","","","","","1.149","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029686","8.958","0.0004","17.1507","0.0009","11.2099","0.0005","90","","107.618","0.001","90","","1641.46","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","AMHX-184","sarpong80","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Hamlin, Amy M.; Lapointe, David; Owens, Kyle; Sarpong, Richmond","Studies on c20-diterpenoid alkaloids: synthesis of the hetidine framework and its application to the synthesis of dihydronavirine and the atisine skeleton.","The Journal of organic chemistry","2014","79","15","6783","6800","10.1021/jo501214b","","","1.54178","CuKα","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.02","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4029704","12.9","0.007","13.63","0.007","8.531","0.004","90","","90.176","0.016","90","","1500","1.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H23 N3 O -","- C14 H23 N3 O -","- C56 H92 N12 O4 -","4","1","","Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio","Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.","Beilstein journal of organic chemistry","2013","9","","1455","1462","10.3762/bjoc.9.165","","","0.71073","MoKα","","0.0805","0.0681","","","0.1352","0.187","","","","","","1.015","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029722","17.373","0.011","17.241","0.011","24.421","0.016","90","","91.219","0.009","90","","7313","8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H19 N O -","- C23 H19 N O -","- C368 H304 N16 O16 -","16","4","","Lu, Nianhong; Wang, Lihong; Li, Zhanshan; Zhang, Wei","A concise synthesis of 3-(1-alkenyl)isoindolin-1-ones and 5-(1-alkenyl)pyrrol-2-ones by the intermolecular coupling reactions of N-acyliminium ions with unactivated olefins.","Beilstein journal of organic chemistry","2012","8","","192","200","10.3762/bjoc.8.21","","","0.71073","MoKα","","0.1786","0.0696","","","0.1427","0.1999","","","","","","0.959","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029857","28.51","0.06","12.34","0.02","17.98","0.04","90","","121.13","0.02","90","","5415","19","270","2","270","2","","","","","","","","3","C 1 c 1","C -2yc","9","C16MolGyro","","","- C54 H100 Si2 -","- C54 H100 Si2 -","- C216 H400 Si8 -","4","1","","Setaka, Wataru; Inoue, Kazuyuki; Higa, Sayaka; Yoshigai, Seiki; Kono, Hirohiko; Yamaguchi, Kentaro","Synthesis of Crystalline Molecular Gyrotops and Phenylene Rotation inside the Cage.","The Journal of organic chemistry","2014","79","17","8288","8295","10.1021/jo501539h","","","0.71073","MoKα","","0.3938","0.1216","","","0.3025","0.4879","","","","","","0.928","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029914","18.9743","0.0011","5.115","0.0003","10.7934","0.0006","90","","99.83","0.006","90","","1032.16","0.1","99.95","0.13","99.95","0.13","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0464","0.0458","","","0.1199","0.1207","","","","","","1.002","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029930","11.0213","0.0003","17.4606","0.0004","8.8968","0.0004","90","","99.669","0.001","90","","1687.77","0.1","100","2","100","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N2 O7 -","- C17 H22 N2 O7 -","- C68 H88 N8 O28 -","4","1","","Lago-Santomé, Hugo; Martínez-Bescos, Patricia; Fernández-González, Marta; Ozores-Viturro, Lidia; Cagide-Fagín, Fernando; Alonso, Ricardo","β-Aryl-α-nitro-α,β-enals as Heterodienes and Dienophiles.","The Journal of organic chemistry","2014","79","18","8645","8651","10.1021/jo501418u","","x-ray","0.71073","MoKα","","0.0384","0.0338","","","0.0824","0.0851","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030130","7.986","0.005","19.283","0.013","10.936","0.009","90","","96.99","0.03","90","","1672","2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Zhang, Yan-Jing; Hou, Qi-Lan; Wang, Hai-Jing; Liao, Wei-Wei","Lewis base-promoted rearrangement of allylic cyanohydrins: construction of functionalized nitriles bearing 1,3-diketone moieties.","The Journal of organic chemistry","2014","79","22","10890","10898","10.1021/jo501909w","","","0.71073","MoKα","","0.0362","0.0333","","","0.0803","0.0816","","","","","","1.033","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030159","23.22","0.007","6.4634","0.0018","14.462","0.004","90","","94.873","0.009","90","","2162.6","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0715","0.0634","","","0.1398","0.1429","","","","","","1.722","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030224","5.2895","0.0003","25.359","0.002","15.0712","0.0011","90","","98.909","0.005","90","","1997.2","0.2","200","","200","","","","","","","","local","3","C 1 c 1","C -2yc","9","","","","- C22 H24 O8 -","- C22 H24 O8 -","- C88 H96 O32 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0657","0.0465","","0.1134","0.1014","0.1134","","","","","","0.9787","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030402","14.465","0.002","11.3032","0.0018","15.418","0.003","90","","111.881","0.003","90","","2339.3","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C96 H128 N8 O24 -","4","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.0903","0.0534","","","0.1002","0.1135","","","","","","0.991","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030616","13.81","0.008","10.983","0.001","6.395","0.001","90","","117.48","0.03","90","","860.5","0.6","","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- N3 Na3 W -","- N3 Na3 W -","- N24 Na24 W8 -","8","2","","Jacobs, H.; Niewa, R.","Synthesis and crystal structure of a sodium nitrido tungstate (VI), Na3WN3","European Journal of Solid State and Inorganic Chemistry","1994","31","","105","113","","","x-ray","0.56","aGKα","","","0.051","","","0.062","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030653","10.4755","0.0004","14.1633","0.0006","10.9706","0.0004","90","","100.198","0.002","90","","1601.97","0.11","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0475","0.0363","","","0.0826","0.0886","","","","","","1.019","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030818","9.402","0.003","15.737","0.003","10.672","0.003","90","","99.933","0.011","90","","1555.4","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(1R*,7aS*)-1-benzhydryl-tetrahydropyrrolo[1,2-c]oxazol-3(1H)-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Kise, Naoki; Sakurai, Toshihiko","Intermolecular Reductive Coupling of Esters with Benzophenones by Low-valent Titanium: Synthesis of Diarylmethyl ketones Revisited.","The Journal of organic chemistry","2015","","","150317073852008","","10.1021/acs.joc.5b00102","","","0.71075","MoKα","","0.0705","0.0617","","","0.1601","0.1763","","","","","","1.076","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4031129","8.5697","0.0017","14.922","0.003","9.629","0.003","90","","96.435","0.003","90","","1223.6","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H19 B N4 O5 -","- C9 H19 B N4 O5 -","- C36 H76 B4 N16 O20 -","4","1","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0438","0.0428","","","0.1409","0.1426","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031131","9.1143","0.0008","11.9915","0.0011","15.5531","0.0014","90","","97.131","0.002","90","","1686.7","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H25 B N4 O5 -","- C15 H25 B N4 O5 -","- C60 H100 B4 N16 O20 -","4","1","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0428","0.0388","","","0.0935","0.0962","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031328","8.2724","0.0008","30.084","0.003","8.9736","0.0009","90","","103.993","0.003","90","","2167","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H28 N2 O2 -","- C27 H28 N2 O2 -","- C108 H112 N8 O8 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","0.71073","MoKα","","0.0366","0.0349","","","0.0902","0.0918","","","","","","1.038","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031341","17.2205","0.0017","14.5659","0.0013","12.0921","0.0011","90","","116.552","0.002","90","","2713.2","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","1","","Wang, Jian-Jun; Feng, Xian; Xun, Zhan; Shi, Da-Qing; Huang, Zhi-Bin","Multicomponent Strategy to Pyrazolo[3,4-e]indolizine Derivatives under Microwave Irradiation.","The Journal of organic chemistry","2015","80","16","8435","8442","10.1021/acs.joc.5b01314","","","0.71073","MoKα","","0.1534","0.0768","","","0.1879","0.218","","","","","","1.12","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031352","3.8221","0.0002","16.9654","0.0009","9.0963","0.0004","90","","95.104","0.004","90","","587.5","0.05","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C2 H6 N6 O2 -","- C2 H6 N6 O2 -","- C8 H24 N24 O8 -","4","1","","A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; V.A. Revenko; R.S. Stepanov","Nitroimines: II. Structure of Nitroamino-1,2,4-triazoles","Russian Journal of Organic Chemistry","2005","41","6","910","915","10.1007/s11178-005-0265-0","","","1.54056","","","0.0256","0.0253","","","0.0657","0.0659","","","","","","1.037","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"4031404","16.25","","9.413","","16.036","","90","","116.77","","90","","2189.99","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(C S2 (Co (C O)2)6)","","- C13 Co6 O12 S2 -","- C13 Co6 O12 S2 -","- C52 Co24 O48 S8 -","4","1","","Bor, G.; Sbrignadello, G.; Stanghellini, P.L.; Dietler, U.K.; Rossetti, R.; Gervasio, G.; Battiston, G.A.","Structural and infrared spectroscopic characterization of Co6 C (C O)12 S2. A high-nuclearity carbido carbonyl cluster spontaneously formed from dicobalt octacarbonyl and carbon disulphide","Journal of Organometallic Chemistry","1981","213","","277","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","154168","2020-10-21","18:00:00",""
"4031637","26.238","","6.623","","12.969","","90","","106.2","","90","","2164.19","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Cl3 Ge Co (C O)4","","- C4 Cl3 Co Ge O4 -","- C4 Cl3 Co Ge O4 -","- C32 Cl24 Co8 Ge8 O32 -","8","2","","van der Berg, G.C.; Oskam, A.; Olie, K.","The crystal and molecular structure of trichlorogermyl-cobalt tetracarbonyl, Cl3 Ge Co (C O)4","Journal of Organometallic Chemistry","1974","80","","363","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031885","13.2299","0.0002","13.607","0.0002","14.5131","0.0003","90","","91.0006","0.0011","90","","2612.24","0.08","200","","200","","","","","","","","local","5","C 1 c 1","C -2yc","9","","","","- C25 H28 Cl3 N3 O6 -","- C25 H28 Cl3 N3 O6 -","- C100 H112 Cl12 N12 O24 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.048","0.0422","","0.1106","0.1074","0.1106","","","","","","1.0363","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031939","22.1401","0.0007","10.4147","0.0004","14.3555","0.0007","90","","100.699","0.003","90","","3252.6","0.2","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17.5 H19 N4 O0.5 -","- C17.5 H19 N4 O0.5 -","- C140 H152 N32 O4 -","8","2","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0403","0.0382","","","0.095","0.097","","","","","","1.035","","","","has coordinates,has disorder","181342","2020-10-21","18:00:00",""
"4032126","4.8642","0.0008","21.195","0.003","19.918","0.004","90","","94.449","0.008","90","","2047.3","0.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H17 Cl3 N2 O -","- C24 H17 Cl3 N2 O -","- C96 H68 Cl12 N8 O4 -","4","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.1406","0.0666","","","0.123","0.1463","","","","","","1.073","","","","has coordinates","193576","2020-10-21","18:00:00",""
"4032190","9.794","0.002","16.232","0.002","17.356","0.003","90","","105.695","0.011","90","","2656.3","0.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 N O6 S -","- C31 H31 N O6 S -","- C124 H124 N4 O24 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Cycloalkylation of C(sp(3))-H Bond with Neighboring Carboxylic Acid as Traceless Activating Group.","The Journal of organic chemistry","2017","82","5","2689","2702","10.1021/acs.joc.6b03091","","","0.71073","MoKα","","0.0257","0.0251","","","0.0681","0.0686","","","","","","1.034","","","","has coordinates","193552","2020-10-21","18:00:00",""
"4032349","17.9825","0.0012","7.8621","0.0005","31.386","0.002","90","","99.609","0.002","90","","4375.1","0.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C232 H192 O24 -","8","2","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0581","0.0457","","","0.0964","0.1038","","","","","","0.999","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032442","25.349","0.002","8.7736","0.0007","15.5435","0.0019","90","","106.651","0.004","90","","3311.9","0.6","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","2","","Hauduc, Clémence; Bélanger, Guillaume","General Approach toward Aspidospermatan-Type Alkaloids Using One-Pot Vilsmeier‒Haack Cyclization and Azomethine Ylide Cycloaddition","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00345","","x-ray","1.54178","CuKα","","0.1692","0.1038","","","0.2502","0.3105","","","","","","1.006","","","","has coordinates","195519","2020-10-21","18:00:00",""
"4032443","15.1665","0.0015","20.999","0.002","6.8761","0.0007","90","","93.678","0.002","90","","2185.4","0.4","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","AM-161206","","","- C23 H20 Br N O3 S2 -","- C23 H20 Br N O3 S2 -","- C92 H80 Br4 N4 O12 S8 -","4","1","","Soeta, Takahiro; Matsumoto, Akihiro; Sakata, Yoko; Ukaji, Yutaka","Development of a One-Pot Synthetic Method for Multifunctional Oxazole Derivatives Using Isocyanide Dichloride.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00296","","","1.54178","CuKα","","0.0607","0.0606","","","0.149","0.1491","","","","","","1.17","","","","has coordinates","195594","2020-10-21","18:00:00",""
"4032980","53.283","0.019","10.846","0.004","9.606","0.004","90","","91.686","0.005","90","","5549","4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H22 F5 N S -","- C34 H22 F5 N S -","- C272 H176 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1922","0.0816","","","0.1684","0.2232","","","","","","1.016","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032981","51.849","0.009","10.9446","0.0018","9.8186","0.0015","90","","91.817","0.012","90","","5568.9","1.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H26 F5 N S -","- C34 H26 F5 N S -","- C272 H208 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1762","0.1","","","0.263","0.3137","","","","","","1.041","","","","has coordinates,has disorder","202720","2020-10-21","18:00:00",""
"4033171","18.721","0.012","18.189","0.008","30.942","0.016","90","","99.292","0.012","90","","10398","10","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C432 H480 N32 O144 -","16","4","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.202","0.1548","","","0.3752","0.4401","","","","","","1.176","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033208","10.132","0.002","20.982","0.005","7.485","0.002","90","","91.647","0.007","90","","1590.6","0.7","128","2","128","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl2 N3 O5 -","- C15 H13 Cl2 N3 O5 -","- C60 H52 Cl8 N12 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0254","0.0248","","","0.0678","0.0683","","","","","","1.046","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033297","17.832","0.002","11.4226","0.0013","22.574","0.003","90","","100.618","0.004","90","","4519.3","0.9","297","2","297.21","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C47 H43 N2 O14 -","- C47 H43 N2 O14 -","- C188 H172 N8 O56 -","4","1","","Thangamani, Murugesan; Kannupal, Srinivasan","Lewis Acid-Mediated Ring-Opening Reactions of trans-2-Aroyl-3-styryl-cyclopropane-1,1-dicarboxylates: Access to Cyclopentenes and E,E-1,3-Dienes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02335","","","0.71073","MoKα","","0.1508","0.0888","","","0.2426","0.2842","","","","","","1.018","","","","has coordinates,has disorder","204573","2020-10-21","18:00:00",""
"4033306","11.4255","0.0009","11.8733","0.0007","9.826","0.0007","90","","107.618","0.006","90","","1270.46","0.16","296","2","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","4-t-butyl-PBTz","4-Hexyl-4H-pyrrolo[2,3-d:5,4-d']bisthiazole","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","1","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0616","0.0531","","","0.1368","0.1422","","","","","","1.121","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033333","12.6869","0.0003","37.5546","0.0012","11.2665","0.0003","90","","104.367","0.002","90","","5200.1","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C58 H50 Cl6 N2 O6 -","- C58 H50 Cl6 N2 O6 -","- C232 H200 Cl24 N8 O24 -","4","1","","Takahashi, Masaki; Asaba, Kyohei; Lua, Trinh Thi; Inuzuka, Toshiyasu; Uemura, Naohiro; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Controllable Monobromination of Perylene Ring System: Synthesis of Bay-Functionalized Perylene Dyes.","The Journal of organic chemistry","2018","83","2","624","631","10.1021/acs.joc.7b02540","","","1.54178","CuKα","","0.0981","0.0947","","","0.2709","0.2773","","","","","","1.323","","","","has coordinates,has disorder","227556","2020-10-21","18:00:00",""
"4033425","42.452","0.003","8.5066","0.0005","9.6005","0.0007","90","","98.667","0.002","90","","3427.4","0.4","150","","150","","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C20 H18 N2 S2 -","- C20 H18 N2 S2 -","- C160 H144 N16 S16 -","8","2","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0562","0.0471","","","0.1106","0.1167","","","","","","0.968","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033464","4.6806","0.0002","33.3839","0.0011","11.9303","0.0004","90","","101.048","0.002","90","","1829.64","0.12","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O7 -","- C22 H20 O7 -","- C88 H80 O28 -","4","1","","Saavedra, Diana I.; Rencher, Benjamin D.; Kwon, Doo-Hyun; Smith, Stacey J.; Ess, Daniel H.; Andrus, Merritt B.","Synthesis and Computational Studies Demonstrate the Utility of an Intramolecular Styryl Diels-Alder Reaction and Di-t-butylhydroxytoluene Assisted [1,3]-Shift to Construct Anticancer dl-Deoxypodophyllotoxin.","The Journal of organic chemistry","2018","83","4","2018","2026","10.1021/acs.joc.7b02957","","","1.54178","CuKα","","0.0263","0.0261","","","0.0832","0.0836","","","","","","0.83","","","","has coordinates,has disorder","227542","2020-10-21","18:00:00",""
"4033511","11.45","0.02","17.62","0.03","37.95","0.07","90","","98.9","0.07","90","","7564","2","122","2","122","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H29 B Fe N10 -","- C49 H29 B Fe N10 -","- C392 H232 B8 Fe8 N80 -","8","2","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.1386","0.1024","","","0.2165","0.2348","","","","","","1.095","","","","has coordinates","227548","2020-10-21","18:00:00",""
"4033813","15.031","0.0005","8.2009","0.0002","13.1609","0.0004","90","","120.422","0.004","90","","1398.95","0.09","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","9-phosphatriptycene","10H-5,10-[1,2]benzenoacridophosphine","","- C19 H13 P -","- C19 H13 P -","- C76 H52 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","0.71073","MoKα","","0.0335","0.0283","","","0.0731","0.0768","","","","","","1.015","","","","has coordinates,has disorder","222388","2020-10-21","18:00:00",""
"4033814","14.8144","0.001","8.1417","0.0003","13.0081","0.0009","90","","120.325","0.01","90","","1354.3","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","9-phosphatriptycene","10H-5,10-[1,2]benzenoacridophosphine","","- C19 H13 P -","- C19 H13 P -","- C76 H52 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","0.71073","MoKα","","0.0371","0.034","","","0.0806","0.0831","","","","","","1.062","","","","has coordinates,has disorder","222389","2020-10-21","18:00:00",""
"4033874","12.3004","0.0005","26.5371","0.0011","7.3874","0.0003","90","","107.915","0.001","90","","2294.45","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H16 F3 O4 -","- C31 H16 F3 O4 -","- C124 H64 F12 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.0635","0.0497","","","0.1086","0.1146","","","","","","1.044","","","","has coordinates","222447","2020-10-21","18:00:00",""
"4034153","20.4379","0.0013","4.9001","0.0004","29.209","0.002","90","","103.516","0.005","90","","2844.2","0.4","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37.12 H25.24 B F2 N2 O2.71 -","- C37.13 H25.26 B F2 N2 O2.71 -","- C148.52 H101.04 B4 F8 N8 O10.84 -","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","","","0.78228","Synchrotron","","0.1412","0.0789","","","0.1943","0.2676","","","","","","1.09","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034312","23.661","0.0005","23.7462","0.0005","25.8874","0.0006","90","","109.922","0.002","90","","13674.6","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C576 H640 N64 O64 -","32","8","","Mi, Xia; Feng, Weisheng; Pi, Chao; Cui, Xiuling","Iridium(III)-Catalyzed C-H Amidation of Nitrones with Dioxazolones.","The Journal of organic chemistry","2019","84","9","5305","5312","10.1021/acs.joc.9b00300","","x-ray","1.54184","CuKα","","0.0844","0.0533","","","0.1411","0.1719","","","","","","1.026","","","","has coordinates","222856","2020-10-21","18:00:00",""
"4034644","17.28","0.004","7.0153","0.0011","7.3724","0.001","90","","102.57","0.02","90","","872.3","0.3","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Wang, Xiaoping; Huang, Danfeng; Wang, Ke-Hu; Su, Yingpeng; Hu, Yulai","Tin Powder-Promoted Cascade Condensation/Allylation/Lactamization: Synthesis of Isoindolinones and Pyrazoloisoindol-8-ones.","The Journal of organic chemistry","2019","84","11","6946","6961","10.1021/acs.joc.9b00733","","","0.71073","MoKα","","0.0476","0.0442","","","0.1112","0.1152","","","","","","1.103","","","","has coordinates","223121","2020-10-21","18:00:00",""
"4035085","9.821","0.003","27.136","0.007","9.389","0.002","90","","117.809","0.003","90","","2213.2","1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H37 B N2 S4 -","- C17 H37 B N2 S4 -","- C68 H148 B4 N8 S16 -","4","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","0.71073","MoKα","","0.0538","0.0426","","","0.0864","0.0922","","","","","","1.037","","","","has coordinates","226572","2020-10-21","18:00:00",""
"4035086","15.7615","0.0015","19.7057","0.0019","16.691","0.002","90","","116.115","0.004","90","","4654.9","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.5 H23 Cl F N3 -","- C28.5 H23 Cl F N3 -","- C228 H184 Cl8 F8 N24 -","8","2","","Kibriya, Golam; Bagdi, Avik Kumar; Hajra, Alakananda","Visible-Light-Promoted C(sp<sup>3</sup>)-C(sp<sup>2</sup>) Cross-Dehydrogenative Coupling of Tertiary Amine with Imidazopyridine.","The Journal of organic chemistry","2018","83","17","10619","10626","10.1021/acs.joc.8b01433","","","0.71073","MoKα","","0.1407","0.0873","","","0.2016","0.2616","","","","","","1.109","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4035096","6.2666","0.0007","32.998","0.004","8.043","0.0009","90","","90.847","0.002","90","","1663","0.3","100","2","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H17 N O2 Si -","- C19 H17 N O2 Si -","- C76 H68 N4 O8 Si4 -","4","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.046","0.0394","","","0.0871","0.09","","","","","","1.019","","","","has coordinates","226583","2020-10-21","18:00:00",""
"4035125","18.782","0.002","17.2873","0.0018","19.209","0.002","90","","90.113","0.002","90","","6237","1.1","100","2","99.98","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H106 N6 O11 -","- C58 H104 N6 O10.9999 -","- C232 H416 N24 O43.9996 -","4","1","","Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures.","The Journal of organic chemistry","2018","83","17","10398","10408","10.1021/acs.joc.8b01481","","","0.71073","MoKα","","0.1363","0.072","","","0.1718","0.2018","","","","","","1.015","","","","has coordinates,has disorder","226611","2020-10-21","18:00:00",""
"4035208","8.0486","0.0005","32.6885","0.0018","10.843","0.0006","90","","96.084","0.001","90","","2836.7","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","G03045783.1-1 EtOH/H2O 68863-100","gene382","","- C30 H30 Cl F O5 S -","- C30 H30 Cl F O5 S -","- C120 H120 Cl4 F4 O20 S4 -","4","1","","Savage, Scott; McClory, Andrew; Zhang, Haiming; Cravillion, Theresa; Lim, Ngiap-Kie; Masui, Colin; Robinson, Sarah J.; Han, Chong; Ochs, Christoph; Rege, Pankaj D.; Gosselin, Francis","Synthesis of Selective Estrogen Receptor Degrader GDC-0810 via Stereocontrolled Assembly of a Tetrasubstituted All-Carbon Olefin.","The Journal of organic chemistry","2018","83","19","11571","11576","10.1021/acs.joc.8b01551","","","0.71073","MoKα","","0.0401","0.0347","","","0.0753","0.0788","","","","","","1.074","","","","has coordinates","226686","2020-10-21","18:00:00",""
"4035413","17.893","0.0005","9.79","0.0003","9.2333","0.0003","90","","101.193","0.003","90","","1586.65","0.09","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Peng, Hui; Luo, Wenkun; Jiang, Huanfeng; Yin, Biaolin","Tandem Achmatowicz Rearrangement and Acetalization of 1-[5-(Hydroxyalkyl)-furan-2-yl]-cyclobutanols Leading to Dispiroacetals and Subsequent Ring-Expansion to Form 6,7-Dihydrobenzofuran-4(5 H)-ones.","The Journal of organic chemistry","2018","83","20","12869","12879","10.1021/acs.joc.8b01765","","x-ray","1.54184","CuKα","","0.0325","0.0324","","","0.0853","0.0854","","","","","","1.064","","","","has coordinates","226871","2020-10-21","18:00:00",""
"4035414","16.331","0.00011","11.444378","0.000086","18.61358","0.00015","90","","70.5062","0.00058","90","","3279.43","0.04","358","","358","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H25 I3 N10 O2 -","- C32 H25 I3 N8 O2 -","- C128 H100 I12 N32 O8 -","4","1","","Kumar, Rajesh; Vaish, Avichal; Runčevski, Tomče; Tsarevsky, Nicolay V.","Hypervalent Iodine Compounds with Tetrazole Ligands.","The Journal of organic chemistry","2018","83","20","12496","12506","10.1021/acs.joc.8b01715","powder diffraction","x-ray","0.45236","synchrotron","","1.795","","","","","","","","2.386","","","","","","","has coordinates","226872","2020-10-21","18:00:00",""
"4035454","15.368","0.004","14.888","0.004","7.803","0.002","90","","102.365","0.003","90","","1743.9","0.8","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H14 N2 O3 S -","- C20 H14 N2 O3 S -","- C80 H56 N8 O12 S4 -","4","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0341","0.0311","","","0.0817","0.0838","","","","","","1.079","","","","has coordinates","226909","2020-10-21","18:00:00",""
"4035608","15.605","0.0018","12.3062","0.0014","9.1044","0.001","90","","116.98","0.003","90","","1558.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Mal, Abhijit; Wani, Imtiyaz Ahmad; Goswami, Gaurav; Ghorai, Manas K.","Synthesis of Nonracemic 1,4-Benzoxazines via Ring Opening/Cyclization of Activated Aziridines with 2-Halophenols: Formal Synthesis of Levofloxacin.","The Journal of organic chemistry","2018","83","15","7907","7918","10.1021/acs.joc.8b00788","","","0.71073","MoKα","","0.0894","0.0513","","","0.1034","0.1165","","","","","","1.029","","","","has coordinates","227057","2020-10-21","18:00:00",""
"4035848","6.3634","0.0016","17.543","0.007","12.5068","0.0018","90","","104.343","0.019","90","","1352.7","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 Br N O2 -","- C14 H14 Br N O2 -","- C56 H56 Br4 N4 O8 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1353","0.0568","","","0.1046","0.1394","","","","","","0.887","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035866","8.095","0.013","13.644","0.014","7.107","0.008","90","","114.09","0.04","90","","716.6","1.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","","1.54184","CuKα","","0.0335","0.0314","","","0.0734","0.0743","","","","","","1.071","","","","has coordinates","227278","2020-10-21","18:00:00",""
"4036051","6.9007","0.0011","25.211","0.004","13.042","0.002","90","","101.886","0.004","90","","2220.3","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0419","0.0361","","","0.0975","0.1037","","","","","","0.761","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036110","15.2526","0.0003","19.8673","0.0005","21.8203","0.0005","90","","91.264","0.001","90","","6610.6","0.3","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.25 H26.5 Cl0.5 I2 N6 -","- C28.25 H26.5 Cl0.5 I2 N6 -","- C226 H212 Cl4 I16 N48 -","8","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0345","0.0325","","","0.0782","0.0799","","","","","","1.077","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036123","25.171","0.008","6.816","0.002","7.736","0.002","90","","90.001","0.002","90","","1327.2","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 Br N O2 -","- C15 H10 Br N O2 -","- C60 H40 Br4 N4 O8 -","4","1","","Huang, Hai; He, Guangke; Zhu, Guohao; Zhu, Xiaolin; Qiu, Shineng; Zhu, Hongjun","Palladium-catalyzed intramolecular cyclization of ynamides: synthesis of 4-halo-oxazolones.","The Journal of organic chemistry","2015","80","7","3480","3487","10.1021/acs.joc.5b00071","","","0.71073","MoKα","","0.0423","0.0377","","","0.0968","0.1","","","","","","1.05","","","","has coordinates","234271","2020-10-21","18:00:00",""
"4036468","16.029","0.0013","16.027","0.005","21.723","0.006","90","","90.705","0.011","90","","5580","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C256 H256 O32 S16 -","16","4","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.2234","0.1249","","","0.3155","0.4009","","","","","","1.002","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4037180","21.051","0.005","12.709","0.003","21.176","0.005","90","","95.281","0.004","90","","5641","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C288 H228 N36 O24 -","12","3","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Zhuang, Shi-Yi; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Double Cyclization: A One-pot, Metal-free Route to Synthesize Polyfunctional 4,9-Dihydropyrrolo[2,1-b]quinazolines.","The Journal of organic chemistry","2016","81","17","8104","8111","10.1021/acs.joc.6b01660","","","0.71073","MoKα","","0.0722","0.0512","","","0.1151","0.1265","","","","","","1.007","","","","has coordinates","235757","2020-10-21","18:00:00",""
"4037246","19.146","0.014","7.452","0.006","12.716","0.009","90","","104.661","0.015","90","","1755","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C68 H100 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1056","0.0564","","","0.0922","0.1075","","","","","","1.032","","","","has coordinates","235858","2020-10-21","18:00:00",""
"4037405","6.9864","0.0006","30.542","0.002","11.0261","0.0008","90","","106.329","0.008","90","","2257.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H19 Cl N4 O2 Si -","- C23 H19 Cl N4 O2 Si -","- C92 H76 Cl4 N16 O8 Si4 -","4","1","","Golubev, Pavel; Karpova, Ekaterina A.; Pankova, Alena S.; Sorokina, Mariia; Kuznetsov, Mikhail A.","Regioselective Synthesis of 7-(Trimethylsilylethynyl)pyrazolo[1,5-a]pyrimidines via Reaction of Pyrazolamines with Enynones.","The Journal of organic chemistry","2016","81","22","11268","11275","10.1021/acs.joc.6b02217","","","0.71073","MoKα","","0.0362","0.0339","","","0.1052","0.1095","","","","","","0.884","","","","has coordinates","236089","2020-10-21","18:00:00",""
"4037533","9.037","0.006","27.363","0.016","10.344","0.006","90","","100.635","0.013","90","","2514","3","293","2","293","2","","","","","","","see text","4","C 1 c 1","C -2yc","9","","","","- C26 H30 N6 O -","- C26 H30 N6 O -","- C104 H120 N24 O4 -","4","1","","Singh, Kartikey; Sharma, Gaurav; Shukla, Manjulika; Kant, Ruchir; Chopra, Sidharth; Shukla, Sanjeev K.; Tripathi, Rama P.","Metal- and Phenol-Free Synthesis of Biaryl Ethers: Access to Dibenzobistriazolo-1,4,7-oxadiazonines and Vancomycin-Like Glyco-Macrocycles as Antibacterial Agents.","The Journal of organic chemistry","2018","83","24","14882","14893","10.1021/acs.joc.8b01631","","","0.71075","MoKα","","0.1053","0.055","","","0.1253","0.1415","","","","","","0.904","","","","has coordinates","236289","2020-10-21","18:00:00",""
"4037587","9.9","0.003","34.441","0.01","9.602","0.003","90","","116.727","0.01","90","","2924.2","1.6","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","VCl244","","","- C33 H35 N O6 -","- C33 H35 N O6 -","- C132 H140 N4 O24 -","4","1","","Capaccio, Vito; Zielke, Katharina; Eitzinger, Andreas; Massa, Antonio; Palombi, Laura; Faust, Kirill; Waser, Mario","Asymmetric phase-transfer catalysed β-addition of isoxazolidin-5-ones to MBH carbonates.","Organic chemistry frontiers : an international journal of organic chemistry","2018","5","22","3336","3340","10.1039/C8QO01057A","","","0.71073","MoKα","","0.1712","0.0858","","","0.1442","0.1736","","","","","","1.115","","","","has coordinates","237280","2020-10-21","18:00:00",""
"4037605","4.3177","0.0002","16.1033","0.0009","15.9891","0.001","90","","94.126","0.005","90","","1108.83","0.11","296","","296","","","","","","","","see text","4","C 1 c 1","C -2yc","9","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C44 H44 N4 O24 -","4","1","","Kaur, Divneet; Luk, Hoi L.; Coldren, William; Srinivas, Pavan M.; Sridhar, Lakshetti; Prabhakar, Sripadi; Raghunathan, Partha; Guru Row, T. N.; Hadad, Christopher M.; Platz, Matthew S.; Eswaran, Sambasivan V.","Concomitant nitrene and carbene insertion accompanying ring expansion: spectroscopic, X-ray, and computational studies.","The Journal of organic chemistry","2014","79","3","1199","1205","10.1021/jo402621w","","x-ray","0.71073","MoKα","","0.065","0.05","","","0.1076","0.1231","","","","","","1.069","","","","has coordinates","243444","2020-10-21","18:00:00",""
"4037678","10.9523","0.0009","27.121","0.002","7.7458","0.0006","90","","121.221","0.007","90","","1967.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H18 Br N O3 -","- C23 H18 Br N O3 -","- C92 H72 Br4 N4 O12 -","4","1","","Wang, Yu-Chao; Liu, Jin-Biao; Zhou, Hongwei; Rojsitthisak, Pornchai; Qiu, Guanyinsheng; Xie, Wenlin","Ortho-Hydroxylative ipso-Cyclization of N-arylpropiolamide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02590","","","0.71073","MoKα","","0.0304","0.0274","","","0.0643","0.0658","","","","","","1.007","","","","has coordinates","245287","2020-10-21","18:00:00",""
"4037843","11.253","0.003","11.145","0.003","10.015","0.002","90","","96.67","0.005","90","","1247.5","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H9 Br N4 -","- C13 H9 Br N4 -","- C52 H36 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","","0.047","0.0376","","","0.0782","0.0798","","","","","","1.997","","","","has coordinates","247166","2020-10-21","18:00:00",""
"4037980","16.1468","0.0008","16.1269","0.0008","16.4389","0.0008","90","","100.437","0.002","90","","4209.8","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H32 Cl O P -","- C21 H32 Cl O P -","- C168 H256 Cl8 O8 P8 -","8","2","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.047","0.0422","","","0.1041","0.1066","","","","","","1.038","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4038086","13.152","0.002","16.857","0.003","12.706","0.002","90","","107.727","0.003","90","","2683.2","0.8","296","2","296.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C27 H42 O7 -","- C27 H42 O7 -","- C108 H168 O28 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1257","0.0773","","","0.1928","0.231","","","","","","1.026","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038219","18.1807","0.0006","27.4981","0.0007","9.6395","0.0002","90","","102.021","0.001","90","","4713.4","0.2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","ta02","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C192 H272 N16 O32 -","16","4","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0818","0.0572","","","0.1288","0.141","","","","","","1.019","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038263","16.7996","0.0005","11.7198","0.0002","19.3982","0.0007","90","","122.591","0.005","90","","3217.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H33 N2 O2 P -","- C39 H33 N2 O2 P -","- C156 H132 N8 O8 P4 -","4","1","","Pattarawarapan, Mookda; Wiriya, Nittaya; Yimklan, Saranphong; Wangngae, Sirilak; Phakhodee, Wong","Zwitterionic Ring-Opened Oxyphosphonium Species from the Ph<sub>3</sub>P-I<sub>2</sub> Mediated Reactions of Benzo[<i>d</i>]oxazol-2(3<i>H</i>)-ones with Secondary Amines.","The Journal of organic chemistry","2020","85","9","6151","6158","10.1021/acs.joc.0c00211","","x-ray","0.71073","MoKα","","0.0484","0.0425","","","0.1223","0.1291","","","","","","0.961","","","","has coordinates","251483","2020-10-21","18:00:00",""
"4038368","17.552","0.0002","8.75829","0.00009","16.02248","0.00019","90","","113.469","0.0014","90","","2259.3","0.05","99.99","0.17","99.99","0.17","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H16 F3 N2 O3 P S -","- C27 H16 F3 N2 O3 P S -","- C108 H64 F12 N8 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0402","0.04","","","0.1091","0.1092","","","","","","1.092","","","","has coordinates","252112","2020-10-21","18:00:00",""
"4038523","23.264","0.005","18.39","0.004","17.423","0.004","90","","127.66","0.03","90","","5901","3","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","ro24_sq","","","- C52 H56 N16 O8 -","- C52 H56 N16 O8 -","- C208 H224 N64 O32 -","4","1","","Mohite, Amar Ramchandra; Reany, Ofer","Inherently Chiral Bambus[4]urils.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01174","","","0.71073","MoKα","","0.1077","0.0854","","","0.231","0.2551","","","","","","1.053","","","","has coordinates,has disorder","253452","2020-10-21","18:00:00",""
"4038653","11.949","0.003","25.877","0.006","16.528","0.005","90","","98.21","0.02","90","","5058","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H48 Cl6 N2 O4 S2 -","- C53 H47 Cl3 N2 O4 S2 -","- C212 H188 Cl12 N8 O16 S8 -","4","1","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","1.54178","CuKα","","0.0972","0.0719","","","0.1746","0.203","","","","","","1.052","","","","has coordinates","255141","2020-10-21","18:00:00",""
"4038689","28.9068","0.0005","5.7531","0.0001","10.5484","0.0002","90","","98.531","0.002","90","","1734.83","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H19 N O S -","- C21 H19 N O S -","- C84 H76 N4 O4 S4 -","4","1","","Yue, Yuanyuan; Shao, Huibin; Wang, Zhixian; Wang, Ke; Wang, Le; Zhuo, Kelei; Liu, Jianming","Elemental Sulfur-Incorporated Cyclizations of Pyrrolidines Leading to Thienopyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01363","","","1.54184","CuKα","","0.0369","0.0363","","","0.1052","0.106","","","","","","1.079","","","","has coordinates","255273","2020-10-21","18:00:00",""
"4038691","3.8353","0.0001","23.3888","0.0006","16.9879","0.0012","90","","93.51","0.007","90","","1521.01","0.12","123","","123","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C84 H60 N12 O8 -","4","1","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.0341","0.0333","","","0.0936","0.0952","","","","","","0.843","","","","has coordinates","255298","2020-10-21","18:00:00",""
"4038731","11.6904","0.0002","14.6998","0.0004","11.3235","0.0002","90","","91.493","0.002","90","","1945.24","0.07","230","0.1","230","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H20 N O4 P S -","- C21 H20 N O4 P S -","- C84 H80 N4 O16 P4 S4 -","4","1","","Luo, Wenjun; Wang, Zhenguo; Cao, Xiaohui; Liang, Dacheng; Wei, Mingjie; Yin, Keshu; Li, Le","Construction of Benzo-1,2,3-thiazaphosphole Heterocycles by Annulations of ortho-Phosphinoarenesulfonyl Fluorides with Trimethylsilyl Azide","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01309","","x-ray","0.71073","MoKα","","0.0366","0.0324","","","0.0822","0.0865","","","","","","1.047","","","","has coordinates","255904","2020-10-21","18:00:00",""
"4038839","23.2393","0.0013","7.5636","0.0004","7.3759","0.0004","90","","100.902","0.003","90","","1273.08","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.0494","0.0391","","","0.1052","0.1167","","","","","","1.05","","","","has coordinates","256777","2020-10-21","18:00:00",""
"4060101","21.4107","0.0016","13.9823","0.0011","17.6141","0.0014","90","","108.202","0.002","90","","5009.3","0.7","223","2","223","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C35 H59 Ag2 F12 N O P2 Ru2 S6 -","- C35 H59 Ag2 F12 N O P2 Ru2 S6 -","- C140 H236 Ag8 F48 N4 O4 P8 Ru8 S24 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0491950","","","0.71073","MoKα","","0.0523","0.0395","","","0.079","0.0807","","","","","","1.002","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060148","18.765","0.002","12.116","0.002","19.797","0.006","90","","116.952","0.008","90","","4012.1","1.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H68 B Mg N3 O -","- C39 H68 B Mg N3 O -","- C156 H272 B4 Mg4 N12 O4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049263i","","","0.71073","MoKα","","0.0502","0.0415","","","0.1061","0.1129","","","","","","1.022","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060273","8.315","0.01","18.69","0.02","20.68","0.02","90","","96.9","0.05","90","","3190.5","6","173","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H47 Br3 Ni O P2 Zn -","- C25 H47 Br3 Ni O P2 Zn -","- C100 H188 Br12 Ni4 O4 P8 Zn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034380j","","","0.7107","MoKα","","","0.06","","","","0.124","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060274","8.574","0.009","19.26","0.04","19.15","0.02","90","","98.51","0.02","90","","3127.5","8","173","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H45 Br3 Ni O P2 Zn -","- C24 H45 Br3 Ni O P2 Zn -","- C96 H180 Br12 Ni4 O4 P8 Zn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034380j","","","0.7107","MoKα","","","0.096","","","","0.237","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060404","9.88","0.001","24.145","0.003","8.214","0.001","90","","108.288","0.002","90","","1860.6","0.4","143.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H29 N O Zr -","- C21 H29 N O Zr -","- C84 H116 N4 O4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049105r","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4060460","12.115","0.0004","9.2921","0.0003","9.9839","0.0002","90","","91.525","0.002","90","","1123.52","0.05","113.2","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H14 Zr -","- C14 H14 Zr -","- C56 H56 Zr4 -","4","1","","Suzuki, Noriyuki; Watanabe, Takaaki; Iwasaki, Masakazu; Chihara, Teiji","Reaction of 1-Zirconacyclopent-3-yne with ""Zirconocene"": Synthesis and Structure of Bimetallic 1,2,3-Butatriene Complexes","Organometallics","2005","24","9","2065","2069","10.1021/om049288h","","","","","","","","","","","","","","","","","","","","","has coordinates","210313","2020-10-21","18:00:00",""
"4060597","10.105","0.002","31.158","0.007","12.71","0.006","90","","108.06","0.02","90","","3805","2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H6 Fe3 O10 S -","- C14 H6 Fe3 O10 S -","- C112 H48 Fe24 O80 S8 -","8","2","","","","Organometallics","2006","","","","","10.1021/om050694q","","","","","","","","","","","","","","","","","","","","","has coordinates","178494","2020-10-21","18:00:00",""
"4061012","7.2777","0.0007","21.082","0.002","15.3044","0.0015","90","","98.876","0.002","90","","2320","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H34 B10 Ru -","- C22 H34 B10 Ru -","- C88 H136 B40 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061083","15.87","0.001","16.458","0.002","13.2138","0.0009","90","","94.238","0.003","90","","3441.7","0.4","296.1","","","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C27 H46 Cl F3 O4 Ru2 S Se2 -","- C27 H44 Cl F3 O4 Ru2 S Se2 -","- C108 H176 Cl4 F12 O16 Ru8 S4 Se8 -","4","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061097","13.037","0.002","23.864","0.004","7.3899","0.0011","90","","105.856","0.002","90","","2211.7","0.6","396","2","396","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H29 Cl N6 O2 P2 Ru -","- C17 H29 Cl N6 O2 P2 Ru -","- C68 H116 Cl4 N24 O8 P8 Ru4 -","4","1","","Frost, B.J.","","Organometallics","2004","","","","","10.1021/om049501+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061145","13.088","0.008","22.654","0.017","14.672","0.008","90","","90.121","0.013","90","","4350","5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H30 N3 P -","- C24 H30 N3 P -","- C192 H240 N24 P8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061151","10.685","0.006","22.698","0.012","18.23","0.009","90","","106.665","0.01","90","","4235","4","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H69 Cl2 N4 P Ti -","- C34 H69 Cl2 N4 P Ti -","- C136 H276 Cl8 N16 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061158","20.7006","0.0009","9.3584","0.0004","23.7365","0.0011","90","","96.702","0.001","90","","4566.9","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H70 O2 Si4 Zr -","- C44 H70 O2 Si4 Zr -","- C176 H280 O8 Si16 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0495675","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061257","5.428","0.002","22.986","0.01","21.607","0.009","90","","95.415","0.007","90","","2683.6","1.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H24 N4 Si -","- C32 H20 N4 Si -","- C128 H80 N16 Si4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0494216","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061580","12.196","0.002","13.59","0.003","19.382","0.004","90","","97.42","0.03","90","","3185.8","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H47 N O5 Si4 W -","- C22 H47 N O5 Si4 W -","- C88 H188 N4 O20 Si16 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503747","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061581","12.206","0.002","13.59","0.003","19.385","0.004","90","","97.7","0.03","90","","3186.5","1.1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H47 Ge N O5 Si3 W -","- C22 H47 Ge N O5 Si3 W -","- C88 H188 Ge4 N4 O20 Si12 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503747","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4061602","16.3109","0.0011","18.5458","0.0012","10.2668","0.0007","90","","100.011","0.001","90","","3058.4","0.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H47 B9 N O Si2 Y -","- C20 H47 B9 N O Si2 Y -","- C80 H188 B36 N4 O4 Si8 Y4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061603","16.275","0.004","18.463","0.004","10.243","0.002","90","","100.051","0.004","90","","3030.8","1.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H47 B9 Er N O Si2 -","- C20 H47 B9 Er N O Si2 -","- C80 H188 B36 Er4 N4 O4 Si8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050411u","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061774","20.955","0.0002","15.525","0.0002","21.825","0.0002","90","","101.271","0.001","90","","6963.31","0.13","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H37 Ir N2 O5 -","- C39 H37 Ir N2 O5 -","- C312 H296 Ir8 N16 O40 -","8","2","","","","Organometallics","2005","","","","","10.1021/om050638p","","","","","","","","","","","","","","","","","","","","","has coordinates","178514","2020-10-21","18:00:00",""
"4062015","7.7327","0.0008","13.3949","0.0014","13.5108","0.0014","90","","96.419","0.003","90","","1390.7","0.3","133","2","133","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C72 H48 O16 -","8","2","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062088","10.5879","0.0003","32.1072","0.0008","14.2001","0.0003","90","","92.745","0.001","90","","4821.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C116 H140 Li2 O8 Y2 -","- C115.68 H140.4 Li2 O8 Y2 -","- C231.36 H280.8 Li4 O16 Y4 -","2","0.5","","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",""
"4062131","17.337","0.005","9.7178","0.0019","15.636","0.005","90","","109.54","0.03","90","","2482.5","1.1","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H42 Cr N4 Si3 -","- C16 H42 Cr N4 Si3 -","- C64 H168 Cr4 N16 Si12 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178517","2020-10-21","18:00:00",""
"4062143","15.9779","0.0006","10.2789","0.0004","19.8084","0.0005","90","","92.996","0.001","90","","3248.79","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H48 Eu N2 Si2 -","- C34 H48 Eu N2 Si2 -","- C136 H192 Eu4 N8 Si8 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178517","2020-10-21","18:00:00",""
"4062355","9.232","0.005","14.168","0.004","15.866","0.004","90","","98.97","0.03","90","","2050","1","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H26 N2 O4 Sn -","- C20 H26 N2 O4 Sn -","- C80 H104 N8 O16 Sn4 -","4","1","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062365","12.225","0.0012","31.338","0.003","10.5834","0.001","90","","93.469","0.002","90","","4047.1","0.7","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H65 Cl N2 Ru -","- C42 H65 Cl N2 Ru -","- C168 H260 Cl4 N8 Ru4 -","4","1","","Hillier, Anna C.; Sommer, William J.; Yong, Ben S.; Petersen, Jeffrey L.; Cavallo, Luigi; Nolan, Steven P.","A Combined Experimental and Theoretical Study Examining the Binding of N-Heterocyclic Carbenes (NHC) to the Cp*RuCl (Cp* = η^5^-C~5~Me~5~) Moiety: Insight into Stereoelectronic Differences between Unsaturated and Saturated NHC Ligands","Organometallics","2003","22","21","4322","4326","10.1021/om034016k","","","","","","","","","","","","","","","","","","","","","has coordinates","192086","2020-10-21","18:00:00",""
"4062449","10.61","0.001","15.18","0.001","13.4861","0.0009","90","","94.782","0.005","90","","2164.6","0.3","150.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H31 N O2 Si W -","- C22 H31 N O2 Si W -","- C88 H124 N4 O8 Si4 W4 -","4","1","","Okazaki, Masaaki; Suzuki, Eiji; Miyajima, Norito; Tobita, Hiromi; Ogino, Hiroshi","Facile Isomerization of a Tungsten Silyl Complex to a Base-Stabilized Silylene Complex via 1,2-Migration of an Aryl Group","Organometallics","2003","22","23","4633","4635","10.1021/om034106p","","","","","","","","","","","","","","","","","","","","","has coordinates","192119","2020-10-21","18:00:00",""
"4062505","23.571","0.004","26.92","0.005","16.234","0.003","90","","129.141","0.002","90","","7989","3","153","2","153","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C73 H68 B2 Cl F8 O4 P4 Rh2 -","- C73 H68 B2 Cl F8 O4 P4 Rh2 -","- C292 H272 B8 Cl4 F32 O16 P16 Rh8 -","4","1","","Holliday, Bradley J.; Ulmann, Pirmin A.; Mirkin, Chad A.; Stern, Charlotte L.; Zakharov, Lev N.; Rheingold, Arnold L.","A Systematic Study of the Role of Ligand Structure in the Formation of Homobinuclear Rhodium Macrocycles Formed via the Weak-Link Approach","Organometallics","2004","","","","","10.1021/om030611a","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062506","23.0417","0.0012","29.121","0.002","16.1785","0.0008","90","","128.332","0.001","90","","8515.4","0.9","128","2","128","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C94 H126 B2 Cl4 F8 O9 P4 Rh2 -","- C74 H76 B2 Cl4 F8 O4 P4 Rh2 -","- C296 H304 B8 Cl16 F32 O16 P16 Rh8 -","4","1","","Holliday, Bradley J.; Ulmann, Pirmin A.; Mirkin, Chad A.; Stern, Charlotte L.; Zakharov, Lev N.; Rheingold, Arnold L.","A Systematic Study of the Role of Ligand Structure in the Formation of Homobinuclear Rhodium Macrocycles Formed via the Weak-Link Approach","Organometallics","2004","","","","","10.1021/om030611a","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062692","14.4104","0.0008","15.8579","0.0008","25.1106","0.0014","90","","93.268","0.001","90","","5728.9","0.5","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31.75 H29.5 Cl1.5 N2 Ni O2 -","- C31.75 H28 Cl1.5 N2 Ni O2 -","- C254 H224 Cl12 N16 Ni8 O16 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049471a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062726","19.3279","0.0012","17.2145","0.0011","15.988","0.0011","90","","98.85","0.003","90","","5256.2","0.6","133","2","133","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C57 H51 F3 N4 O3 P2 Pd S -","- C57 H51 F3 N4 O3 P2 Pd S -","- C228 H204 F12 N16 O12 P8 Pd4 S4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049580p","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062820","22.5114","0.0018","21.7827","0.0016","17.4364","0.0014","90","","104.396","0.004","90","","8281.6","1.1","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C59 H60 Cl6 Hg N12 O46 Pt2 -","- C59 H60 Cl6 Hg N12 O46 Pt2 -","- C236 H240 Cl24 Hg4 N48 O184 Pt8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049699y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062923","14.51","0.003","17.01","0.003","16.84","0.003","90","","92.542","0.004","90","","4152.2","1.2","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H60 Cs2 O4 Sb2 -","- C32 H60 Cs2 O4 Sb2 -","- C128 H240 Cs8 O16 Sb8 -","4","1","","Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich","Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium","Organometallics","2004","23","14","3417","3424","10.1021/om049767g","","","","","","","","","","","","","","","","","","","","","has coordinates","209874","2020-10-21","18:00:00",""
"4062956","15.347","0.001","12.078","0.001","11.071","0.001","90","","104.87","0.01","90","","1983.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H28 Cl2 Si Zr -","- C19 H28 Cl2 Si Zr -","- C76 H112 Cl8 Si4 Zr4 -","4","1","","Antinolo, A.; Fajardo, M.; Gómez-Ruiz, S.; López-Solera, Isabel; Otero, A.; Prashar, S.","Hydrosilylation in the Design and Functionalization of ansa-Metallocene Complexes","Organometallics","2004","","","","","10.1021/om049791u","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4063016","15.861","0.013","12.409","0.01","12.468","0.01","90","","102.927","0.014","90","","2392","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H36 N P Si -","- C23 H36 N P Si -","- C92 H144 N4 P4 Si4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063229","16.4804","0.0003","15.3201","0.0003","9.8855","0.0001","90","","98.69","","90","","2467.23","0.07","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cp*2Ir2H3(C4H3NMe)","","","- C25 H39 Ir2 N -","- C25 H36 Ir2 N -","- C100 H144 Ir8 N4 -","4","1","","David A. Vicic; William D. Jones","Activation of Sulfur- and Nitrogen-Containing Heterocycles by a Dinuclear Iridium Complex","Organometallics","1999","18","","134","138","10.1021/om9808007","","","0.71073","MoKα","","0.0501","0.041","","0.0985","0.0939","","","","0.974","1.007","1.007","","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063268","16.07","0.003","16.422","0.003","19.758","0.004","90","","112.77","0.03","90","","4808","1.9","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C57 H60 B N2 P Pd -","- C57 H60 B N2 P Pd -","- C228 H240 B4 N8 P4 Pd4 -","4","1","","Andreas A. Danopoulos; Nikolaos Tsoureas; Stuart A. Macgregor; Christopher Smith","Phosphine- and Pyridine-Functionalized N-Heterocyclic Carbene Methyl and Allyl Complexes of Palladium. Unexpected Regiospecificity of the Protonation Reaction of the Dimethyl Complexes","Organometallics","2007","26","","253","263","10.1021/om0608408","","","0.71073","MoKα","","0.0618","0.0417","","","0.0829","0.0897","","","","","","0.997","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063291","14.707","0.007","11.346","0.005","20.62","0.01","90","","90.57","0.02","90","","3440","2","213","","213","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H34 Fe2 O10 Ru2 -","- C34 H34 Fe2 O10 Ru2 -","- C136 H136 Fe8 O40 Ru8 -","4","1","","Gou Higashihara; Masako Terada; Akiko Inagaki; Munetaka Akita","C-C Coupling of a Permetalated Ethene, (μ4-C=C)Ru2(FeCp*)2(CO)10, with Alkynes, and Isolation of a Labile MeCN Adduct, (μ4-C\δb C)Ru2(FeCp*)2(CO)8(NCMe)2","Organometallics","2007","26","","439","444","10.1021/om0609160","","","0.7107","MoKα","","","0.0408","","","","0.1086","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063366","14.005","0.004","13.835","0.003","15.73","0.005","90","","107.523","0.009","90","","2906.4","1.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H30 B F4 P Pd S -","- C30 H30 B F4 P Pd S -","- C120 H120 B4 F16 P4 Pd4 S4 -","4","1","","Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola","Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation","Organometallics","2011","30","2","230","","10.1021/om1007264","","x-ray","0.71073","MoKα","","0.0532","0.0442","","","0.0951","0.0994","","","","","","1.076","","","","has coordinates,has disorder","209531","2020-10-21","18:00:00",""
"4063721","10.3509","0.0001","24.1537","0.0002","17.6886","0.0001","90","","105.935","0.001","90","","4252.44","0.06","85","2","85","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H38 F3 Ir O6 P2 S -","- C46 H38 F3 Ir O6 P2 S -","- C184 H152 F12 Ir4 O24 P8 S4 -","4","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James","Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions","Organometallics","2011","30","1","129","","10.1021/om100888z","","","0.71073","MoKα","","0.0155","0.0147","","","0.0367","0.0374","","","","","","0.676","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063761","12.2647","0.0005","22.7564","0.0009","9.8417","0.0004","90","","117.801","0.002","90","","2429.76","0.18","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H30 N3 O2 P V -","- C26 H30 N3 O2 P V -","- C104 H120 N12 O8 P4 V4 -","4","1","","Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.","Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium","Organometallics","2011","30","6","1382","","10.1021/om100915v","","","0.7107","MoKα","","0.0408","0.0319","","","0.0855","0.1037","","","","","","0.994","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063790","43.1899","0.0016","12.6185","0.0005","25.9395","0.001","90","","117.385","0.001","90","","12552.6","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","IIIA042","IIIA042","","- C131 H114 B2 F48 P2 Rh2 -","- C131 H114 B2 F48 P2 Rh2 -","- C524 H456 B8 F192 P8 Rh8 -","4","1","","O’Connor, Abby R.; Kaminsky, Werner; Heinekey, D. Michael; Goldberg, Karen I.","Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium Complexes","Organometallics","2011","30","8","2105","","10.1021/om1009473","","","0.71073","MoKα","","0.0526","0.0413","","","0.0949","0.1008","","","","","","1.02","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4064038","21.99","0.008","10.596","0.003","16.525","0.006","90","","117.883","0.0015","90","","3403","2","293.1","","293.1","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H34 Cl8 O Ru2 S Sb2 -","- C22 H34 Cl8 O Ru2 S Sb2 -","- C88 H136 Cl32 O4 Ru8 S4 Sb8 -","4","1","","Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi","Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2","Organometallics","2011","30","11","2939","","10.1021/om101095a","","","0.7107","MoKα","","","0.0348","","","","0.107","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064137","13.9642","0.0006","16.3495","0.0008","8.105","0.0003","90","","102.614","0.004","90","","1805.77","0.14","130","2","130","2","","","","","","","","6","C 1 c 1","C -2yc","9","(tBuPCO)PdCl","(4)","","- C17 H28 Cl O P Pd -","- C17 H28 Cl O P Pd -","- C68 H112 Cl4 O4 P4 Pd4 -","4","1","","Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand","Organometallics","2011","30","6","1627","","10.1021/om101150y","","","0.71073","MoKα","","0.0425","0.0357","","","0.0792","0.0818","","","","","","1.047","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064147","28.5187","0.0008","11.2036","0.0003","19.4833","0.0004","90","","101.351","0.001","90","","6103.4","0.3","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H35 F6 N3 O P Rh -","- C33 H35 F6 N3 O P Rh -","- C264 H280 F48 N24 O8 P8 Rh8 -","8","2","","Dzik, Wojciech I.; Fuente Arruga, Luis; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; de Bruin, Bas","Open-Shell Organometallic [MII(dbcot(bislutidylamine)]2+Complexes (M = Rh, Ir): Unexpected Base-Assisted Reduction of the Metal Instead of Amine Ligand Deprotonation","Organometallics","2011","30","7","1902","","10.1021/om101157r","","","0.71073","MoKα","","0.0368","0.0281","","","0.0569","0.06","","","","","","1.047","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064228","15.988","0.002","9.212","0.003","46.33","0.015","90","","93.41","0.04","90","","6811","3","200","2","200","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C29 H18 Co4 Fe O12 Si -","- C29 H18 Co4 Fe O12 Si -","- C232 H144 Co32 Fe8 O96 Si8 -","8","2","","Nievas, Ángel; González, Jorge J.; Hernández, Elisa; Delgado, Esther; Martín, Avelino; Casado, Carmen M.; Alonso, Beatriz","Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers","Organometallics","2011","30","7","1920","","10.1021/om1011903","","x-ray","0.71073","MoKα","","0.1424","0.0739","","","0.1642","0.2128","","","","","","1.016","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064263","17.0531","0.0006","19.1709","0.0007","18.1415","0.0007","90","","117.546","0.001","90","","5258.6","0.3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C50 H48 F6 O10 P2 Ru2 S2 -","- C50 H48 F6 O10 P2 Ru2 S2 -","- C200 H192 F24 O40 P8 Ru8 S8 -","4","1","","Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Joshi, Sachin A.; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Constructions of 2D-Metallamacrocycles Using Half-Sandwich RuII2Precursors: Synthesis, Molecular Structures, and Self-Selection for a Single Linkage Isomer","Organometallics","2011","30","7","1951","","10.1021/om2000019","","","0.71073","MoKα","","0.0852","0.0483","","","0.1306","0.164","","","","","","0.953","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064489","13.245","0.002","22.608","0.003","15.123","0.003","90","","102.71","0.02","90","","4417.5","1.3","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C51 H62 O3 -","- C51 H62 O3 -","- C204 H248 O12 -","4","1","","Espinas, Jeff; Pelletier, Jérémie; Jeanneau, Erwan; Darbost, Ulrich; Szeto, Kai C.; Lucas, Christine; Thivolle-Cazat, Jean; Duchamp, Christian; Henriques, Natali; Bouchu, Denis; Basset, Jean-Marie; Chermette, Henry; Bonnamour, Isabelle; Taoufik, Mostafa","Synthesis of Novel Tantalacalixarene Complexes: First Example of Intramolecular CH Activation of Monodepleted Aromatic Ring","Organometallics","2011","30","13","3512","","10.1021/om200140u","","","1.5418","CuKα","","0.0987","0.0807","","0.2046","0.1643","0.2046","","","","","","0.9765","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064553","26.092","0.005","12.313","0.003","28.282","0.006","90","","91.95","0.03","90","","9081","3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C58 H91 Bi8 Cl19 O2 -","- C58 H91 Bi8 Cl19 O2 -","- C232 H364 Bi32 Cl76 O8 -","4","1","","Monakhov, Kirill Yu.; Zessin, Thomas; Linti, Gerald","Molecular Assemblies Based on Cp*BiX2Units (X = Cl, Br, I): An Experimental and Computational Study","Organometallics","2011","30","10","2844","","10.1021/om200169d","","","0.71073","MoKα","","0.0738","0.0622","","","0.1459","0.1511","","","","","","0.984","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064598","23.519","0.003","23.567","0.003","21.497","0.003","90","","107.949","0.003","90","","11335","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","NiI2(CNArDipp2)2","","","- C62 H74 I2 N2 Ni -","- C62 H74 I2 N2 Ni -","- C496 H592 I16 N16 Ni8 -","8","2","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0865","0.0526","","","0.0796","0.0901","","","","","","1.048","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064726","9.9679","0.0002","18.6651","0.0003","9.5993","0.0002","90","","111.176","0.003","90","","1665.37","0.06","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H20 F N O Pt S -","- C17 H20 F N O Pt S -","- C68 H80 F4 N4 O4 Pt4 S4 -","4","1","","Crosby, Sarah H.; Clarkson, Guy J.; Rourke, Jonathan P.","Reactions of a Platinum(II) Agostic Complex: Decyclometalation, Dicyclometalation, and Solvent-Switchable Formation of a Rollover Complex","Organometallics","2011","30","13","3603","","10.1021/om200293e","","","0.71073","MoKα","","0.0144","0.0142","","","0.0344","0.0344","","","","","","1.073","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064729","22.994","0.003","10.4455","0.0017","29.512","0.006","90","","98.107","0.007","90","","7017","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H51 Cl N4 O Ru -","- C35 H51 Cl N4 O Ru -","- C280 H408 Cl8 N32 O8 Ru8 -","8","2","","Risse, Julie; Scopelliti, Rosario; Severin, Kay","Beyond Click-Chemistry: Transformation of Azides with Cyclopentadienyl Ruthenium Complexes","Organometallics","2011","30","12","3412","","10.1021/om200295c","","","0.71073","MoKα","","0.0504","0.0442","","","0.0732","0.0756","","","","","","1.112","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064852","14.215","0.0006","13.9201","0.0005","19.6337","0.0008","90","","90.442","0.001","90","","3884.9","0.3","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C41 H62 La N O3 -","- C41 H62 La N O3 -","- C164 H248 La4 N4 O12 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2011","30","15","3915","","10.1021/om200363z","","","0.71073","MoKα","","0.0276","0.0271","","","0.0663","0.0666","","","","","","1.058","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064865","17.571","0.0006","17.2638","0.0008","37.912","0.0025","90","","100.44","0.005","90","","11309.9","1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H42 Br N Ni -","- C30 H42 Br N Ni -","- C480 H672 Br16 N16 Ni16 -","16","4","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","1.54184","CuKα","","0.0812","0.0529","","","0.1278","0.1387","","","","","","0.945","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064918","22.133","0.002","11.277","0.001","36.196","0.003","90","","107.595","0.002","90","","8611.6","1.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H47 Al N3 P -","- C50 H47 Al N3 P -","- C400 H376 Al8 N24 P8 -","8","2","","Ma, Wen-An; Wang, Zhong-Xia","Zinc and Aluminum Complexes Supported by Quinoline-Based N,N,N-Chelate Ligands: Synthesis, Characterization, and Catalysis in the Ring-Opening Polymerization of ε-Caprolactone andrac-Lactide","Organometallics","2011","30","16","4364","","10.1021/om200423g","","","0.71073","MoKα","","0.1455","0.0476","","","0.0504","0.0627","","","","","","0.854","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064962","12.8854","0.0008","15.8932","0.001","10.9403","0.0007","90","","102.588","0.001","90","","2186.6","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","jonsk21","(dippe)Pt(COCH2CH2CH2S)","","- C18 H38 O P2 Pt S -","- C18 H38 O P2 Pt S -","- C72 H152 O4 P8 Pt4 S4 -","4","1","","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","","0.0422","0.032","","","0.0672","0.0715","","","","","","1.025","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4065389","9.8199","0.0008","14.6422","0.0012","31.073","0.003","90","","96.241","0.003","90","","4441.4","0.7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","18-1540 [Pd(eta3-CH2CMeCH2)(kappa1(N)-ON-Ph)Cl].1/2CH2Cl2 (18)","","","- C43 H46 Cl4 N4 O2 P2 Pd2 -","- C43 H46 Cl4 N4 O2 P2 Pd2 -","- C172 H184 Cl16 N16 O8 P8 Pd8 -","4","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0197","0.0196","","","0.0523","0.0524","","","","","","1.127","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065404","12.8057","0.0004","28.1392","0.0008","8.4877","0.0002","90","","120.85","","90","","2625.74","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H33 B10 N Zr -","- C23 H33 B10 N Zr -","- C92 H132 B40 N4 Zr4 -","4","1","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.03","0.0263","","","0.0666","0.0702","","","","","","1.014","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065450","31.487","0.014","10.73","0.005","33.438","0.015","90","","102.072","0.005","90","","11047","9","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C112 H145 F9 N8 O6 P4 Pd4 S2 -","- C112 H145 F9 N8 O6 P4 Pd4 S2 -","- C448 H580 F36 N32 O24 P16 Pd16 S8 -","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","","0.0902","0.0594","","","0.121","0.135","","","","","","0.974","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065558","8.5271","0.0009","18.755","0.002","15.7321","0.0017","90","","103.621","0.002","90","","2445.2","0.5","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","(dippe)Ni(CN)(1-naphthyl)","","","- C25 H39 N Ni P2 -","- C25 H39 N Ni P2 -","- C100 H156 N4 Ni4 P8 -","4","1","","Li, Ting; García, Juventino J.; Brennessel, William W.; Jones, William D.","C−CN Bond Activation of Aromatic Nitriles and Fluxionality of the η2-Arene Intermediates: Experimental and Theoretical Investigations","Organometallics","2010","29","11","2430","","10.1021/om100001m","","","0.71073","MoKα","","0.0803","0.0529","","","0.1013","0.1096","","","","","","1.02","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065618","23.741","0.0012","8.6351","0.0004","13.9713","0.0007","90","","92.813","0.001","90","","2860.7","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H19 F4 Ir -","- C14 H19 F4 Ir -","- C112 H152 F32 Ir8 -","8","2","","Yuan, Jian; Hughes, Russell P.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structural and Computational Studies of a Conformationally Locked (η1-Perfluoroalkylidene)(η2-alkene) Transition Metal Complex: Ir(Cp*)(CFCF3)(C2H4)","Organometallics","2010","29","8","1942","","10.1021/om1000343","","","0.71073","MoKα","","0.0168","0.0165","","","0.036","0.0362","","","","","","1.036","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065724","9.8549","0.0008","22.1703","0.0017","17.7192","0.0014","90","","105.54","0.001","90","","3729.9","0.5","186.5","0.2","186.5","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H55 N2 O Si2 Y -","- C33 H55 N2 O Si2 Y -","- C132 H220 N8 O4 Si8 Y4 -","4","1","","Li, Danfeng; Li, Shihui; Cui, Dongmei; Zhang, Xuequan","β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and Active Species for Highlycis-1,4-Selective Polymerization of Isoprene","Organometallics","2010","29","9","2186","","10.1021/om100100r","","","0.71073","MoKα","","0.0457","0.0356","","","0.0684","0.0714","","","","","","0.933","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065839","22.756","0.005","14.259","0.003","21.172","0.004","90","","120.91","0.03","90","","5894","3","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C61 H93 Ga Mg N6 -","- C61 H93 Ga Mg N6 -","- C244 H372 Ga4 Mg4 N24 -","4","1","","Bonello, Owen; Jones, Cameron; Stasch, Andreas; Woodul, William D.","Group 2 and 12 Metal Gallyl Complexes Containing Unsupported Ga−M Covalent Bonds (M = Mg, Ca, Sr, Ba, Zn, Cd)†","Organometallics","2010","29","21","4914","","10.1021/om1001606","","","0.71073","MoKα","","0.0316","0.0287","","","0.073","0.0745","","","","","","1.028","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065870","12.6745","0.0006","24.5151","0.0012","9.8781","0.0005","90","","119.46","0.002","90","","2672.4","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H34 B Cl N7 Pt -","- C25 H34 B Cl N7 Pt -","- C100 H136 B4 Cl4 N28 Pt4 -","4","1","","Engelman, Kristi L.; White, Peter S.; Templeton, Joseph L.","Synthesis of Isonitrile, Iminoacyl, and Aminocarbene Tp′Pt Complexes†","Organometallics","2010","29","21","4943","","10.1021/om100172e","","","1.54178","CuKα","","0.0182","0.018","","","0.0448","0.045","","","","","","1.028","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4066058","17.2031","0.0007","11.6106","0.0005","12.3438","0.0005","90","","98.397","0.002","90","","2439.1","0.18","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H34 Cl N2 Rh -","- C29 H34 Cl N2 Rh -","- C116 H136 Cl4 N8 Rh4 -","4","1","","Li, Jean; Stewart, Ian C.; Grubbs, Robert H.","Synthesis and Structure of Fused N-Heterocylic Carbenes and Their Rhodium Complexes.","Organometallics","2010","29","17","3765","3768","10.1021/om100262x","","","0.71073","MoKα","","0.0391","0.0323","","","0.0499","0.0504","","","","","","1.618","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4066095","22.104","0.004","10.225","0.0016","35.465","0.006","90","","92.746","0.009","90","","8006","2","100","2","100","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C49 H50 Cl2 Zr -","- C49 H50 Cl2 Zr -","- C392 H400 Cl16 Zr8 -","8","2","","Kirillov, Evgeny; Marquet, Nicolas; Razavi, Abbas; Belia, Vincenzo; Hampel, Frank; Roisnel, Thierry; Gladysz, John A.; Carpentier, Jean-François","NewC1-Symmetric Ph2C-Bridged Multisubstitutedansa-Zirconocenes for Highly Isospecific Propylene Polymerization: Synthetic Approach via Activated Fulvenes†","Organometallics","2010","29","21","5073","","10.1021/om100289y","","x-ray","0.71073","MoKα","","0.0545","0.049","","","0.0903","0.0926","","","","","","1.13","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066303","20.136","0.003","18.474","0.003","9.9822","0.0015","90","","112.825","0.004","90","","3422.5","0.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H28 B F15 N2 O2 -","- C33 H19 B F15 N2 O2 -","- C132 H76 B4 F60 N8 O8 -","4","1","","Birkmann, Birgit; Voss, Tanja; Geier, Stephen J.; Ullrich, Matthias; Kehr, Gerald; Erker, Gerhard; Stephan, Douglas W.","Frustrated Lewis Pairs and Ring-Opening of THF, Dioxane, and Thioxane†","Organometallics","2010","29","21","5310","","10.1021/om1003896","","","0.71073","MoKα","","0.1396","0.0628","","","0.1298","0.1596","","","","","","1.008","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066332","28.347","0.009","8.071","0.003","16.468","0.005","90","","122.164","0.006","90","","3189.5","1.8","233","2","233","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H34 Cl3 Cr N2 P2 -","- C32 H34 Cl3 Cr N2 P2 -","- C128 H136 Cl12 Cr4 N8 P8 -","4","1","","Kim, Sung-Kwan; Kim, Tae-Jin; Chung, Jae-Ho; Hahn, Tak-Kyu; Chae, Sung-Soek; Lee, Ho-Seong; Cheong, Minserk; Kang, Sang Ook","Bimetallic Ethylene Tetramerization Catalysts Derived from Chiral DPPDME Ligands: Syntheses, Structural Characterizations, and Catalytic Performance of [(DPPDME)CrCl3]2(DPPDME =S,S- andR,R-chiraphos andmeso-achiraphos)","Organometallics","2010","29","22","5805","","10.1021/om100400b","","","0.71073","MoKα","","0.0908","0.0467","","","0.0864","0.1033","","","","","","1.013","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066348","9.2708","0.0002","23.2398","0.0004","11.5998","0.0002","90","","96.688","0.001","90","","2482.19","0.08","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C27 H41 Rh -","- C27 H41 Rh -","- C108 H164 Rh4 -","4","1","","Esqueda, Ana Cristina; Conejero, Salvador; Maya, Celia; Carmona, Ernesto","Synthesis of Rhodium Complexes with Bulky Substituted Cyclopentadienyl Ligands. H/D Exchange Reactions and Silane Activation†","Organometallics","2010","29","21","5481","","10.1021/om100412q","","","0.71073","MoKα","","0.0173","0.0169","","","0.0404","0.0406","","","","","","1.041","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066457","27.612","0.0007","6.6102","0.0002","12.0125","0.0003","90","","103.162","0.002","90","","2134.93","0.1","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H26 Cl2 Hf -","- C22 H26 Cl2 Hf -","- C88 H104 Cl8 Hf4 -","4","1","","Greger, Ingo; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Dynamic Topochemical Reaction Control−A Principle and Its Application inansa-Metallocene Synthesis†","Organometallics","2010","29","14","3210","","10.1021/om100467y","","","0.71073","MoKα","","0.0347","0.0335","","","0.0821","0.0832","","","","","","1.046","","","","has coordinates,has disorder","178556","2020-10-21","18:00:00",""
"4066463","10.471","0.004","16.207","0.007","17.48","0.01","90","","102.567","0.015","90","","2895","2","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H48 B8 N P2 Rh -","- C18 H48 B8 N P2 Rh -","- C72 H192 B32 N4 P8 Rh4 -","4","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Two Metal−Monocarbollide Relatives of the {B20H18} Double-Cluster Boranes†","Organometallics","2010","29","21","4790","","10.1021/om100471n","","","0.71073","MoKα","","0.0604","0.0473","","","0.0867","0.0937","","","","","","1.041","","","","has coordinates,has disorder","178556","2020-10-21","18:00:00",""
"4066673","8.4019","0.0009","15.8995","0.0018","19.762","0.002","90","","90.06","0.002","90","","2639.9","0.5","100","0.1","100","0.1","","","","","","","","8","C 1 c 1","C -2yc","9","unimc04","","","- C23 H24 Br F3 N2 O5 Ru2 S -","- C23 H24 Br F3 N2 O5 Ru2 S -","- C92 H96 Br4 F12 N8 O20 Ru8 S4 -","4","1","","Chin, Robert M.; Simonson, Andrew; Mauldin, Joshua; Criswell, Jared; Brennessel, William","Syntheses and Characterization of Ruthenium Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand and Acetonitrile Ligands","Organometallics","2010","29","17","3868","","10.1021/om100566w","","","0.71073","MoKα","","0.0501","0.0408","","","0.0761","0.0797","","","","","","1.014","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066711","25.249","0.006","15.334","0.003","17.601","0.004","90","","123.546","0.001","90","","5680","2","173","2","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H34 O2 Si2 W -","- C29 H34 O2 Si2 W -","- C232 H272 O16 Si16 W8 -","8","2","","Sakaba, Hiroyuki; Yabe-Yoshida, Mako; Oike, Hiroyuki; Kabuto, Chizuko","Conversion of an Acetylide−Silylene Complex to an Alkenylcarbyne Complex by Consecutive Ketone Addition and Base-Induced Silanone Elimination","Organometallics","2010","29","18","4115","","10.1021/om1005879","","","0.7107","MoKα","","0.0336","0.0316","","","0.0675","0.0686","","","","","","1.049","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066782","30.804","0.01","8.803","0.003","26.918","0.009","90","","112.138","0.004","90","","6761","4","150","","150","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C70 H52 F12 N8 O P2 Pt -","- C70 H52 F12 N8 O P2 Pt -","- C280 H208 F48 N32 O4 P8 Pt4 -","4","1","","Bass, Heather M.; Cramer, S. Alan; Price, Julia L.; Jenkins, David M.","18-Atom-Ringed Macrocyclic Tetra-imidazoliums for Preparation of Monomeric Tetra-carbene Complexes","Organometallics","2010","29","15","3235","","10.1021/om100625g","","","0.71073","MoKα","","0.041","0.0363","","","0.0997","0.1033","","","","","","1.084","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4067055","15.3248","0.0014","13.1132","0.0012","12.2913","0.0011","90","","117.318","0.002","90","","2194.6","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","jonll66","","","- C24 H30 Cl N O2 Rh -","- C24 H30 Cl N O2 Rh -","- C96 H120 Cl4 N4 O8 Rh4 -","4","1","","Li, Ling; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Reactivity and Regioselectivity of Insertion of Unsaturated Molecules into M−C (M = Ir, Rh) Bonds of Cyclometalated Complexes","Organometallics","2010","29","20","4593","","10.1021/om100796q","","","0.71073","MoKα","","0.0929","0.059","","","0.1168","0.1326","","","","","","0.995","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067129","8.6529","0.0004","20.7218","0.0008","13.1388","0.0006","90","","99.379","0.002","90","","2324.34","0.18","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H27 Fe I N O2 P -","- C25 H26.08 Fe I N O2 P -","- C100 H104.32 Fe4 I4 N4 O8 P4 -","4","1","","Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa","Phosphine-Tethered Carbene Ligands: Template Synthesis and Reactivity of Cyclic and Acyclic Functionalized Carbenes","Organometallics","2010","29","22","6065","","10.1021/om100841j","","","0.71073","MoKα","","0.0398","0.0321","","","0.0706","0.0731","","","","","","1.049","","","","has coordinates,has disorder","178562","2020-10-21","18:00:00",""
"4067196","19.998","0.004","52.874","0.011","8.7981","0.0019","90","","96.52","0.003","90","","9243","3","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H26 O4 P2 Ru2 S2 -","- C31 H26 O4 P2 Ru2 S2 -","- C372 H312 O48 P24 Ru24 S24 -","12","3","","Hogarth, Graeme; Kabir, Shariff E.; Richards, Idris","Diphosphine Mobility at a Binuclear Metal Center: A Concerted Double Trigonal-Twist in Bis(dithiolate) Complexes [M2(CO)4(μ-dppm){μ-S(CH2)nS}] (M = Fe, Ru;n= 2, 3)","Organometallics","2010","29","23","6559","","10.1021/om100894w","","","0.71073","MoKα","","0.0414","0.0384","","","0.0869","0.0884","","","","","","1.067","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067235","39.965","0.005","24.458","0.003","18.51","0.002","90","","94.111","0.003","90","","18046","4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H17 N3 O6 W -","- C23 H17 N3 O6 W -","- C736 H544 N96 O192 W32 -","32","8","","Chakraborty, Amarnath; Dey, Surjendu; Sawoo, Sudeshna; Adarsh, N. N.; Sarkar, Amitabha","Regioselective 1,3-Dipolar Cycloaddition Reaction of Azides with Alkoxy Alkynyl Fischer Carbene Complexes","Organometallics","2010","29","23","6619","","10.1021/om1009523","","","0.71073","MoKα","","0.0742","0.0469","","","0.1214","0.1495","","","","","","1.076","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067318","23.9715","0.0005","8.226","0.0001","30.7848","0.0007","90","","99.703","0.0008","90","","5983.6","0.2","150","1","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C29.5 H37 B Cl2 F4 N2 Pt -","- C29.5 H37 B Cl2 F4 N2 Pt -","- C236 H296 B8 Cl16 F32 N16 Pt8 -","8","2","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Palladium(II) and Platinum(II) Complexes Featuring a Nitrile-Functionalized N-Heterocyclic Carbene Ligand","Organometallics","2010","29","3","570","","10.1021/om9008372","","","0.71073","MoKα","","0.0617","0.0497","","","0.1083","0.1155","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067344","26.694","0.005","11.166","0.002","20.498","0.004","90","","121.3","0.03","90","","5221","2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H72 Li4 O2 Si2 -","- C54 H72 Li4 O2 Si2 -","- C216 H288 Li16 O8 Si8 -","4","1","","Liu, Lantao; Zhang, Wen-Xiong; Luo, Qian; Li, Heng; Xi, Zhenfeng","Isolation and X-ray Structure of a Trimeric 1,4-Dilithio-1,3-butadiene and a Dimeric Me3Si-Substituted 1,4-Dilithio-1,3-butadiene","Organometallics","2010","29","1","278","","10.1021/om900872u","","","0.71073","MoKα","","0.1046","0.0478","","","0.0892","0.0995","","","","","","1","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067376","21.799","0.003","26.768","0.003","14.9788","0.0017","90","","129.895","0.002","90","","6705.8","1.4","143","1","143","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C62 H78 N8 Ru2 -","- C62 H78 N8 Ru2 -","- C248 H312 N32 Ru8 -","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","","0.0656","0.0484","","","0.1131","0.1218","","","","","","0.933","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067627","18.5656","0.0003","15.6461","0.0003","14.586","0.0003","90","","126.103","0.003","90","","3423.27","0.17","153","2","153","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C29 H38 B F3 N9 O4 P S W -","- C29 H38 B F3 N9 O4 P S W -","- C116 H152 B4 F12 N36 O16 P4 S4 W4 -","4","1","","Salomon, Rebecca J.; Todd, Michael A.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Single and Double Electrophilic Addition Reactions to the Aniline Ring Promoted by a Tungsten π-Base","Organometallics","2010","29","4","707","","10.1021/om901048x","","","0.71073","MoKα","","0.0196","0.0188","","","0.0526","0.0538","","","","","","1.012","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067929","23.107","0.002","10.9792","0.0007","29.489","0.002","90","","96.16","0.006","90","","7438.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37.25 H41.5 Cl0.5 N3 O6 S3 -","- C37.25 H41.5 Cl0.5 N3 O6 S3 -","- C298 H332 Cl4 N24 O48 S24 -","8","2","","Brun, Sandra; Torrent, Anna; Pla-Quintana, Anna; Roglans, Anna; Fontrodona, Xavier; Benet-Buchholz, Jordi; Parella, Teodor","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study","Organometallics","2012","31","1","318","","10.1021/om200927f","","","0.71073","MoKα","","0.2059","0.0713","","","0.171","0.2476","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067939","7.3252","0.0016","16.291","0.004","15.763","0.004","90","","102.173","0.007","90","","1838.8","0.8","90","","90","","","","","","","","","4","C 1 c 1","C -2yc","9","NaB(C6H5)4","Sodium tetraphenylborate at 90 K","","- C24 H20 B Na -","- C24 H20 B Na -","- C96 H80 B4 Na4 -","4","1","","Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk","Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs)","Organometallics","2012","31","3","905","","10.1021/om200943n","","","0.71073","MoKα","","0.1005","0.0887","","","0.2336","0.2505","","","","","","1.002","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067986","6.1807","0.0002","13.8148","0.0005","10.7253","0.0004","90","","99.377","0.002","90","","903.54","0.06","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H12 F5 N2 P -","- C5 H12 F5 N2 P -","- C20 H48 F20 N8 P4 -","4","1","","Böttcher, Tobias; Shyshkov, Oleg; Bremer, Matthias; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Carbene Complexes of Phosphorus(V) Fluorides by Oxidative Addition of 2,2-Difluorobis(dialkylamines) to Phosphorus(III) Halides","Organometallics","2012","31","4","1278","","10.1021/om2009827","","","0.71073","MoKα","","0.0267","0.0247","","","0.0614","0.0632","","","","","","1.011","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4068010","23.433","0.003","15.0754","0.0019","9.029","0.0011","90","","98.591","0.002","90","","3153.8","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H39 Fe N2 P S -","- C33 H39 Fe N2 P S -","- C132 H156 Fe4 N8 P4 S4 -","4","1","","Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity Study of Iron(II) Complexes with Bulky Bis(anilido)thioether Ligation","Organometallics","2012","31","1","428","","10.1021/om201010a","","","0.71073","MoKα","","0.0678","0.0503","","","0.1138","0.1215","","","","","","0.969","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068779","12.6801","0.0003","21.1499","0.0004","21.4017","0.0004","90","","104.597","0.002","90","","5554.3","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C61 H55 Cl6 O2 Os P3 -","- C61 H55 Cl6 O2 Os P3 -","- C244 H220 Cl24 O8 Os4 P12 -","4","1","","Lin, Yumei; Gong, Lei; Xu, Hui; He, Xumin; Wen, Ting Bin; Xia, Haiping","Nine-Membered Osmacycles Derived from Metathesis Reactions between Alkynes and an Osmafuran","Organometallics","2009","28","5","1524","","10.1021/om8010867","","","0.71073","MoKα","","0.0386","0.0278","","","0.0372","0.0385","","","","","","0.876","","","","has coordinates,has disorder","178577","2020-10-21","18:00:00",""
"4068867","16.6228","0.0003","9.0976","0.0001","15.5802","0.0003","90","","120.004","0.001","90","","2040.41","0.06","293","2","293","2","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C18 H23 Au Cl2 N O P -","- C18 H23 Au Cl2 N O P -","- C72 H92 Au4 Cl8 N4 O4 P4 -","4","1","","Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre Fernández, Laura; García-Granda, Santiago; López Ortiz, Fernando","An Unprecedented Phosphinamidic Gold(III) Metallocycle: Synthesis via Tin(IV) Precursors, Structure, and Multicomponent Catalysis","Organometallics","2009","28","6","1739","","10.1021/om801137y","","x-ray","1.54184","CuKα","","0.0212","0.0202","","","0.0505","0.0681","","","","","","1.325","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068919","9.028","0.0018","26.972","0.005","9.388","0.0019","90","","99.22","0.03","90","","2256.5","0.8","423","2","423","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H31 Cl Fe N P3 -","- C17 H31 Cl2 Fe N P3 -","- C68 H124 Cl8 Fe4 N4 P12 -","4","1","","Shi, Yujie; Li, Min; Hu, Qingping; Li, Xiaoyan; Sun, Hongjian","C−Cl Bond Activation ofortho-Chlorinated Imine with Iron Complexes in Low Oxidation States","Organometallics","2009","28","7","2206","","10.1021/om801162u","","","0.71073","MoKα","","0.0565","0.0562","","","0.1404","0.1426","","","","","","1.352","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069023","9.7501","0.0019","25.206","0.005","12.916","0.002","90","","109.107","0.003","90","","2999.4","1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H33 Br P2 Pd -","- C34 H31 Br P2 Pd -","- C136 H124 Br4 P8 Pd4 -","4","1","","Wakioka, Masayuki; Nakajima, Yumiko; Ozawa, Fumiyuki","Mechanism of C−P Reductive Elimination fromtrans-[Pd(CHCHPh)Br(PMePh2)2]","Organometallics","2009","28","8","2527","","10.1021/om801207k","","x-ray","0.7107","MoKα","","0.0586","0.0496","","","0.1335","0.1374","","","","","","1.048","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069177","25.458","0.005","10.961","0.005","14.499","0.005","90","0.005","118.331","0.005","90","0.005","3561","2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37 H36 Co N5 O4 S4 -","- C37 H36 Co N5 O4 S4 -","- C148 H144 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","","0.0917","0.0802","","","0.1967","0.2295","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069294","11.373","0.0008","35.712","0.002","16.7762","0.0011","90","","95.6443","0.0012","90","","6780.7","0.8","193","2","193","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C61 H53 Cl6 F6 Ir O11 P4 Ru S2 -","- C61 H53 Cl6 F6 Ir O11 P4 Ru S2 -","- C244 H212 Cl24 F24 Ir4 O44 P16 Ru4 S8 -","4","1","","Samant, Rahul G.; Trepanier, Steven J.; Wigginton, James R.; Xu, Li; Bierenstiel, Matthias; McDonald, Robert; Ferguson, Michael J.; Cowie, Martin","Unsymmetrically Bridged Methyl Groups as Intermediates in the Transformation of Bridging Methylene to Bridging Acetyl Groups: Ligand Migrations and Migratory Insertions in Mixed Iridium/Ruthenium Complexes","Organometallics","2009","28","12","3407","","10.1021/om900127u","","","0.71073","MoKα","","0.0552","0.0413","","","0.0841","0.0913","","","","","","1.01","","","","has coordinates,has disorder","178581","2020-10-21","18:00:00",""
"4069319","19.0586","0.0009","24.535","0.0013","10.4449","0.0006","90","","111.207","0.003","90","","4553.3","0.4","148","2","148","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H72 N3 O2 Si2 Y -","- C40 H72 N3 O2 Si2 Y -","- C160 H288 N12 O8 Si8 Y4 -","4","1","","Barroso, Sónia; Cui, Jinlan; Carretas, José Manuel; Cruz, Adelaide; Santos, Isabel C.; Duarte, M. Teresa; Telo, João P.; Marques, Noémia; Martins, Ana M.","Diamine Bis(phenolate) M(III) (Y, Ti) Complexes: Synthesis, Structures, and Reactivity","Organometallics","2009","28","12","3449","","10.1021/om9001389","","","0.71073","MoKα","","0.0741","0.0523","","","0.1043","0.1127","","","","","","0.91","","","","has coordinates,has disorder","178582","2020-10-21","18:00:00",""
"4069409","9.2067","0.001","21.527","0.002","13.1974","0.0014","90","","110.055","0.002","90","","2457","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H39 Ge I Si4 -","- C14 H39 Ge I Si4 -","- C56 H156 Ge4 I4 Si16 -","4","1","","Walker, Randon H.; Miller, Karla A.; Scott, Sara L.; Cygan, Zuzanna T.; Bartolin, Jeffrey M.; Kampf, Jeff W.; Banaszak Holl, Mark M.","Silylene- and Germylene-Mediated C−H Activation: Reaction with Alkanes, Ethers, and Amines","Organometallics","2009","28","9","2744","","10.1021/om900182z","","","0.71073","MoKα","","0.0192","0.0189","","","0.0502","0.0504","","","","","","1.032","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4069442","11.3824","0.0006","11.698","0.0006","17.1197","0.0009","90","","96.946","0.003","90","","2262.8","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H32 N4 Ti -","- C24 H32 N4 Ti -","- C96 H128 N16 Ti4 -","4","1","","Barnea, Eyal; Majumder, Supriyo; Staples, Richard J.; Odom, Aaron L.","One-Step Route to 2,3-Diaminopyrroles Using a Titanium-Catalyzed Four-Component Coupling","Organometallics","2009","28","13","3876","","10.1021/om9001928","","x-ray","0.71073","MoKα","","0.1133","0.0893","","","0.2447","0.2669","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069551","41.674","0.008","9.7404","0.0018","24.917","0.005","90","","104.912","0.003","90","","9774","3","146","2","146","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H32 N2 Pt Si -","- C27 H32 N2 Pt Si -","- C432 H512 N32 Pt16 Si16 -","16","4","","McBee, Jennifer L.; Tilley, T. Don","Five-Coordinate Dihydridosilyl Platinum(IV) Complexes Supported by a Chelating Monoanionic Nitrogen-Based Ligand","Organometallics","2009","28","13","3947","3952","10.1021/om9002686","","","0.71073","MoKα","","0.0834","0.0516","","","0.0874","0.1013","","","","","","1.018","","","","has coordinates","209982","2020-10-21","18:00:00",""
"4069658","19.9737","0.0009","11.1587","0.0005","12.2837","0.0006","90","","122.767","0.001","90","","2302.15","0.19","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H32 Al2 Ca N2 -","- C20 H32 Al2 Ca N2 -","- C80 H128 Al8 Ca4 N8 -","4","1","","Michel, Olaf; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Alkaline-Earth Metal Alkylaluminate Chemistry Revisited","Organometallics","2009","28","16","4783","","10.1021/om900342h","","","0.71073","MoKα","","0.0616","0.0422","","","0.0833","0.0928","","","","","","1.049","","","","has coordinates,has disorder","178585","2020-10-21","18:00:00",""
"4069804","33.381","0.017","9.06","0.03","18.36","0.018","90","","112.18","0.05","90","","5142","18","200.1","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H27 Mo O4 P Pt -","- C26 Mo O4 P Pt -","- C208 Mo8 O32 P8 Pt8 -","8","2","","Tanaka, Shin-ichi; Komine, Nobuyuki; Hirano, Masafumi; Komiya, Sanshiro","Synthesis of Heterodinuclear (Carbene)platinum (or palladium) Complex That Gives μ-Alkenyl-Type Complex by Deprotonation","Organometallics","2009","28","18","5368","","10.1021/om900421k","","","0.71069","MoKα","","","0.1283","","","","0.3691","","","","","","1.408","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069832","23.058","0.003","20.034","0.002","16.7798","0.0018","90","","124.311","0.002","90","","6402.5","1.3","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H84 Cl2 Fe4 O5 P4 Pd2 -","- C60 H84 Cl2 Fe4 O5 P4 Pd2 -","- C240 H336 Cl8 Fe16 O20 P16 Pd8 -","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","","0.0768","0.0552","","","0.1378","0.1555","","","","","","1.035","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069986","11.3501","0.0002","13.3252","0.0002","18.2528","0.0003","90","","107.095","0.002","90","","2638.63","0.08","233","2","233","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H33 N O Ru -","- C31 H33 N O Ru -","- C124 H132 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","","0.0185","0.0179","","","0.0449","0.0453","","","","","","1.057","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4070104","15.4109","0.0017","13.1859","0.0014","12.1179","0.0013","90","","109.525","0.002","90","","2320.8","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H16 Co2 O6 -","- C28 H16 Co2 O6 -","- C112 H64 Co8 O24 -","4","1","","Brusey, Sarah A.; Banide, Emilie V.; Dörrich, Steffen; O’Donohue, Paul; Ortin, Yannick; Müller-Bunz, Helge; Long, Conor; Evans, Paul; McGlinchey, Michael J.","X-ray Crystallographic and NMR Spectroscopic Study of (η2-Alkene)(μ-alkyne)pentacarbonyldicobalt Complexes: Arrested Pauson−Khand Reaction Intermediates","Organometallics","2009","28","21","6308","","10.1021/om900615m","","","0.71073","MoKα","","0.0629","0.0547","","","0.1496","0.1915","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070276","22.0421","0.0006","11.3051","0.0003","15.4125","0.0007","90","","126.353","0.001","90","","3093.15","0.19","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H44 N2 O4 -","- C34 H44 N2 O4 -","- C136 H176 N8 O16 -","4","1","","Panichakul, Duanghathai; Mathey, François","Synthesis, Structure, and Chemistry of 2-Amino-Substituted Phosphirenes","Organometallics","2009","28","19","5705","","10.1021/om900696p","","","0.71073","MoKα","","0.0587","0.0434","","","0.1129","0.1385","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070371","11.571","0.002","10.4698","0.0019","9.7525","0.0018","90","","94.159","0.003","90","","1178.4","0.4","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H14 B Co F4 -","- C11 H14 B Co F4 -","- C44 H56 B4 Co4 F16 -","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","","0.0835","0.0645","","","0.1567","0.172","","","","","","1.119","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070373","7.7145","0.0008","11.7254","0.0012","13.6732","0.0014","90","","99.966","0.001","90","","1218.2","0.2","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H14 B Co F4 -","- C11 H14 B Co F4 -","- C44 H56 B4 Co4 F16 -","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","","0.0383","0.035","","","0.0926","0.0958","","","","","","1.069","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070393","16.381","0.011","28.878","0.019","15.892","0.011","90","","101.625","0.012","90","","7364","9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C75 H111 Cl2 N5 Ni2 -","- C75 H111 Cl2 N5 Ni2 -","- C300 H444 Cl8 N20 Ni8 -","4","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Group-Transfer Reactions of Ni(II)−Ni(II) Bridging Imido Complexes. Catalytic Formation of Carbodiimides and Isocyanates via Nitrene Transfer from Organoazides","Organometallics","2009","28","20","6114","","10.1021/om900783u","","","0.71073","MoKα","","0.0313","0.0294","","","0.0656","0.0662","","","","","","1","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070413","10.733","0.0009","24.161","0.002","17.3937","0.0015","90","","91.912","0.002","90","","4508","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H22 F6 Fe N P -","- C24 H22 F6 Fe N P -","- C192 H176 F48 Fe8 N8 P8 -","8","2","","Coe, Benjamin J.; Docherty, Rebecca J.; Foxon, Simon P.; Harper, Elizabeth C.; Helliwell, Madeleine; Raftery, James; Clays, Koen; Franz, Edith; Brunschwig, Bruce S.","Syntheses and Properties of Salts of Chromophores with Ferrocenyl Electron Donor Groups and Quaternary Nitrogen Acceptors","Organometallics","2009","28","24","6880","","10.1021/om9007955","","","0.71073","MoKα","","0.0784","0.0437","","","0.0768","0.0844","","","","","","0.816","","","","has coordinates,has disorder","178593","2020-10-21","18:00:00",""
"4070415","12.601","0.0003","36.752","0.0009","20.007","0.0005","90","","108.007","0.0012","90","","8811.6","0.4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C48 H44 F6 Fe2 I N2 P -","- C48 H44 F6 Fe2 I N2 P -","- C384 H352 F48 Fe16 I8 N16 P8 -","8","2","","Coe, Benjamin J.; Docherty, Rebecca J.; Foxon, Simon P.; Harper, Elizabeth C.; Helliwell, Madeleine; Raftery, James; Clays, Koen; Franz, Edith; Brunschwig, Bruce S.","Syntheses and Properties of Salts of Chromophores with Ferrocenyl Electron Donor Groups and Quaternary Nitrogen Acceptors","Organometallics","2009","28","24","6880","","10.1021/om9007955","","","0.71073","MoKα","","0.0658","0.056","","","0.1331","0.1427","","","","","","1.092","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070555","16.0645","0.0015","10.2243","0.001","21.086","0.002","90","","104.469","0.001","90","","3353.5","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H57 Fe N2 O2 Sc Si2 -","- C31 H57 Fe N2 O2 Sc Si2 -","- C124 H228 Fe4 N8 O8 Sc4 Si8 -","4","1","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0739","0.0439","","","0.0883","0.1016","","","","","","1.014","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070833","12.9509","0.0006","23.3149","0.0005","15.8222","0.0004","90","","103.269","0.0014","90","","4650","0.3","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","compound 7","","","- C39 H72 O Si7 -","- C39 H72 O Si7 -","- C156 H288 O4 Si28 -","4","1","","Matsumoto, Takeshi; Sasamori, Takahiro; Sato, Kazunobu; Takui, Takeji; Tokitoh, Norihiro","Reduction of a Kinetically Stabilized Silabenzene Leading to the Formation of the Corresponding Anion Radical Species†","Organometallics","2008","27","3","305","","10.1021/om701060a","","","0.71069","MoKα","","0.0504","0.0451","","","0.1094","0.1129","","","","","","1.102","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070840","17.657","0.002","18.14","0.002","16.2916","0.0019","90","","97.237","0.002","90","","5176.6","1","100","2","100","0.2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H66 Cl F3 N2 O6 Os S -","- C53 H66 Cl F3 N2 O6 Os S -","- C212 H264 Cl4 F12 N8 O24 Os4 S4 -","4","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique","Osmium−Allenylidene Complexes Containing an N-Heterocyclic Carbene Ligand","Organometallics","2008","27","4","795","","10.1021/om7010694","","","0.71069","MoKα","","0.0566","0.047","","","0.0917","0.0956","","","","","","0.995","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070842","22.677","0.002","22.619","0.002","21.715","0.002","90","","113.325","0.002","90","","10228","1.6","105","2","105","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C51.5 H70 B Cl2 F4 N2 Os P -","- C51.5 H70 B Cl2 F4 N2 Os P -","- C412 H560 B8 Cl16 F32 N16 Os8 P8 -","8","2","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique","Osmium−Allenylidene Complexes Containing an N-Heterocyclic Carbene Ligand","Organometallics","2008","27","4","795","","10.1021/om7010694","","","0.71073","MoKα","","0.1494","0.065","","","0.0944","0.114","","","","","","0.767","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4070861","17.5733","0.0016","8.3436","0.0008","13.953","0.0013","90","","126.871","0.001","90","","1636.7","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[(eta6-benzonitrile)Ru(eta5-C5Me4CH2OH)]Cl","","- C17 H20 Cl N O Ru -","- C17 H20 Cl N O Ru -","- C68 H80 Cl4 N4 O4 Ru4 -","4","1","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0321","0.0275","","","0.0663","0.068","","","","","","1.017","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4071277","10.268","0.004","15.146","0.007","20.165","0.009","90","","98.215","0.007","90","","3104","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H13 Fe4 O12 P S2 -","- C25 H13 Fe4 O12 P S2 -","- C100 H52 Fe16 O48 P4 S8 -","4","1","","Song, Li-Cheng; Zeng, Guang-Huai; Lou, Shao-Xia; Zan, Hui-Ning; Ming, Jiang-Bo; Hu, Qing-Mei","Synthetic and Structural Studies of Butterfly Fe/S/P Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases. Proton Reduction to H2Catalyzed by (η1-Ph2PS-η1)2Fe2(CO)6","Organometallics","2008","27","15","3714","","10.1021/om800077c","","","0.71073","MoKα","","0.0856","0.049","","","0.071","0.0801","","","","","","1.043","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071389","12.0568","0.0004","21.1776","0.0006","12.7975","0.0004","90","","114.415","0.004","90","","2975.43","0.19","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H36 Cl4 O6 P2 Pt -","- C20.3559 H34.8474 Cl3.9322 O5.7966 P1.9322 Pt -","- C81.4236 H139.39 Cl15.7288 O23.1864 P7.7288 Pt4 -","4","1","","Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris","General Routes to Alkyl Phosphatrioxaadamantane Ligands","Organometallics","2008","27","13","3216","","10.1021/om800141y","","","0.71073","MoKα","","0.0343","0.0274","","","0.0566","0.0578","","","","","","1.014","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4071455","19.4008","0.0014","9.8601","0.0006","16.1374","0.0008","90","","121.044","0.002","90","","2644.8","0.3","243.1","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H31 Cl2 N2 O V -","- C27 H31 Cl2 N2 O V -","- C108 H124 Cl8 N8 O4 V4 -","4","1","","Onishi, Yoshifumi; Katao, Shohei; Fujiki, Michiya; Nomura, Kotohiro","Synthesis and Structural Analysis of (Arylimido)vanadium(V) Complexes Containing Phenoxyimine Ligands: New, Efficient Catalyst Precursors for Ethylene Polymerization","Organometallics","2008","27","11","2590","","10.1021/om800177g","","","0.71075","MoKα","","","0.0323","","","","0.056","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071484","10.7729","0.0015","22.084","0.003","16.445","0.002","90","","93.904","0.003","90","","3903.3","0.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H51 F3 N2 O4 Os S -","- C38 H51 F3 N2 O4 Os S -","- C152 H204 F12 N8 O16 Os4 S4 -","4","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique","Preparation, X-ray Structure, and Reactivity of an Osmium-Hydroxo Complex Stabilized by an N-Heterocyclic Carbene Ligand: A Base-Free Catalytic Precursor for Hydrogen Transfer from 2-Propanol to Aldehydes","Organometallics","2008","27","13","3240","","10.1021/om800183k","","","0.71073","MoKα","","0.0783","0.0638","","","0.1373","0.1448","","","","","","1.009","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071509","14.5821","0.0012","15.1108","0.0012","15.6511","0.0013","90","","104.777","0.001","90","","3334.6","0.5","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H36 Cl2 N5 O P Ru -","- C37 H36 Cl2 N5 O P Ru -","- C148 H144 Cl8 N20 O4 P4 Ru4 -","4","1","","Zeng, Fanlong; Yu, Zhengkun","Exceptionally Efficient Unsymmetrical Ruthenium(II) NNN Complex Catalysts Bearing a Pyridyl-Based Pyrazolyl−Imidazolyl Ligand for Transfer Hydrogenation of Ketones","Organometallics","2008","27","13","2898","","10.1021/om8002043","","","0.71073","MoKα","","0.0532","0.0506","","","0.1346","0.1394","","","","","","1.054","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071744","30.6236","0.0006","10.3226","0.0002","17.6987","0.0004","90","","122.813","0.001","90","","4702.14","0.18","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H7 B F45 N P2 Pt -","- C40 H7 B F45 N P2 Pt -","- C160 H28 B4 F180 N4 P8 Pt4 -","4","1","","Basu, Sayanti; Arulsamy, Navamoney; Roddick, Dean M.","Synthesis of [(dfepe)Pt(Me)(NC5F5)]+B(C6F5)4−, a Highly Active Ethylene Dimerization Catalyst","Organometallics","2008","27","15","3659","","10.1021/om8003509","","","0.71073","MoKα","","0.0312","0.0269","","","0.0529","0.0552","","","","","","0.865","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071919","15.3746","0.0014","18.3542","0.0016","12.656","0.001","90","","108.44","0.002","90","","3388","0.5","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","04217","","","- C22 H22 Cr -","- C22 H22 Cr -","- C176 H176 Cr8 -","8","2","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Pink, Maren; Brennessel, William W.; Young, Victor G.","Tunable Spin-Crossover Behavior in Polymethylated Bis(indenyl)chromium(II) Complexes: The Significance of Benzo-Ring Substitution","Organometallics","2008","27","21","5464","","10.1021/om800473z","","","0.71073","MoKα","","0.0458","0.0364","","","0.0835","0.0893","","","","","","1.042","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4072027","17.9262","0.001","17.6733","0.001","9.2157","0.0006","90","","95.485","0.003","90","","2906.3","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H4 B Cu F21 N7 -","- C26 H4 B Cu F21 N7 -","- C104 H16 B4 Cu4 F84 N28 -","4","1","","Despagnet-Ayoub, Emmanuelle; Jacob, Kane; Vendier, Laure; Etienne, Michel; Álvarez, Eleuterio; Caballero, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.","A New Perfluorinated F21-Tp Scorpionate Ligand: Enhanced Alkane Functionalization by Carbene Insertion with (F21-Tp)M Catalysts (M = Cu, Ag)","Organometallics","2008","27","18","4779","","10.1021/om800531a","","","0.71073","MoKα","","0.0351","0.0273","","","0.0615","0.0647","","","","","","1.002","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072150","14.925","0.003","17.76","0.003","9.3659","0.0018","90","","99.702","0.003","90","","2447.1","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H27 I2 N5 O Ru -","- C21 H27 I2 N5 O Ru -","- C84 H108 I8 N20 O4 Ru4 -","4","1","","Zeng, Fanlong; Yu, Zhengkun","Ruthenium(II) Complexes Bearing a Pyridyl-Supported Pyrazolyl−N-Heterocyclic Carbene (NNC) Ligand and Their Catalytic Activity in the Transfer Hydrogenation of Ketones","Organometallics","2008","27","22","6025","","10.1021/om8006213","","","0.71073","MoKα","","0.0582","0.057","","","0.1504","0.1516","","","","","","1.047","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072476","8.838","0.002","19.349","0.002","10.576","0.002","90","","90.54","0.02","90","","1808.5","0.6","293.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H18 Cl3 O4 Ta -","- C14 H18 Cl3 O4 Ta -","- C56 H72 Cl12 O16 Ta4 -","4","1","","Oshiki, Toshiyuki; Yamada, Atsushi; Kawai, Kimio; Arimitsu, Hirotaka; Takai, Kazuhiko","Alkyne Exchange Reactions of Silylalkyne Complexes of Tantalum: Mechanistic Investigation and Its Application in the Preparation of New Tantalum Complexes Having Functional Alkynes (PhC⋮CR (R = COOMe, CONMe2))","Organometallics","2007","26","1","173","","10.1021/om060659z","","","0.7107","MoKa","","","0.0483","","","","0.1249","","","","","","1.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072594","10.4153","0.0002","16.0983","0.0004","13.4869","0.0002","90","","92.393","0.001","90","","2259.36","0.08","153","","153","1","","","","","","","see text","6","C 1 c 1","C -2yc","9","","not known","","- C21 H26 Br2 N2 Ni O -","- C21 H26 Br2 N2 Ni O -","- C84 H104 Br8 N8 Ni4 O4 -","4","1","","Kaul, Franz A. R.; Puchta, Gerd T.; Frey, Guido D.; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Iminopyridine Complexes of 3d Metals for Ethylene Polymerization: Comparative Structural Studies and Ligand Size Controlled Chain Termination","Organometallics","2007","26","4","988","","10.1021/om060857q","","","0.71073","MoKα","","0.0202","0.0191","","","0.0434","0.0439","","","","","","1.042","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072853","6.055","0.001","17.628","0.005","22.867","0.006","90","","96.504","0.016","90","","2425.1","1","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H35 B2 K N2 O -","- C24 H35 B2 K N2 O -","- C96 H140 B8 K4 N8 O4 -","4","1","","Ly, Hanh V.; Forster, Taryn D.; Corrente, Andrea M.; Eisler, Dana J.; Konu, Jari; Parvez, Masood; Roesler, Roland","Alkali-Metal Sandwich Complexes of a 1,2-Diaza-3,5-diborolyl Ligand Featuring η1, η2, η3, and η4Coordination Modes","Organometallics","2007","26","7","1750","","10.1021/om061091x","","","0.71073","MoKα","","0.0421","0.036","","","0.0897","0.0938","","","","","","1.047","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4073039","33.0555","0.0009","18.36","0.0005","22.3436","0.0006","90","","101.466","0.002","90","","13289.7","0.6","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","C(Ph2P=N-(2,6-iPr-C6H3))Ca + 2 Cy-N=C=O","","","- C130 H160 Ca2 N8 O5 P4 -","- C130 H160 Ca2 N8 O5 P4 -","- C520 H640 Ca8 N32 O20 P16 -","4","1","","Orzechowski, Lars; Harder, Sjoerd","Isolation of an Intermediate in the Catalytic Trimerization of Isocyanates by a Monomeric Calcium Carbene with Chelating Iminophosphorane Substituents","Organometallics","2007","26","9","2144","","10.1021/om070023n","","","0.71073","MoKα","","0.0395","0.0374","","","0.1041","0.1055","","","","","","1.094","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073156","13.647","0.003","7.1668","0.0015","18.496","0.004","90","","110.722","0.004","90","","1692","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H25 B9 N2 O Ti -","- C8 H25 B9 N2 O Ti -","- C32 H100 B36 N8 O4 Ti4 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structure, and Reactivity of [σ:η1:η5-(OCH2)(Me2NCH2)C2B9H9]Ti(NR2) (R = Me, Et)","Organometallics","2007","26","10","2694","","10.1021/om070128q","","","0.71073","MoKα","","0.0523","0.0415","","","0.1057","0.1157","","","","","","0.934","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073523","9.784","0.0005","10.9423","0.0006","13.7195","0.0007","90","","95.568","0.002","90","","1461.87","0.13","100","","100","","","","","","","","dichloromethane/diethylether/ethanol","6","C 1 c 1","C -2yc","9","","cis-cis-cis-cyclododeca-1,5,9-triene-methanol-copper(i) tetrafluoroborate","","- C13 H22 B Cu F4 O -","- C13 H22 B Cu F4 O -","- C52 H88 B4 Cu4 F16 O4 -","4","1","","Chernyshova, Eleonora S.; Goddard, Richard; Pörschke, Klaus-Richard","cis,cis,cis-1,5,9-Cyclododecatriene−Metal Complexes","Organometallics","2007","26","20","4872","","10.1021/om7004172","","","0.71073","MoKα","","0.0347","0.0272","","","0.0595","0.062","","","","","","1.059","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073574","10.6948","0.0002","38.0333","0.0008","15.2449","0.0002","90","","110.003","0.001","90","","5826.92","0.18","100","2","100","2","","","","","","","synthesis","6","C 1 c 1","C -2yc","9","","","","- C31 H32 F6 O P2 Ru -","- C31 H32 F6 O P2 Ru -","- C248 H256 F48 O8 P16 Ru8 -","8","2","","Díez, J.; Gamasa, M. P.; Lastra, E.; Villar, A.; Pérez-Carreño, E.","Regioselective Synthesis of η4-Dienylphosphane Ruthenium Complexes by Oxidative Coupling Reactions","Organometallics","2007","26","22","5315","","10.1021/om700476f","","","1.54178","CuKα","","0.06","0.0504","","","0.115","0.1204","","","","","","1.021","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073589","19.2398","0.0009","9.405","0.0004","14.0453","0.0006","90","","119.323","0.002","90","","2215.87","0.17","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H40 Ir P3 Si -","- C15 H40 Ir P3 Si -","- C60 H160 Ir4 P12 Si4 -","4","1","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Synthesis, Structure, and Spectroscopy of Silaallyl− and Silapentadienyl−Iridium−Phosphine Complexes1","Organometallics","2007","26","16","3904","","10.1021/om700487n","","","0.71073","MoKα","","0.0163","0.0161","","","0.0386","0.0387","","","","","","1.061","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073591","12.651","0.0006","13.0711","0.0006","13.2542","0.0006","90","","96.138","0.002","90","","2179.18","0.17","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H38 Ir P3 Si -","- C15 H38 Ir P3 Si -","- C60 H152 Ir4 P12 Si4 -","4","1","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Synthesis, Structure, and Spectroscopy of Silaallyl− and Silapentadienyl−Iridium−Phosphine Complexes1","Organometallics","2007","26","16","3904","","10.1021/om700487n","","","0.71073","MoKα","","0.0184","0.0173","","","0.0325","0.0328","","","","","","1.028","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073657","13.6686","0.0001","14.7131","0.0002","21.1858","0.0002","90","","93.7665","0.0005","90","","4251.42","0.08","200","","200","","","","","","","","?","5","C 1 c 1","C -2yc","9","","","","- C48 H40 F6 P3 Sb -","- C48 H40 F6 P3 Sb -","- C192 H160 F24 P12 Sb4 -","4","1","","Kilah, Nathan L.; Petrie, Simon; Stranger, Robert; Wielandt, J. Wolfram; Willis, Anthony C.; Wild, S. Bruce","Triphenylphosphine-Stabilized Diphenyl-Arsenium, -Stibenium, and -Bismuthenium Salts","Organometallics","2007","26","25","6106","","10.1021/om700512h","","","0.71073","MoKα","","0.0464","0.0256","","0.0457","0.0278","0.0278","","","","","","1.1229","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073658","13.6442","0.0003","14.6791","0.0004","21.3363","0.0004","90","","92.0761","0.0014","90","","4270.53","0.17","200","","200","","","","","","","","?","5","C 1 c 1","C -2yc","9","","","","- C48 H40 Bi F6 P3 -","- C48 H40 Bi F6 P3 -","- C192 H160 Bi4 F24 P12 -","4","1","","Kilah, Nathan L.; Petrie, Simon; Stranger, Robert; Wielandt, J. Wolfram; Willis, Anthony C.; Wild, S. Bruce","Triphenylphosphine-Stabilized Diphenyl-Arsenium, -Stibenium, and -Bismuthenium Salts","Organometallics","2007","26","25","6106","","10.1021/om700512h","","","0.71073","MoKα","","0.064","0.0447","","0.0849","0.0511","0.0511","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073667","6.993","0.0014","28.041","0.006","13.723","0.003","90","","94.46","0.03","90","","2682.8","1","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H38 Br N3 P2 Pt -","- C23 H38 Br N3 P2 Pt -","- C92 H152 Br4 N12 P8 Pt4 -","4","1","","Zenkina, Olena; Altman, Marc; Leitus, Gregory; Shimon, Linda J. W.; Cohen, Revital; van der Boom, Milko E.","From Azobenzene Coordination to Aryl−Halide Bond Activation by Platinum","Organometallics","2007","26","18","4528","","10.1021/om700519v","","","0.71073","MoKα","","0.0298","0.0269","","","0.064","0.0652","","","","","","1.049","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073824","23.967","0.01","8.126","0.004","15.972","0.006","90","","107.487","0.018","90","","2967","2","243.1","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H39 Cl2 N O Ti -","- C30 H39 Cl2 N O Ti -","- C120 H156 Cl8 N4 O4 Ti4 -","4","1","","Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling","Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization","Organometallics","2007","26","24","5967","","10.1021/om700660b","","","0.71075","MoKα","","","0.0335","","","","0.0873","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073830","24.043","0.003","8.1281","0.0008","16.5418","0.0017","90","","108.631","0.003","90","","3063.3","0.6","243.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H45 N O Ti -","- C32 H45 N O Ti -","- C128 H180 N4 O4 Ti4 -","4","1","","Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling","Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization","Organometallics","2007","26","24","5967","","10.1021/om700660b","","","0.71075","MoKα","","","0.0364","","","","0.0828","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073944","9.426","0.0019","17.381","0.006","25.2","0.005","90","","92.44","0.03","90","","4124.9","1.8","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H66 Si11 -","- C22 H66 Si11 -","- C88 H264 Si44 -","4","1","","Wagner, Harald; Wallner, Andreas; Fischer, Jelena; Flock, Michaela; Baumgartner, Judith; Marschner, Christoph","Rearrangement of Cyclic Silanes with Aluminum Trichloride","Organometallics","2007","26","27","6704","","10.1021/om7007524","","","0.71073","MoKα","","0.1812","0.1543","","","0.3345","0.3548","","","","","","1.135","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4073972","14.873","0.008","11.336","0.005","17.234","0.008","90","","93.618","0.019","90","","2900","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H28 Cl6 N4 Pd -","- C26 H28 Cl6 N4 Pd -","- C104 H112 Cl24 N16 Pd4 -","4","1","","Burns, Christopher T.; Jordan, Richard F.","Ethylene Polymerization by Sterically Crowded Palladium(II) Complexes that Contain Bis(heterocycle)methane Ligands","Organometallics","2007","26","27","6737","","10.1021/om700768j","","","0.71073","MoKα","","0.0291","0.0286","","","0.0709","0.0713","","","","","","1.035","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4073974","19.916","0.005","8.403","0.002","19.238","0.005","90","","98.87","0.004","90","","3181.1","1.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H33 Cl5 N2 Pd -","- C31 H33 Cl5 N2 Pd -","- C124 H132 Cl20 N8 Pd4 -","4","1","","Burns, Christopher T.; Jordan, Richard F.","Ethylene Polymerization by Sterically Crowded Palladium(II) Complexes that Contain Bis(heterocycle)methane Ligands","Organometallics","2007","26","27","6737","","10.1021/om700768j","","","0.71073","MoKα","","0.0236","0.0233","","","0.0527","0.0528","","","","","","1.027","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074062","27.346","0.0011","12.2423","0.0005","18.151","0.0007","90","","97.007","0.001","90","","6031.2","0.4","223","2","223","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C52 H75 B2 F8 N9 O Pd2 S2 -","- C52 H75 B2 F8 N9 O Pd2 S2 -","- C208 H300 B8 F32 N36 O4 Pd8 S8 -","4","1","","Huynh, Han Vinh; Jothibasu, Ramasamy; Koh, Lip Lin","Dipalladium Bis(μ-isopropylthiolato) Complexes with a [Pd2S2] Core Supported by N-Heterocyclic Carbenes","Organometallics","2007","26","27","6852","","10.1021/om700867e","","","0.71073","MoKα","","0.0452","0.0421","","","0.1022","0.1046","","","","","","1.043","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074233","8.3963","0.0017","14.22","0.003","32.546","0.007","90","","94.61","0.03","90","","3873.3","1.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 Co2 O6 Si -","- C17 H14 Co2 O6 Si -","- C136 H112 Co16 O48 Si8 -","8","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0731","0.0607","","","0.1229","0.129","","","","","","1.079","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074570","13.647","0.003","7.1668","0.0015","18.496","0.004","90","","110.722","0.004","90","","1692","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H25 B9 N2 O Ti -","- C8 H25 B9 N2 O Ti -","- C32 H100 B36 N8 O4 Ti4 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Guanylation of Amines Catalyzed by a Half-Sandwich Titanacarborane Amide Complex","Organometallics","2006","25","23","5515","","10.1021/om060811x","","","0.71073","MoKα","","0.0523","0.0415","","","0.1057","0.1157","","","","","","0.934","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074593","13.877","0.01","20.404","0.01","7.706","0.005","90","","116.153","0.014","90","","1959","2","233","2","233","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H11 B F10 -","- C21 H11 B F10 -","- C84 H44 B4 F40 -","4","1","","Cummings, Sarah A.; Iimura, Masanori; Harlan, C. Jeff; Kwaan, Rebecca J.; Trieu, Isabelle Vu; Norton, Jack R.; Bridgewater, Brian M.; Jäkle, Frieder; Sundararaman, Anand; Tilset, Mats","An Estimate of the Reduction Potential of B(C6F5)3from Electrochemical Measurements on Related Mesityl Boranes","Organometallics","2006","25","7","1565","","10.1021/om050003q","","","0.71073","MoKα","","0.0423","0.0393","","","0.1089","0.1117","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074648","11.5318","0.0008","27.2656","0.0019","15.4718","0.0011","90","","93.05","0.02","90","","4857.8","0.6","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Me4C2Cp2CrCNdiep][BARF] + toluene","","","- C56 H37 B Cr F20 N -","- C56 H37 B Cr F20 N -","- C224 H148 B4 Cr4 F80 N4 -","4","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0685","0.0438","","","0.0798","0.0886","","","","","","1.014","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074899","33.0696","0.0004","9.9668","0.0002","18.6939","0.0003","90","","123.98","0.0006","90","","5109.28","0.15","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H48 Ag3 Au3 P2 -","- C54 H48 Ag3 Au3 P2 -","- C216 H192 Ag12 Au12 P8 -","4","1","","Schuster, Oliver; Monkowius, Uwe; Schmidbaur, Hubert; Ray, R. Shyama; Krüger, Sven; Rösch, Notker","Unexpected Structural Preference for Aggregates with Metallophilic Ag- - -Au Contacts in (Trimethylphosphine)silver(I) and -gold(I) Phenylethynyl Complexes. An Experimental and Theoretical Study","Organometallics","2006","25","4","1004","","10.1021/om050985z","","","0.71073","MoKα","","0.0396","0.0371","","","0.0941","0.0959","","","","","","1.069","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4075017","31.825","0.0003","17.073","0.0002","19.204","0.0002","90","","126.604","0.001","90","","8376.53","0.19","173","1","173","1","","","","","","","","6","C 1 c 1","C -2yc","9","complex 3b","","","- C88 H92 Cd F20 N2 Pt2 -","- C88 H92 Cd F20 N2 Pt2 -","- C352 H368 Cd4 F80 N8 Pt8 -","4","1","","Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§","Organometallics","2006","25","9","2274","","10.1021/om051094u","","","0.71073","MoKα","","0.0744","0.0589","","","0.1367","0.1437","","","","","","1.162","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075046","13.295","0.002","20.45","0.003","7.3573","0.0012","90","","121.332","0.003","90","","1708.6","0.5","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H18 N2 S2 -","- C20 H18 N2 S2 -","- C80 H72 N8 S8 -","4","1","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.054","0.0468","","","0.1022","0.1054","","","","","","1.024","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075068","22.0107","0.0018","12.6962","0.001","15.0501","0.0013","90","","128.556","0.002","90","","3288.9","0.5","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H46 Mo O2 Si2 -","- C33 H46 Mo O2 Si2 -","- C132 H184 Mo4 O8 Si8 -","4","1","","Hirotsu, Masakazu; Nunokawa, Takehiko; Ueno, Keiji","Synthesis and Reactivity of a Donor-Free (Silyl)(silylene)molybdenum Complex: Novel Insertion Reaction of an Isocyanide into a Si−C Bond","Organometallics","2006","25","7","1554","","10.1021/om060022f","","","0.71073","MoKα","","0.0307","0.0306","","","0.0788","0.0791","","","","","","1.077","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075136","11.9574","0.0006","24.899","0.0012","11.8565","0.0006","90","","102.277","0.002","90","","3449.3","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","991 [Pd(PNP-tBu)(Cl)].Cl.2CH2Cl2","","","- C23 H45 Cl6 N3 P2 Pd -","- C22.807 H44.614 Cl5.614 N3 P2 Pd -","- C91.228 H178.456 Cl22.456 N12 P8 Pd4 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0309","0.0296","","","0.0773","0.0782","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075252","14.491","0.003","15.479","0.002","17.36","0.003","90","","90.3","0.03","90","","3893.9","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H30 Fe N6 O Sn2 -","- C41 H30 Fe N6 O Sn2 -","- C164 H120 Fe4 N24 O4 Sn8 -","4","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0379","0.0315","","","0.0686","0.0708","","","","","","0.929","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075295","25.81","0.006","13.462","0.003","24.976","0.006","90","","114.184","0.003","90","","7916","3","293.1","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C77 H99 Ag O12 P2 Pt Si7 -","- C77 H89 Ag O12 P2 Pt Si7 -","- C308 H356 Ag4 O48 P8 Pt4 Si28 -","4","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0478","","","","0.1375","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075532","11.262","0.003","31.713","0.01","7.774","0.002","90","","113.492","0.004","90","","2546.4","1.2","127","2","127","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H42 Ru -","- C32 H42 Ru -","- C128 H168 Ru4 -","4","1","","Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don","Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative","Organometallics","2006","25","18","4286","","10.1021/om0603464","","","0.71073","MoKα","","0.0368","0.0343","","","0.0876","0.0899","","","","","","1.07","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075693","16.7591","0.0014","11.2544","0.0009","17.1493","0.0015","90","","102.501","0.002","90","","3157.9","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H42 Cl3 O P2 Rh -","- C32 H42 Cl3 O P2 Rh -","- C128 H168 Cl12 O4 P8 Rh4 -","4","1","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.0329","0.0286","","","0.0615","0.063","","","","","","1.013","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075694","16.725","0.002","11.2189","0.0019","17.095","0.003","90","","102.016","0.015","90","","3137.4","0.9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H42 Cl4 P2 Pd -","- C31 H42 Cl4 P2 Pd -","- C124 H168 Cl16 P8 Pd4 -","4","1","","Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.","Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue","Organometallics","2005","24","3","335","","10.1021/om049136m","","","0.71073","MoKα","","0.041","0.0329","","","0.0644","0.0664","","","","","","0.98","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075771","22.568","0.001","8.5213","0.0003","17.8092","0.0005","90","","97.387","0.002","90","","3396.4","0.2","213.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H30 N2 O2 P2 Rh2 -","- C39 H30 N2 O2 P2 Rh2 -","- C156 H120 N8 O8 P8 Rh8 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0325","","","","0.0978","","","","","","0.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075793","12.0777","0.0003","11.31","0.0003","16.7043","0.0005","90","","100.634","0.0001","90","","2242.6","0.11","198","2","198","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H30 O Ru -","- C28 H30 O Ru -","- C112 H120 O4 Ru4 -","4","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0496","0.0443","","","0.1118","0.1155","","","","","","1.083","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075835","28.993","0.003","11.078","0.0011","21.234","0.002","90","","125.623","0.002","90","","5543.8","1","130","2","130","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C60 H69 F3 N2 O6 P2 Ru S -","- C60 H69 F3 N2 O6 P2 Ru S -","- C240 H276 F12 N8 O24 P8 Ru4 S4 -","4","1","","Smurnyy, Yegor; Bibal, Christine; Pink, Maren; Caulton, Kenneth G.","New Features of Bis(phosphinimine)-“carbene” Binding to RuII","Organometallics","2005","24","16","3849","","10.1021/om050180r","","","0.71073","MoKα","","0.0588","0.0446","","","0.1027","0.1095","","","","","","1.026","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4075947","22.344","0.002","12.843","0.0014","22.869","0.002","90","","111.36","0.006","90","","6111.8","1","120","","120","","","","","","","","","6","C 1 c 1","C -2yc","9","(2,2,3,3-tetramethyl-1,1,4,4-tetraphenyl- 2,3-disilatetragerman-1,4-diyl)bis (triphenylphosphine)platinum","(2,2,3,3-tetramethyl-1,1,4,4-tetraphenyl- 2,3-disilatetragerman-1,4-diyl)bis (triphenylphosphine)platinum","","- C70 H67 Ge2 P2 Pt Si2 -","- C70 H68 Ge2 P2 Pt Si2 -","- C280 H272 Ge8 P8 Pt4 Si8 -","4","1","","Usui, Yoko; Hosotani, Sayaka; Ogawa, Aki; Nanjo, Masato; Mochida, Kunio","Successive Formation of Hydrido(germyl)platinum, Germaplatinacycle, and Germylene-Bridged Dinuclear Platinum Complexes from the Reaction of a Zerovalent Platinum Complex with α,ω-Dihydrodigermanes","Organometallics","2005","24","18","4337","","10.1021/om0503287","","","0.71073","MoKα","","0.0419","0.0393","","","0.1124","0.1148","","","","","","1.051","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4076323","15.9614","0.0009","9.8616","0.0005","14.7153","0.0009","90","","105.083","0.007","90","","2236.5","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H23 Co O4 -","- C28 H23 Co O4 -","- C112 H92 Co4 O16 -","4","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.059","0.0412","","","0.0791","0.0833","","","","","","0.934","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076327","16.3726","0.0009","9.9754","0.0006","14.5407","0.0008","90","","104.215","0.006","90","","2302.1","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","organometallic network","","","- C30 H25 Cr O4 -","- C30 H25 Cr O4 -","- C120 H100 Cr4 O16 -","4","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.0823","0.0487","","","0.0881","0.0941","","","","","","0.989","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076391","8.3961","0.0004","24.1322","0.0015","9.1451","0.0005","90","","111.076","0.002","90","","1728.99","0.17","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H23 N2 O2 P W -","- C15 H23 N2 O2 P W -","- C60 H92 N8 O8 P4 W4 -","4","1","","van der Eide, Edwin F.; Liu, Tianbiao; Camaioni, Donald M.; Walter, Eric D.; Bullock, R. Morris","Facile Thermal W‒W Bond Homolysis in the N-Heterocyclic Carbene Containing Tungsten Dimer [CpW(CO)2(IMe)]2","Organometallics","2012","31","5","1775","","10.1021/om201162g","","","0.71073","MoKα","","0.0121","0.012","","","0.0277","0.0278","","","","","","1","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076831","13.286","0.003","15.15","0.003","21.303","0.004","90","","98.6","0.03","90","","4239.7","1.5","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C56 H42 Cl W -","- C56 H42 Cl W -","- C224 H168 Cl4 W4 -","4","1","","Yeh, Wen-Yann; Peng, Shie-Ming; Lee, Gene-Hsiang","WCl(η2-C2Ph2)(η6-C6Ph6H): A Compound Containing a Metallacycloheptatriene Unit from Trimerization of Diphenylacetylene with W(NMe3)(η2-C2Ph2)3","Organometallics","2002","21","14","3058","","10.1021/om0201009","","","0.71073","MoKα","","0.0457","0.0313","","0.0797","0.0751","","","","1.048","1.093","1.093","","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076884","10.1667","0.0006","17.8999","0.0011","11.9921","0.0007","90","","93.309","0.002","90","","2178.7","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H31 Cl N2 O Ru -","- C22 H31 Cl N2 O Ru -","- C88 H124 Cl4 N8 O4 Ru4 -","4","1","","Hayashida, Taizo; Nagashima, Hideo","Access to Novel Ruthenium−Amidinate Complexes, (η6-arene)Ru(η2-amidinate)X and [Ru(η2-amidinate)(MeCN)4]+PF6-by Photochemical Displacement of the Benzene Ligand in (η6-C6H6)Ru(η2-amidinate)X","Organometallics","2002","21","19","3884","","10.1021/om020227y","","","0.71069","MoKα","","0.0549","0.0413","","","0.1021","0.1114","","","","","","0.761","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4077015","19.605","0.004","11.84","0.002","18.611","0.004","90","","96.58","0.003","90","","4291.6","1.5","299","2","299","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H52 N2 P4 Si2 Sn -","- C38 H52 N2 P4 Si2 Sn -","- C152 H208 N8 P16 Si8 Sn4 -","4","1","","Wang, Zhong-Xia; Li, Ye-Xin","Lithium, Potassium, and Tin(II) Complexes of Novel 3-(Iminophosphorano)-1-phosphaallyl and 2-(Iminophosphorano)-1-phosphaallyl Ligands","Organometallics","2002","21","22","4641","","10.1021/om020422c","","","0.71073","MoKα","","0.0873","0.042","","","0.0584","0.0698","","","","","","0.877","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077138","22.986","0.003","30.121","0.004","16.062","0.002","90","","129.574","0.002","90","","8571.9","1.9","153","2","153","","","","","","","","","8","C 1 c 1","C -2yc","9","","[(m2,h1:h4:h1-(1,4-bis(2-(diphenylphosphino)ethoxy)naphthalene))2Rh2] [BF4]2","","- C309 H272 B8 Cl6 F32 O17 P16 Rh8 -","- C309 H272 B8 Cl6 F32 O17 P16 Rh8 -","- C309 H272 B8 Cl6 F32 O17 P16 Rh8 -","1","0.25","","Holliday, Bradley J.; Jeon, You-Moon; Mirkin, Chad A.; Stern, Charlotte L.; Incarvito, Christopher D.; Zakharov, Lev N.; Sommer, Roger D.; Rheingold, Arnold L.","Probing the Mechanistic and Energetic Basis for the Weak-Link Approach to Supramolecular Coordination Complexes","Organometallics","2002","21","26","5713","","10.1021/om020739c","","","0.71069","MoKα","","0.0558","0.0483","","","0.131","0.1386","","","","","","1.092","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077145","16.7631","0.0012","15.732","0.0011","15.0215","0.0011","90","","111.1","0.004","90","","3695.8","0.5","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H36 Au Cl P2 -","- C45 H36 Au Cl P2 -","- C180 H144 Au4 Cl4 P8 -","4","1","","Vicente, José; Singhal, Anshu R.; Jones, Peter G.","New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes","Organometallics","2002","21","26","5887","","10.1021/om020753p","","","0.71073","MoKα","","0.028","0.0218","","","0.039","0.0401","","","","","","0.951","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077146","17.1531","0.0011","15.8402","0.0011","15.1264","0.0008","90","","112.657","0.003","90","","3792.8","0.4","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H38 Au Cl O P2 -","- C46 H38 Au Cl O P2 -","- C184 H152 Au4 Cl4 O4 P8 -","4","1","","Vicente, José; Singhal, Anshu R.; Jones, Peter G.","New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes","Organometallics","2002","21","26","5887","","10.1021/om020753p","","","0.71073","MoKα","","0.0201","0.0179","","","0.0355","0.0359","","","","","","0.982","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077239","20.0291","0.0008","11.2852","0.0004","16.6256","0.0006","90","","102.999","0.002","90","","3661.6","0.2","160","2","160","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H50 Cs N2 P Si2 -","- C32 H50 Cs N2 P Si2 -","- C128 H200 Cs4 N8 P4 Si8 -","4","1","","Izod, Keith; Clegg, William; Liddle, Stephen T.","The First Structurally Authenticated Rb−PR3and Cs−PR3Contacts. Synthesis and Crystal Structures of [Rb{(Me3Si)2CP(C6H4-2-CH2NMe2)2}]nand [Cs{(Me3Si)2CP(C6H4-2-CH2NMe2)2}(toluene)]n","Organometallics","2001","20","3","367","","10.1021/om0008732","","","0.71073","MoKα","","0.0206","0.0192","","","0.0392","0.0394","","","","","","0.919","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077278","38.213","0.008","10.46","0.002","18.533","0.004","90","","90","0.03","90","","7408","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H112 B20 Li4 O7 Si2 -","- C54 H108 B20 Li4 O7 Si2 -","- C216 H432 B80 Li16 O28 Si8 -","4","1","","Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)","Organometallics","2001","20","11","2359","","10.1021/om010031i","","","0.71073","MoKα","","0.1287","0.1092","","","0.2779","0.3002","","","","","","1.195","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077416","36.35","0.02","6.473","0.003","12.711","0.007","90","","90.12","0.02","90","","2991","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H31 Ag2 N5 O7 -","- C30 H31 Ag2 N5 O7 -","- C120 H124 Ag8 N20 O28 -","4","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Tan, Song-De; Wang, Yu; Shi, Jian-Xin; Tong, Ye-Xiang; Lee, Hung Kay; Chen, Xiao-Ming","Syntheses, Structures, and Properties of Three Novel Coordination Polymers of Silver(I) Aromatic Carboxylates with Hexamethylenetetramine Exhibiting Unique Metal−π Interaction","Organometallics","2001","20","25","5319","","10.1021/om010601e","","","0.71073","MoKα","","0.0366","0.0309","","","0.0746","0.0775","","","","","","1.036","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077760","19.788","0.004","16.897","0.003","17.302","0.004","90","","106.37","0.03","90","","5551","2","292","2","292","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C55.5 H52 Cl4 O2 P4 Pt Ru -","- C55.5 H52 Cl4 O2 P4 Pt Ru -","- C222 H208 Cl16 O8 P16 Pt4 Ru4 -","4","1","","Sterenberg, Brian T.; Jennings, Michael C.; Puddephatt, Richard J.","Complexes with Platinum−Ruthenium Bonds: The Stepwise Formation of Complexes Containing PtRu and PtRu2Units","Organometallics","1999","18","11","2162","","10.1021/om990032z","","","0.71073","MoKα","","0.0526","0.0497","","","0.1384","0.1426","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077842","24.237","0.003","12.4207","0.0017","9.0234","0.0012","90","","105.478","0.007","90","","2617.9","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H15 B10 Co F14 -","- C21 H15 B10 Co F14 -","- C84 H60 B40 Co4 F56 -","4","1","","Ward, Jas S.; Tricas, Hugo; Scott, Greig; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Facile Isomerization and Unprecedented Decarbonation of Metallacarboranes with Fluorinated Aryl Substituents","Organometallics","2012","31","7","2523","","10.1021/om200691z","","","0.71073","MoKα","","0.0532","0.0376","","","0.0603","0.0645","","","","","","1.022","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077873","24.414","0.007","14.365","0.004","23.771","0.011","90","","114.537","0.004","90","","7584","5","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C76 H108 K2 O21 Zn -","- C76 H108 K2 O21 Zn -","- C304 H432 K8 O84 Zn4 -","4","1","","Gao, Jing; Li, Shaoguang; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Reactions of α-Diimine-Stabilized Zn‒Zn-Bonded Compounds with Phenylacetylene","Organometallics","2012","31","8","2978","","10.1021/om200868j","","","0.71073","MoKα","","0.068","0.0511","","","0.1162","0.1271","","","","","","1.047","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4078030","26.936","0.002","14.505","0.0009","26.8422","0.0019","90","","98.819","0.004","90","","10363.4","1.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C112 B K O20 P4 Rh -","- C112 B K O20 P4 Rh -","- C448 B4 K4 O80 P16 Rh4 -","4","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction","Organometallics","2012","31","8","3155","","10.1021/om3000423","","","0.7107","MoKα","","0.171","0.164","","","0.4275","0.436","","","","","","1.954","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078707","8.163","0.015","17.29","0.04","12.29","0.03","90","","91.418","0.014","90","","1734","7","153","","153","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H27 N3 Ni S2 -","- C13 H27 N3 Ni S2 -","- C52 H108 N12 Ni4 S8 -","4","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.077","","","","0.2237","","","","","","0.958","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078736","23.0836","0.0003","9.2876","0.0001","18.8179","0.0002","90","","95.94","0.001","90","","4012.73","0.08","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[Pd(dppe)(H2O)2](OTs)2","","- C40 H42 O8 P2 Pd S2 -","- C40 H42 O8 P2 Pd S2 -","- C160 H168 O32 P8 Pd4 S8 -","4","1","","Oberhauser, Werner; Ienco, Andrea; Vizza, Francesco; Trettenbrein, Barbara; Oberhuber, Dennis; Strabler, Christof; Ortner, Teresa; Brüggeller, Peter","Regioselective Hydromethoxycarbonylation of Terminal Alkynes Catalyzed by Palladium(II)‒Tetraphos Complexes","Organometallics","2012","31","13","4832","","10.1021/om3003812","","","0.71073","MoKα","","0.0239","0.0226","","","0.0534","0.0541","","","","","","1.048","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078818","18.834","0.005","10.813","0.003","25.316","0.007","90","","99.2664","0.0011","90","","5088","2","113.1","","113.1","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C61 H59 N P4 W -","- C61 H59 N P4 W -","- C244 H236 N4 P16 W4 -","4","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Tungsten(II) Alkylimido Complexes from Insertion of Nitriles into Tungsten Hydride: Alkylideneamido Intermediate Stage and Nitrene Group Transfer to Isocyanide","Organometallics","2012","31","14","4933","","10.1021/om3004338","","","0.7107","MoKα","","","0.0215","","","","0.0442","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079108","13.521","0.006","21.92","0.009","7.978","0.003","90","","103.597","0.007","90","","2298.3","1.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H30 Cl N2 O Rh -","- C26 H30 Cl N2 O Rh -","- C104 H120 Cl4 N8 O4 Rh4 -","4","1","","Peñafiel, Itziar; Pastor, Isidro M.; Yus, Miguel; Esteruelas, Miguel A.; Oliván, Montserrat","Preparation, Hydrogen Bonds, and Catalytic Activity in Metal-Promoted Addition of Arylboronic Acids to Enones of a Rhodium Complex Containing an NHC Ligand with an Alcohol Function","Organometallics","2012","31","17","6154","","10.1021/om300498e","","","0.71073","MoKα","","0.1045","0.0564","","","0.093","0.1037","","","","","","0.856","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079242","18.656","0.002","17.8341","0.0019","16.6525","0.0017","90","","93.02","0.002","90","","5532.8","1","147","2","147","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H72 F6 P4 Ru -","- C60 H72 F6 P4 Ru -","- C240 H288 F24 P16 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Flexible Syntheses of Tripodal Phosphine Ligands 1,1,2-Tris(diarylphosphino)ethane and Their Ruthenium η5-C5Me5Complexes","Organometallics","2012","31","18","6589","","10.1021/om3005959","","","0.71073","MoKα","","0.0335","0.0296","","","0.0629","0.0651","","","","","","1.024","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079492","14.921","0.002","15.088","0.002","26.873","0.004","90","","94.579","0.003","90","","6030.6","1.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H32 Ge Mo N2 O3 Si2 -","- C27 H32 Ge Mo N2 O3 Si2 -","- C216 H256 Ge8 Mo8 N16 O24 Si16 -","8","2","","Leung, Wing-Por; Chiu, Wang-Kin; Mak, Thomas C. W.","Synthesis and Structural Characterization of Metallogermylenes, Cp-Substituted Germylene, and a Germanium(II)-Borane Adduct from Pyridyl-1-azaallyl Germanium(II) Chloride","Organometallics","2012","31","19","6966","","10.1021/om3007739","","","0.71073","MoKα","","0.0422","0.033","","","0.0774","0.0831","","","","","","0.99","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079597","23.6688","0.0008","11.2177","0.0003","22.725","0.0011","90","","114.363","0.001","90","","5496.4","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C44 H65 Ag2 F6 N9 O6 P2 S2 -","- C44 H65 Ag2 F6 N9 O6 P2 S2 -","- C176 H260 Ag8 F24 N36 O24 P8 S8 -","4","1","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Zarudnitskii, Evgeniy V.; Hurieva, Anastasiya N.; Kirilchuk, Andrey A.; Yurchenko, Aleksandr A.; Biffis, Andrea; Kostyuk, Aleksandr N.","Stable N-Phosphorylated 1,2,4-Triazol-5-ylidenes: Novel Ligands for Metal Complexes","Organometallics","2012","31","23","8257","","10.1021/om300872g","","","0.71073","MoKα","","0.0602","0.0468","","","0.0959","0.1032","","","","","","1.019","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079624","11.7396","0.0015","14.8313","0.0019","16.241","0.002","90","","92.386","0.001","90","","2825.3","0.6","193","2","193","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H35 Au F6 O P Sb -","- C25 H35 Au F6 O P Sb -","- C100 H140 Au4 F24 O4 P4 Sb4 -","4","1","","Zhu, Yuyang; Day, Cynthia S.; Jones, Amanda C.","Synthesis and Structure of Cationic Phosphine Gold(I) Enol Ether Complexes","Organometallics","2012","31","21","7332","","10.1021/om300893q","","","0.71073","MoKα","","0.0429","0.0359","","","0.077","0.0812","","","","","","0.873","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079834","10.7469","0.0005","17.2476","0.0011","19.5632","0.001","90","","91.103","0.004","90","","3625.5","0.3","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H56 Ga K Si4 -","- C28 H56 Ga K Si4 -","- C112 H224 Ga4 K4 Si16 -","4","1","","Armstrong, David R.; Brammer, Elanor; Cadenbach, Thomas; Hevia, Eva; Kennedy, Alan R.","Co-complexation Syntheses, Structural Characterization, and DFT Studies of a Novel Series of Polymeric Alkali-Metal Tetraorganogallates","Organometallics","2013","32","2","480","","10.1021/om3009469","","","0.71073","MoKα","","0.0885","0.0659","","","0.1414","0.1582","","","","","","1.011","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079890","14.032","0.004","19.217","0.006","16.592","0.005","90","","101.547","0.005","90","","4384","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","corannulene-bis(bis(bis(2-methoxyethyl) ether)-lithium))","","- C44 H66 Li2 O12 -","- C44 H66 Li2 O12 -","- C176 H264 Li8 O48 -","4","1","","Spisak, Sarah N.; Zabula, Alexander V.; Ferguson, Michael V.; Filatov, Alexander S.; Petrukhina, Marina A.","“Naked” Mono- and Dianions of Corannulene with Lithium Counterions","Organometallics","2013","32","2","538","","10.1021/om300998p","","","0.71073","Mo-Kα","","0.0972","0.0553","","","0.0812","0.0925","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079935","22.1752","0.001","8.6798","0.0004","15.6483","0.0007","90","","104.319","0.001","90","","2918.4","0.2","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H30 Mo N2 O3 P2 -","- C32 H24 Mo N2 O3 P2 -","- C128 H96 Mo4 N8 O12 P8 -","4","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0239","0.022","","","0.0523","0.053","","","","","","1.067","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4080026","19.757","0.0003","16.5592","0.0002","14.7772","0.0002","90","","127.331","0.001","90","","3844.14","0.1","153","2","153","2","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C30 H42 B Cl F3 N8 O7 P S W -","- C30 H42 B Cl F3 N8 O7 P S W -","- C120 H168 B4 Cl4 F12 N32 O28 P4 S4 W4 -","4","1","","Pienkos, Jared A.; Zottig, Victor E.; Iovan, Diana A.; Li, Mengxun; Harrison, Daniel P.; Sabat, Michal; Salomon, Rebecca J.; Strausberg, Laura; Teran, Victor A.; Myers, William H.; Harman, W. Dean","Friedel‒Crafts Ring-Coupling Reactions Promoted by Tungsten Dearomatization Agent","Organometallics","2013","32","2","691","","10.1021/om3012008","","","0.71073","MoKα","","0.0212","0.0204","","","0.0583","0.0597","","","","","","1.022","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080279","17.2522","0.0015","20.797","0.0018","8.4068","0.0007","90","","93.279","0.001","90","","3011.4","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H45 Ho O3 -","- C33 H45 Ho O3 -","- C132 H180 Ho4 O12 -","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","","0.015","0.0142","","","0.0319","0.0322","","","","","","0.835","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080285","17.222","0.007","20.689","0.008","8.479","0.003","90","","92.871","0.004","90","","3017","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H45 Gd O3 -","- C33 H45 Gd O3 -","- C132 H180 Gd4 O12 -","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","","0.017","0.0157","","","0.0342","0.0347","","","","","","0.972","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080286","17.261","0.008","20.805","0.009","8.402","0.004","90","","93.365","0.005","90","","3012","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H45 Er O3 -","- C33 H45 Er O3 -","- C132 H180 Er4 O12 -","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","","0.0224","0.0191","","","0.036","0.037","","","","","","0.909","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080326","13.1023","0.0004","11.437","0.0004","13.0783","0.0004","90","","96.882","0.002","90","","1945.68","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","Sun, Wen-Hua; Xing, Qifeng; Yu, Jiangang; Novikova, Elena; Zhao, Weizhen; Tang, Xiubo; Liang, Tongling; Redshaw, Carl","Probing the Characteristics of Mono- or Bimetallic (Iron or Cobalt) Complexes Bearing 2,4-Bis(6-iminopyridin-2-yl)-3H-benzazepines: Synthesis, Characterization, and Ethylene Reactivity","Organometallics","2013","32","8","2309","","10.1021/om301086p","","","0.71073","MoKα","","","0.0378","","","0.091","0.0969","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080438","17.1273","0.0007","20.6239","0.0009","8.1996","0.0003","90","","91.595","0.002","90","","2895.2","0.2","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H45 Cr O3 -","- C33 H45 Cr O3 -","- C132 H180 Cr4 O12 -","4","1","","Danopoulos, Andreas A.; Monakhov, Kirill Yu.; Robert, Vincent; Braunstein, Pierre; Pattacini, Roberto; Conde-Guadaño, Susana; Hanton, Martin; Tooze, Robert P.","Angular Distortions at Benzylic Carbons Due to Intramolecular Polarization-Induced Metal‒Arene Interactions: A Case Study with Open-Shell Chromium(II) NHC Complexes","Organometallics","2013","32","6","1842","","10.1021/om3012568","","","0.71073","MoKα","","0.1317","0.0779","","","0.1558","0.1818","","","","","","1.126","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080445","18.633","0.002","9.1527","0.0011","16.88","0.002","90","","115.545","0.002","90","","2597.3","0.5","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H39 B F4 Fe2 -","- C27 H39 B F4 Fe2 -","- C108 H156 B4 F16 Fe8 -","4","1","","Ghag, Sonam K.; Tarlton, Michael L.; Henle, Ernst A.; Ochoa, Elizabeth M.; Watson, Alex W.; Zakharov, Lev N.; Watson, Eric J.","Synthesis and Structures of Triple-Decker Complexes with a Bridging Tetramethylcyclopentadienyl Ligand","Organometallics","2013","32","6","1851","","10.1021/om301258s","","","0.71073","MoKα","","0.028","0.0273","","","0.0712","0.0718","","","","","","1.065","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080555","16.8528","0.0006","16.931","0.0006","23.3849","0.0009","90","","97.456","0.002","90","","6616.1","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C304 H304 N48 O16 -","16","4","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","","1.54178","CuKα","","0.059","0.0586","","","0.1505","0.1507","","","","","","1.139","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080603","11.4018","0.0001","17.311","0.0002","18.7984","0.0003","90","","101.123","0.001","90","","3640.67","0.08","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[K(2,2,2-crypt)][As3C2Ph2]","","- C32 H46 As3 K N2 O6 -","- C32 H46 As3 K N2 O6 -","- C128 H184 As12 K4 N8 O24 -","4","1","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","0.71073","MoKα","","0.039","0.0363","","","0.0888","0.0912","","","","","","1.037","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080688","12.8167","0.0006","24.1586","0.0012","22.4787","0.0011","90","","94.701","0.001","90","","6936.7","0.6","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H40 N2 P2 Pb2 S2 -","- C32 H40 N2 P2 Pb2 S2 -","- C256 H320 N16 P16 Pb16 S16 -","8","2","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.0274","0.023","","","0.0489","0.0507","","","","","","0.98","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080689","12.7235","0.0012","24.007","0.002","22.492","0.002","90","","94.649","0.001","90","","6847.6","1.1","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H40 N2 P2 S2 Sn2 -","- C32 H40 N2 P2 S2 Sn2 -","- C256 H320 N16 P16 S16 Sn16 -","8","2","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.0378","0.0343","","","0.0868","0.0887","","","","","","1.042","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080789","24.428","0.006","10.52","0.002","19.509","0.004","90","","114.327","0.003","90","","4568.3","1.7","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C44 H64 B F3 N2 O5 Os S -","- C44 H64 B F3 N2 O5 Os S -","- C176 H256 B4 F12 N8 O20 Os4 S4 -","4","1","","Buil, Mar\?ía L.; Esteruelas, Miguel A.; Fernández, Israel; Izquierdo, Susana; Oñate, Enrique","Cationic Dihydride Boryl and Dihydride Silyl Osmium(IV) NHC Complexes: A Marked Diagonal Relationship","Organometallics","2013","32","9","2744","","10.1021/om400188z","","","0.71073","MoKα","","0.0565","0.0445","","","0.0982","0.104","","","","","","1.028","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080790","22.892","0.006","12.206","0.003","20.32","0.005","90","","111.161","0.004","90","","5295","2","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C56 H67 F3 N2 O3 Os S Si -","- C56 H67 F3 N2 O3 Os S Si -","- C224 H268 F12 N8 O12 Os4 S4 Si4 -","4","1","","Buil, Mar\?ía L.; Esteruelas, Miguel A.; Fernández, Israel; Izquierdo, Susana; Oñate, Enrique","Cationic Dihydride Boryl and Dihydride Silyl Osmium(IV) NHC Complexes: A Marked Diagonal Relationship","Organometallics","2013","32","9","2744","","10.1021/om400188z","","","0.71073","MoKα","","0.0692","0.0673","","","0.1676","0.1687","","","","","","1.249","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080928","19.74","0.008","8.213","0.003","20.445","0.011","90","","118.73","0.004","90","","2907","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","coronene-(18-crown-6-ether)-rubidium)","","- C36 H36 O6 Rb -","- C36 H36 O6 Rb -","- C144 H144 O24 Rb4 -","4","1","","Spisak, Sarah N.; Sumner, Natalie J.; Zabula, Alexander V.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Tuning Binding of Rubidium Ions to Planar and Curved Negatively Charged π Surfaces","Organometallics","2013","32","14","3773","","10.1021/om4001617","","","0.71073","Mo-Kα","","0.1219","0.0953","","","0.2258","0.2392","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081041","6.47519","0.00014","32.4129","0.0006","9.884","0.0003","90","","107.006","0.003","90","","1983.74","0.09","110","","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H28 Cl2 O P2 Ru -","- C15 H28 Cl2 O P2 Ru -","- C60 H112 Cl8 O4 P8 Ru4 -","4","1","","Knapp, Spring Melody M.; Sherbow, Tobias J.; Yelle, Robert B.; Juliette, J. Jerrick; Tyler, David R.","Catalytic Nitrile Hydration with [Ru(η6-p-cymene)Cl2(PR2R′)] Complexes: Secondary Coordination Sphere Effects with Phosphine Oxide and Phosphinite Ligands","Organometallics","2013","32","13","3744","","10.1021/om400380j","","x-ray","0.7107","MoKα","","0.0295","0.0285","","0.0678","0.0667","0.0678","","","","","","1.0103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081147","16.027","0.013","16.749","0.013","19.181","0.015","90","","105.491","0.002","90","","4962","7","233","2","233","2","","","","","","","","7","C 1 c 1","C -2yc","9","[(Fc-NHC)2Ir(CO)2][Ir(CO2)Cl2]","","","- C50 H48 Cl2 Fe2 Ir2 N4 O4 -","- C50 H48 Cl2 Fe2 Ir2 N4 O4 -","- C200 H192 Cl8 Fe8 Ir8 N16 O16 -","4","1","","Arumugam, Kuppuswamy; Chang, Jinho; Lynch, Vincent M.; Bielawski, Christopher W.","Cationic Iridium Complexes Containing Anionic Iridium Counterions Supported by Redox-Active N-Heterocyclic Carbenes","Organometallics","2013","32","15","4334","","10.1021/om4004829","","","0.71069","MoKα","","0.0445","0.0389","","","0.0824","0.085","","","","","","1.048","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081174","7.665","0.002","15.556","0.004","14.245","0.004","90","","99.36","0.004","90","","1675.9","0.8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H24 N2 Ru -","- C19 H24 N2 Ru -","- C76 H96 N8 Ru4 -","4","1","","Li, Junfei; Kuai, Wenying; Liu, Weiping; Zheng, Wenjun","A Sandwich Zwitterionic Ruthenium Complex Bearing a Cyanamido Group","Organometallics","2013","32","15","4050","","10.1021/om400547r","","","0.71073","MoKα","","0.0168","0.0161","","","0.0359","0.0362","","","","","","1.271","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081254","18.3347","0.0007","10.2468","0.0003","16.7982","0.0006","90","","103.437","0.001","90","","3069.52","0.18","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","cyclopentadienylcobalt[3,4-diphenyl-1,2-bis(phenyldimethylsilyl)- cyclobutadiene]chromium","2(eta5)-cyclopentadienyl-{mu-3,4-diphenyl-1,2-bis{dimethyl[phenyl- 1(eta6)]silyl}-cyclobutadiene-2(eta4)}-chromium(0)-cobalt(I)","","- C37 H37 Co Cr Si2 -","- C37 H37 Co Cr Si2 -","- C148 H148 Co4 Cr4 Si8 -","4","1","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands","Organometallics","2013","32","16","4531","","10.1021/om400378s","","","0.71073","MoKα","","0.0336","0.0292","","","0.0615","0.0634","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081289","22.628","0.007","4.867","0.001","13.95","0.004","90","","98.795","0.003","90","","1518.3","0.7","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H11 F3 N2 O2 Pd -","- C15 H11 F3 N2 O2 Pd -","- C60 H44 F12 N8 O8 Pd4 -","4","1","","Dudkina, Yulia B.; Mikhaylov, Dmitry Y.; Gryaznova, Tatyana V.; Tufatullin, Artem I.; Kataeva, Olga N.; Vicic, David A.; Budnikova, Yulia H.","Electrochemical Ortho Functionalization of 2-Phenylpyridine with Perfluorocarboxylic Acids Catalyzed by Palladium in Higher Oxidation States","Organometallics","2013","32","17","4785","","10.1021/om400492g","","","0.71073","MoKα","","0.059","0.0581","","","0.1518","0.1529","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081514","24.181","0.005","15.108","0.005","27.62","0.005","90","0.005","95.179","0.005","90","0.005","10049","4","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C55 H50 B Cu F4 Fe N6 O P2 -","- C55 H50.5 B Cu F4 Fe N6 O P2 -","- C440 H404 B8 Cu8 F32 Fe8 N48 O8 P16 -","8","2","","Schweinfurth, David; Büttner, Nadin; Hohloch, Stephan; Deibel, Naina; Klein, Johannes; Sarkar, Biprajit","Heterobimetallic Cu‒dppf (dppf = 1,1′-Bis(diphenylphosphino)ferrocene) Complexes with “Click” Derived Ligands: A Combined Structural, Electrochemical, Spectroelectrochemical, and Theoretical Study","Organometallics","2013","32","20","5834","","10.1021/om400429f","","","0.71069","MoKα","","0.047","0.0407","","","0.1009","0.1055","","","","","","1.009","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081596","17.537","0.0003","13.329","0.0003","16.31","0.0005","90","0.0013","102.558","0.0016","90","0.0017","3721.27","0.16","123","2","123","2","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C29 H33 As Cl2 F6 I N2 P2 Sb Si -","- C29 H33 As Cl2 F6 I N2 P2 Sb Si -","- C116 H132 As4 Cl8 F24 I4 N8 P8 Sb4 Si4 -","4","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.04","0.0368","","","0.0797","0.0819","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081631","13.5888","0.0004","36.4517","0.0011","15.9896","0.0004","90","","110.568","0.002","90","","7415.3","0.4","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","complex_11B_hydride","","","- C36 H63 Si2 U -","- C36 H63 Si2 U -","- C288 H504 Si16 U8 -","8","2","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0606","0.0457","","","0.0867","0.0929","","","","","","1.047","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081675","23.0407","0.0012","13.1043","0.0007","21.4908","0.0011","90","","114.098","0.001","90","","5923.3","0.5","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H83 Lu N4 P2 Si -","- C64 H83 Lu N4 P2 Si -","- C256 H332 Lu4 N16 P8 Si4 -","4","1","","Rong, Weifeng; Cheng, Jianhua; Mou, Zehuai; Xie, Hongyan; Cui, Dongmei","Facile Preparation of a Scandium Terminal Imido Complex Supported by a Phosphazene Ligand","Organometallics","2013","32","19","5523","","10.1021/om400803q","","","0.71073","MoKα","","0.0313","0.0284","","","0.0571","0.0583","","","","","","0.987","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081729","12.9384","0.0005","29.4375","0.0011","18.4497","0.0007","90","","101.776","0.003","90","","6879.1","0.5","153","2","153","1","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C61 H84 Cl3 F3 N4 O4.5 P2 S -","- C61 H84 Cl3 F3 N4 O4.5 P2 S -","- C244 H336 Cl12 F12 N16 O18 P8 S4 -","4","1","","Henne, Florian D.; Schnöckelborg, Eva-Maria; Feldmann, Kai-Oliver; Grunenberg, Jörg; Wolf, Robert; Weigand, Jan J.","Observation of a Chloride-Bridged P‒P Bond in the Phosphorus Cation [L(Cl)P(μ-Cl)P(Cl)L]+(L = NHC)","Organometallics","2013","32","22","6674","","10.1021/om4002268","","","1.54178","CuKα","","0.061","0.0591","","","0.1579","0.1614","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081771","12.05","0.004","23.034","0.007","14.375","0.005","90","","112.675","0.007","90","","3682","2","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H57 Cl N2 Ni -","- C40 H57 Cl N2 Ni -","- C160 H228 Cl4 N8 Ni4 -","4","1","","Martin, Anthony R.; Makida, Yusuke; Meiries, Sébastien; Slawin, Alexandra M. Z.; Nolan, Steven P.","Enhanced Activity of [Ni(NHC)CpCl] Complexes in Arylamination Catalysis","Organometallics","2013","32","21","6265","","10.1021/om4004863","","","0.71075","MoKα","","","0.0585","","","","0.1199","","","","","","0.979","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081785","13.4034","0.0006","13.6003","0.0006","21.6148","0.001","90","","93.887","0.002","90","","3931.1","0.3","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H32 B2 Cl10 N2 -","- C35 H32 B2 Cl10 N2 -","- C140 H128 B8 Cl40 N8 -","4","1","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0512","0.041","","","0.0902","0.1162","","","","","","1.084","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081827","21.6102","0.0014","19.7073","0.0012","30.494","0.0018","90","","101.515","0.002","90","","12725.4","1.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C40 H41 B Si -","- C40 H41 B Si -","- C640 H656 B16 Si16 -","16","4","","Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kupfer, Thomas; Wahler, Johannes","Si‒H Bond Activation at the Boron Center of Pentaphenylborole","Organometallics","2013","32","22","6800","","10.1021/om4005934","","","0.71073","MoKα","","0.0529","0.0482","","","0.1326","0.1388","","","","","","1.049","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081848","19.684","0.001","13.6657","0.0007","19.9586","0.001","90","","94.708","0.002","90","","5350.7","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C67 H66 Al O5 P -","- C67 H66 Al O5 P -","- C268 H264 Al4 O20 P4 -","4","1","","Wehmschulte, Rudolf J.; Saleh, Mahmoud; Powell, Douglas R.","CO2Activation with Bulky Neutral and Cationic Phenoxyalanes","Organometallics","2013","32","22","6812","","10.1021/om400628z","","","0.71073","MoKα","","0.0472","0.0414","","","0.1043","0.1089","","","","","","0.996","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4081929","13.489","0.003","14.09","0.003","12.095","0.002","90","","114.75","0.03","90","","2087.6","0.9","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H23 F5 Ni P2 -","- C17 H23 F5 Ni P2 -","- C68 H92 F20 Ni4 P8 -","4","1","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0405","0.0291","","","0.0736","0.0803","","","","","","1.041","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081936","11.4568","0.0005","16.5725","0.0006","9.8299","0.0004","90","","91.79","0.004","90","","1865.47","0.13","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H23 N3 O3 Pt -","- C18 H23 N3 O3 Pt -","- C72 H92 N12 O12 Pt4 -","4","1","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0238","0.0212","","","0.0481","0.0485","","","","","","1.015","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082009","18.27","0.002","30.639","0.004","13.5899","0.0017","90","","114.266","0.007","90","","6935.2","1.5","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C57.5 H74 Al2 Cl3 Cr N P2 -","- C57.5 H74 Al2 Cl3 Cr N P2 -","- C230 H296 Al8 Cl12 Cr4 N4 P8 -","4","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.093","0.062","","","0.1588","0.18","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082095","20.649","0.006","13.028","0.004","19.168","0.006","90","","113.175","0.004","90","","4740","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H70 N5 Sc -","- C52 H70 N5 Sc -","- C208 H280 N20 Sc4 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1075","0.062","","","0.123","0.1416","","","","","","1.003","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082096","21.0802","0.0016","13.0856","0.001","19.098","0.002","90","","113.543","0.001","90","","4829.6","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H70 Lu N5 -","- C52 H70 Lu N5 -","- C208 H280 Lu4 N20 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0391","0.03","","","0.0566","0.0598","","","","","","0.916","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082117","14.7468","0.0003","13.1741","0.0003","19.0329","0.0004","90","","107.073","0.001","90","","3534.68","0.13","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H42 Hf N P -","- C43 H42 Hf N P -","- C172 H168 Hf4 N4 P4 -","4","1","","Jun, Sung Hae; Park, Ji Hae; Lee, Chun Sun; Park, Seong Yeon; Go, Min Jeong; Lee, Junseong; Lee, Bun Yeoul","Preparation of Phosphine-Amido Hafnium and Zirconium Complexes for Olefin Polymerization","Organometallics","2013","32","24","7357","","10.1021/om400899g","","","0.71073","MoKα","","0.0257","0.0231","","","0.0472","0.048","","","","","","0.997","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082118","15.0515","0.0004","13.2544","0.0004","19.1998","0.0005","90","","107.255","0.002","90","","3657.95","0.18","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H42 N P Zr -","- C43 H42 N P Zr -","- C172 H168 N4 P4 Zr4 -","4","1","","Jun, Sung Hae; Park, Ji Hae; Lee, Chun Sun; Park, Seong Yeon; Go, Min Jeong; Lee, Junseong; Lee, Bun Yeoul","Preparation of Phosphine-Amido Hafnium and Zirconium Complexes for Olefin Polymerization","Organometallics","2013","32","24","7357","","10.1021/om400899g","","","0.71073","MoKα","","0.0481","0.0341","","","0.0743","0.0852","","","","","","1.063","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082147","19.3","0.003","7.7161","0.001","12.3941","0.0017","90","","113.586","0.006","90","","1691.5","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H25 B N2 Si -","- C16 H25 B N2 Si -","- C64 H100 B4 N8 Si4 -","4","1","","Boussonnière, Anne; Pan, Xiangcheng; Geib, Steven J.; Curran, Dennis P.","Borenium-Catalyzed Hydroborations of Silyl-Substituted Alkenes and Alkynes with a Readily Available N-Heterocyclic Carbene‒Borane","Organometallics","2013","32","24","7445","","10.1021/om400932g","","","1.54178","CuKα","","0.1302","0.0362","","","0.1052","0.1637","","","","","","1.709","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082410","18.965","0.004","7.5657","0.0015","12.841","0.003","90","","110.62","0.03","90","","1724.4","0.7","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","CpRu(Tpmd)AuCl","","- C15 H14 Au Cl N6 Ru -","- C15 H14 Au Cl N6 Ru -","- C60 H56 Au4 Cl4 N24 Ru4 -","4","1","","González-Gallardo, Sandra; Kuzu, Istemi; Oña-Burgos, Pascual; Wolfer, Tanja; Wang, Cong; Klinkhammer, Karl W.; Klopper, Wim; Bräse, Stefan; Breher, Frank","Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands","Organometallics","2014","33","4","941","","10.1021/om4010498","","","0.71073","MoKα","","0.0235","0.0185","","","0.0378","0.0388","","","","","","0.935","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082528","25.579","0.0009","8.9542","0.0003","20.3594","0.0008","90","","110.692","0.002","90","","4362.3","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","LBiCl","","","- C49 H54 Bi Cl N2 P2 -","- C49 H54 Bi Cl N2 P2 -","- C196 H216 Bi4 Cl4 N8 P8 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas; Wesemann, Lars","Heavy Group 15 Element Compounds of a Sterically Demanding Bis(iminophosphorane)methanide and -methanediide","Organometallics","2014","33","1","322","","10.1021/om401059x","","","0.71073","MoKα","","0.0139","0.0131","","","0.0311","0.0313","","","","","","1.03","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082618","24.808","0.003","7.8191","0.0011","11.2324","0.0015","90","","114.943","0.002","90","","1975.6","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H22 Br2 N2 Pt S -","- C19 H22 Br2 N2 Pt S -","- C76 H88 Br8 N8 Pt4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Platinum(II) Complexes with Thioether-Functionalized Benzimidazolin-2-ylidene Ligands: Synthesis, Structural Characterization, and Application in Hydroelementation Reactions","Organometallics","2014","33","1","172","","10.1021/om400929t","","","0.71073","MoKα","","0.0345","0.0331","","","0.0787","0.0794","","","","","","1.033","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082706","15.038","0.003","11.54","0.002","16.353","0.004","90","","117.039","0.003","90","","2527.7","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H28 Br2 N2 Pd S -","- C26 H28 Br2 N2 Pd S -","- C104 H112 Br8 N8 Pd4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.0427","0.0331","","","0.0643","0.0696","","","","","","0.985","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082720","14.9939","0.0004","16.1618","0.0004","8.5482","0.0002","90","","97.61","0.002","90","","2053.23","0.09","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H32 N2 O -","- C22 H32 N2 O -","- C88 H128 N8 O4 -","4","1","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.0428","0.0403","","","0.0912","0.0937","","","","","","1.102","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082758","19.4122","0.0008","15.1788","0.0006","17.5342","0.0007","90","","109.355","0.002","90","","4874.5","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H43 B F20 Ge2 -","- C50 H43 B F20 Ge2 -","- C200 H172 B4 F80 Ge8 -","4","1","","Kordts, Natalie; Borner, Corinna; Panisch, Robin; Saak, Wolfgang; Müller, Thomas","Hydrogen-Bridged Digermyl and Germylsilyl Cations","Organometallics","2014","33","6","1492","","10.1021/om500154n","","","0.71073","MoKα","","0.0399","0.0322","","","0.0774","0.0804","","","","","","1.03","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4083166","9.874","0.0003","15.0213","0.0007","24.2524","0.001","90","","90.662","0.003","90","","3596.9","0.2","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H31 Cl6 N Ni P2 S -","- C33 H31 Cl6 N Ni P2 S -","- C132 H124 Cl24 N4 Ni4 P8 S4 -","4","1","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","x-ray","0.71073","MoKα","","0.09","0.0515","","","0.1164","0.1415","","","","","","1.078","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083175","17.219","0.006","18.132","0.006","17.212","0.006","90","","107.492","0.004","90","","5125","3","113","","113","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C46 H60 B Cl2 F4 Ge3 P3 Pt3 -","- C46 H59 B Cl2 F4 Ge3 P3 Pt3 -","- C184 H236 B4 Cl8 F16 Ge12 P12 Pt12 -","4","1","","Tanaka, Kimiya; Tanabe, Makoto; Ide, Tomohito; Osakada, Kohtaro","Cationic Hydridotriplatinum Complex with Bridging Germylene Ligands","Organometallics","2014","33","10","2608","","10.1021/om500309k","","","0.7107","MoKα","","0.0622","0.0468","","","0.1125","0.1274","","","","","","1.022","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083319","24.126","0.005","26.246","0.005","15.483","0.003","90","","104.28","0.03","90","","9501","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H18 N3 O4 Re -","- C27 H17.75 N3 O4 Re -","- C432 H284 N48 O64 Re16 -","16","4","","Ju, Chuan-Chuan; Zhang, An-Guo; Sun, Hao-Ling; Wang, Ke-Zhi; Jiang, Wei-Li; Bian, Zu-Qiang; Huang, Chun-Hui","Synthesis, Crystal Structure, and Optical and Photoelectrochemical Properties of a N∩O− Rhenium(I) Complex","Organometallics","2011","30","4","712","716","10.1021/om100311b","","","0.71073","MoKα","","0.0592","0.0194","","","0.0438","0.0568","","","","","","0.948","","","","has coordinates","209980","2020-10-21","18:00:00",""
"4083374","11.279","0.005","17.485","0.005","20.611","0.007","90","","92.57","0.02","90","","4061","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H12 Cl13 D13 N4 Pd2 -","- C29 H12 Cl13 D13 N4 Pd2 -","- C116 H48 Cl52 D52 N16 Pd8 -","4","1","","Albert, Joan; Bosque, Ramon; Cadena, Magali; D’Andrea, Lucía; Granell, Jaume; González, Asensio; Quirante, Josefina; Calvis, Carmen; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardia, Mercè","A New Family of Doubly Cyclopalladated Diimines. A Remarkable Effect of the Linker between the Metalated Units on Their Cytotoxicity","Organometallics","2014","33","11","2862","","10.1021/om500382f","","","0.71073","MoKα","","0.0365","0.0339","","","0.0905","0.0916","","","","","","1.089","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083594","17.23","0.002","24.499","0.002","13.4327","0.0015","90","","95.692","0.006","90","","5642.2","1","202","2","202","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C14 H19 F6 N4 O P Pd -","- C14 H16.6667 F6 N4 O P Pd -","- C168 H200 F72 N48 O12 P12 Pd12 -","12","3","","Gupta, Suraj K.; Ghorai, Debasish; Choudhury, Joyanta","A New Type of Palladium-Pincer Complexes Generated via Hydrolytic Ring-Opening of Imidazole-2-ylidenes","Organometallics","2014","33","12","3215","","10.1021/om500362x","","","0.71073","MoKα","","0.0757","0.0604","","","0.146","0.1594","","","","","","1.058","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083651","11.1385","0.0006","22.2343","0.0011","17.2163","0.0008","90","","93.876","0.003","90","","4254","0.4","173","2","173","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C48 H53 Al N4 P2 -","- C48 H53 Al N4 P2 -","- C192 H212 Al4 N16 P8 -","4","1","","Ahmed, Shabana A.; Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.; St John, Oliver","DACH-Bridged (DACH =trans-1,2-Diaminocyclohexane) Bis(iminophosphonamide) Derivatives of Groups 3 and 13 and Their Use in the Enantiomorphic Polymerization of Methyl Methacrylate","Organometallics","2007","26","3","538","","10.1021/om060860+","","x-ray","0.71073","MoKα","","0.0893","0.0558","","","0.1038","0.1182","","","","","","1.01","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083655","12.3506","0.0019","23.052","0.004","12.2362","0.0019","90","","94.344","0.002","90","","3473.7","1","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H37 B F10 N P -","- C36 H37 B F10 N P -","- C144 H148 B4 F40 N4 P4 -","4","1","","Alhomaidan, Osamah; Hollink, Emily; Stephan, Douglas W.","Main Group Heterocycles from Lithiated Phosphinimines","Organometallics","2007","26","12","3041","","10.1021/om070154o","","","0.71073","MoKα","","0.0679","0.0512","","","0.1344","0.149","","","","","","1.018","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083778","18.043","0.0009","11.9746","0.0006","16.6649","0.0009","90","","94.1444","0.0015","90","","3591.2","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H50 B2 Cl2 Fe N8 -","- C28 H50 B2 Cl2 Fe N8 -","- C112 H200 B8 Cl8 Fe4 N32 -","4","1","","Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.","Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand","Organometallics","2014","33","20","5654","","10.1021/om500417y","","","0.71073","MoKα","","0.0273","0.0258","","","0.0624","0.0631","","","","","","1.003","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083885","25.8318","0.0018","12.4514","0.0008","17.8248","0.0014","90","","91.6577","0.0017","90","","5730.8","0.7","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69.75 H57.5 Au Cl2.5 N2 Se -","- C69.75 H57.5 Au Cl2.5 N2 Se -","- C279 H230 Au4 Cl10 N8 Se4 -","4","1","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0222","","","","0.0539","","","","","","1.013","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083927","19.161","0.003","10.5861","0.0018","21.331","0.004","90","","111.093","0.003","90","","4036.9","1.2","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H37 Cl3 O3 P2 Ru S -","- C44 H37 Cl3 O3 P2 Ru S -","- C176 H148 Cl12 O12 P8 Ru4 S4 -","4","1","","Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.","18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis","Organometallics","2014","33","14","3695","","10.1021/om500212x","","","0.71073","MoKα","","0.1031","0.0585","","","0.1081","0.1287","","","","","","0.992","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083976","18.324","0.004","12.852","0.003","24.197","0.005","90","","95.75","0.03","90","","5670","2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C67 H72 O Sn2 -","- C67 H72 O Sn2 -","- C268 H288 O4 Sn8 -","4","1","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.0305","0.0275","","","0.053","0.0537","","","","","","1.058","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4084214","5.9003","0.0002","38.311","0.0011","17.98","0.0005","90","","99.289","0.003","90","","4011","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 N2 -","- C18 H12 N2 -","- C216 H144 N24 -","12","3","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","0.71073","MoKα","","0.0555","0.0507","","","0.1256","0.1292","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084311","13.4564","0.0011","18.1429","0.0015","15.9523","0.0013","90","","95.34","0.002","90","","3877.7","0.6","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","11 in manuscript","","","- C39 H34 Au B F15 P -","- C39 H34 Au B F15 P -","- C156 H136 Au4 B4 F60 P4 -","4","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0542","0.0449","","","0.0689","0.0746","","","","","","1.041","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084381","17.9112","0.001","9.0456","0.0003","19.0419","0.0011","90","","120.609","0.008","90","","2655.2","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H33 Fe N3 O4 Si -","- C23 H33 Fe N3 O4 Si -","- C92 H132 Fe4 N12 O16 Si4 -","4","1","","Blom, Burgert; Pohl, Markus; Tan, Gengwen; Gallego, Daniel; Driess, Matthias","From Unsymmetrically Substituted Benzamidinato and Guanidinato Dichlorohydridosilanes to Novel Hydrido N-Heterocyclic Silylene Iron Complexes","Organometallics","2014","33","19","5272","","10.1021/om5005918","","","1.54184","CuKα","","0.0537","0.0448","","","0.1061","0.1166","","","","","","1.068","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084501","19.6092","0.0017","11.8959","0.001","23.32","0.002","90","","94.238","0.001","90","","5425","0.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H64 B N4 O3 P2 Rh -","- C63 H64 B N4 O3 P2 Rh -","- C252 H256 B4 N16 O12 P8 Rh4 -","4","1","","Nacianceno, Virginia San; Ibarlucea, Lourdes; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M.; Zumeta, Itziar; Ubide, Carlos; Garralda, María A.","Hydrido{(acylphosphine)(diphenylphosphinous acid)}rhodium(III) Complexes. Catalysts for the Homogeneous Hydrolysis of Ammonia- or Amine-Boranes under Air","Organometallics","2014","33","21","6044","","10.1021/om500666w","","","0.71073","MoKα","","0.0522","0.0436","","","0.0898","0.0965","","","","","","1.015","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084650","10.361","0.002","21.716","0.004","15.673","0.004","90","","106.855","0.007","90","","3374.9","1.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37 H49 F Ni O2 P2 -","- C37 H49 F Ni O2 P2 -","- C148 H196 F4 Ni4 O8 P8 -","4","1","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.0656","0.0546","","","0.1491","0.1525","","","","","","1.075","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084822","14.817","0.002","15.856","0.002","17.075","0.003","90","","115.142","0.0018","90","","3631.5","0.9","93","2","93","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C33 H60 B Cl N2 O3 P2 Ru -","- C33 H60 B Cl N2 O3 P2 Ru -","- C132 H240 B4 Cl4 N8 O12 P8 Ru4 -","4","1","","Miyada, Takuma; Huang Kwan, Enrique; Yamashita, Makoto","Synthesis, Structure, and Bonding Properties of Ruthenium Complexes Possessing a Boron-Based PBP Pincer Ligand and Their Application for Catalytic Hydrogenation","Organometallics","2014","33","23","6760","","10.1021/om500585j","","","0.71075","MoKα","","0.0329","0.029","","","0.0618","0.0634","","","","","","1.019","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084823","19.318","0.004","16.123","0.003","11.44","0.003","90","","109.855","0.002","90","","3351.3","1.3","113","2","113","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C29 H56 B2 N2 O2 P2 Ru -","- C29 H56 B2 N2 O2 P2 Ru -","- C116 H224 B8 N8 O8 P8 Ru4 -","4","1","","Miyada, Takuma; Huang Kwan, Enrique; Yamashita, Makoto","Synthesis, Structure, and Bonding Properties of Ruthenium Complexes Possessing a Boron-Based PBP Pincer Ligand and Their Application for Catalytic Hydrogenation","Organometallics","2014","33","23","6760","","10.1021/om500585j","","","0.71075","MoKα","","0.0385","0.0356","","","0.0791","0.0827","","","","","","1.098","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4085026","9.7961","0.0004","18.6744","0.0007","39.6955","0.0015","90","","90.5218","0.0017","90","","7261.4","0.5","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H66 Cl N3 Zr -","- C36 H66 Cl N3 Zr -","- C288 H528 Cl8 N24 Zr8 -","8","2","","Adler, Christian; Tomaschun, Gabriele; Schmidtmann, Marc; Beckhaus, Rüdiger","Remarkably Robust Mono-n-butyl Group IV Dicyclohexylamido Complexes {(Cy)2N}3M(n-butyl) (Cy: cyclohexyl [C6H11], M: Ti, Zr)","Organometallics","2014","33","24","7011","","10.1021/om5008105","","","0.71073","MoKα","","0.0343","0.0314","","","0.0706","0.0717","","","","","","1.079","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085027","9.8677","0.0002","18.6254","0.0004","39.7773","0.001","90","","90.3881","0.001","90","","7310.5","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H69 N3 Zr -","- C37 H69 N3 Zr -","- C296 H552 N24 Zr8 -","8","2","","Adler, Christian; Tomaschun, Gabriele; Schmidtmann, Marc; Beckhaus, Rüdiger","Remarkably Robust Mono-n-butyl Group IV Dicyclohexylamido Complexes {(Cy)2N}3M(n-butyl) (Cy: cyclohexyl [C6H11], M: Ti, Zr)","Organometallics","2014","33","24","7011","","10.1021/om5008105","","","0.71073","MoKα","","0.0348","0.0316","","","0.0699","0.071","","","","","","1.106","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085079","19.519","0.017","15.046","0.012","24.98","0.02","90","","110.579","0.005","90","","6868","10","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H62 F24 Ge2 N2 O8 -","- C63 H62 F24 Ge2 N2 O8 -","- C252 H248 F96 Ge8 N8 O32 -","4","1","","Kano, Naokazu; Tsukada, Satoru; Shibata, Yusuke; Kawashima, Takayuki; Sato, Hiroyasu; Guo, Jing-Dong; Nagase, Shigeru","Interconversion among Dianionic, Anionic, and Neutral Compounds Bearing a Bond between Two Pentacoordinated Germanium Atoms","Organometallics","2015","34","1","56","","10.1021/om500814g","","","0.7107","MoKα","","0.063","0.0502","","","0.1111","0.128","","","","","","1.135","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085107","8.3288","0.0002","15.1784","0.0004","13.2998","0.0004","90","","101.672","0.002","90","","1646.57","0.08","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H19 Ir O2 S -","- C18 H19 Ir O2 S -","- C72 H76 Ir4 O8 S4 -","4","1","","Frasco, Daniel A.; Sommer, Roger D.; Ison, Elon A.","ortho-C‒H Activation of Thiobenzoic Acid: Synthesis, Characterization, and Reactivity of Iridium Thiobenzoate Complexes","Organometallics","2015","34","1","275","","10.1021/om501115u","","","0.71073","MoKα","","0.0426","0.0394","","","0.0917","0.0935","","","","","","1.03","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085130","10.007","0.0017","18.858","0.003","9.0388","0.0014","90","","100.884","0.005","90","","1675","0.5","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H16 Au Cl N2 -","- C19 H16 Au Cl N2 -","- C76 H64 Au4 Cl4 N8 -","4","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0277","0.0267","","","0.0519","0.0522","","","","","","0.762","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085186","18.094","0.004","10.722","0.002","27.958","0.006","90","","100.84","0.03","90","","5327","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H40 Cl2 F4 N2 Ni -","- C54 H40 Cl2 F4 N2 Ni -","- C216 H160 Cl8 F16 N8 Ni4 -","4","1","","Du, Shizhen; Kong, Shaoliang; Shi, Qisong; Mao, Jing; Guo, Cunyue; Yi, Jianjun; Liang, Tongling; Sun, Wen-Hua","Enhancing the Activity and Thermal Stability of Nickel Complex Precatalysts Using 1-[2,6-Bis(bis(4-fluorophenyl)methyl)-4-methyl phenylimino]-2-aryliminoacenaphthylene Derivatives","Organometallics","2015","34","3","582","","10.1021/om500943u","","","0.71073","MoKα","","","0.0678","","","0.1758","0.1854","","","","","","1.035","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085207","8.772","0.0009","21.253","0.002","13.4777","0.0013","90","","90.923","0.003","90","","2512.3","0.4","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","2 in manuscript","","","- C20 H41 B F4 N2 P2 -","- C20 H41 B F4 N2 P2 -","- C80 H164 B4 F16 N8 P8 -","4","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0767","0.0559","","","0.118","0.1306","","","","","","1.047","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085215","8.8341","0.0018","21.44","0.004","15.5","0.003","90","","92.43","0.004","90","","2933.1","1","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","10 in manuscript","","","- C26 H46 B F4 N2 P2 Rh -","- C26 H46 B F4 N2 P2 Rh -","- C104 H184 B4 F16 N8 P8 Rh4 -","4","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0618","0.0478","","","0.0904","0.0977","","","","","","1.026","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085311","29.29","0.007","29.304","0.008","8.847","0.002","90","","90.364","0.005","90","","7593","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H22 Br N3 Pd -","- C19 H22 Br N3 Pd -","- C304 H352 Br16 N48 Pd16 -","16","4","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant","N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene","Organometallics","2015","34","2","522","","10.1021/om501160n","","","0.71073","MoKα","","0.0744","0.0628","","","0.1485","0.156","","","","","","1.016","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085396","21.441","0.0017","14.6684","0.0012","15.74","0.0013","90","","129.094","0.001","90","","3842","0.5","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","4 in manuscript","","","- C39 H56 Br Li N4 O2 -","- C39 H56 Br Li N4 O2 -","- C156 H224 Br4 Li4 N16 O8 -","4","1","","Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter","Lithium Complexes of Neutral Bis-NHC Ligands","Organometallics","2015","34","3","669","","10.1021/om501229b","","","0.71073","MoKα","","0.0707","0.0466","","","0.1074","0.1177","","","","","","1.006","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085426","21.938","0.007","10.17","0.003","17.773","0.005","90","","110.049","0.004","90","","3725","1.9","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H56 N2 O2 Y -","- C39 H56 N2 O2 Y -","- C156 H224 N8 O8 Y4 -","4","1","","Li, Jianfeng; Huang, Hanmin; Wang, Fengxin; Cui, Chunming","Cyclopentadienyl Yttrium Ene-Diamido Complexes: Coupling of the Ene-Diamido Ligand with Isocyanate","Organometallics","2015","34","4","683","","10.1021/om501257r","","","0.71073","MoKα","","0.0401","0.0335","","","0.0699","0.0722","","","","","","1.007","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085632","24.5726","0.0009","8.0142","0.0003","16.8295","0.0006","90","","115.208","0.002","90","","2998.6","0.2","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H32 Cl2 N O4 P Ru -","- C33 H32 Cl2 N O4 P Ru -","- C132 H128 Cl8 N4 O16 P4 Ru4 -","4","1","","Harvey, Pierre D.; Tasan, Semra; Gros, Claude P.; Devillers, Charles H.; Richard, Philippe; Gendre, Pierre Le; Bodio, Ewen","Ruthenium and Osmium Complexes of Phosphine-Porphyrin Derivatives as Potential Bimetallic Theranostics: Photophysical Studies","Organometallics","2015","34","7","1218","","10.1021/om5011808","","x-ray","0.71073","MoKα","","0.0439","0.0393","","","0.0854","0.0896","","","","","","1.077","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085843","14.278","0.002","25.977","0.004","11.9948","0.0018","90","","100.324","0.002","90","","4376.8","1.1","125","2","125","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48.5 H58 N3 Ta -","- C48.5 H58 N3 Ta -","- C194 H232 N12 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0778","0.0513","","","0.0915","0.1004","","","","","","1.003","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086176","14.3174","0.0013","16.2657","0.0014","8.1709","0.0007","90","","91.4942","0.0018","90","","1902.2","0.3","100","0.5","100","0.5","","","","","","","","6","C 1 c 1","C -2yc","9","jonaw65","Cp*RhCl(4-MeOC6H3-Py)","","- C22 H25 Cl N O Rh -","- C22 H25 Cl N O Rh -","- C88 H100 Cl4 N4 O4 Rh4 -","4","1","","Walsh, Aaron P.; Jones, William D.","Mechanistic Insights of a Concerted Metalation‒Deprotonation Reaction with [Cp*RhCl2]2","Organometallics","2015","34","13","3400","","10.1021/acs.organomet.5b00369","","","0.71073","MoKα","","0.0237","0.0226","","","0.0499","0.0504","","","","","","1.023","","","","has coordinates","152780","2020-10-21","18:00:00",""
"4086251","11.7187","0.0005","18.5843","0.0005","9.2912","0.0004","90","","110.649","0.005","90","","1893.48","0.14","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H17 Cl I N3 O -","- C17 H17 Cl I N3 O -","- C68 H68 Cl4 I4 N12 O4 -","4","1","","Mendoza-Espinosa, Daniel; González-Olvera, Rodrigo; Negrón-Silva, Guillermo E.; Angeles-Beltrán, Deyanira; Suárez-Castillo, Oscar R.; Álvarez-Hernández, Alejandro; Santillan, Rosa","Phenoxy-Linked Mesoionic Triazol-5-ylidenes as Platforms for Multinuclear Transition Metal Complexes","Organometallics","2015","34","18","4529","","10.1021/acs.organomet.5b00571","","","0.71073","MoKα","","0.0431","0.0306","","","0.0664","0.0736","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086331","26.5795","0.0009","23.0419","0.0008","24.1024","0.0008","90","","103.664","0.001","90","","14343.5","0.8","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37.5 H54 Cl O P2 Rh -","- C37.5 H54 Cl O P2 Rh -","- C600 H864 Cl16 O16 P32 Rh16 -","16","4","","Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor","Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism","Organometallics","2015","","","","","10.1021/acs.organomet.5b00710","","","0.71073","MoKα","","0.1478","0.0639","","","0.0915","0.1113","","","","","","1.009","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086415","16.6651","0.0016","16.7535","0.0016","33.545","0.003","90","","94.544","0.003","90","","9336.3","1.5","298","2","298","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C41 H47 F6 Fe Ni O2 P3 S2 -","- C41 H47 F6 Fe Ni O2 P3 S2 -","- C328 H376 F48 Fe8 Ni8 O16 P24 S16 -","8","2","","Sun, Puhua; Yang, Dawei; Li, Ying; Zhang, Yahui; Su, Linan; Wang, Baomin; Qu, Jingping","Thiolate-Bridged Nickel‒Iron and Nickel‒Ruthenium Complexes Relevant to the CO-Inhibited State of [NiFe]-Hydrogenase","Organometallics","2016","35","5","751","","10.1021/acs.organomet.5b01035","","","0.71073","MoKα","","0.0605","0.0518","","","0.1249","0.1293","","","","","","0.996","","","","has coordinates","182517","2020-10-21","18:00:00",""
"4086417","16.7547","0.0007","16.804","0.0007","33.4582","0.0014","90","","93.988","0.002","90","","9397.2","0.7","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C44 H54 F6 Ni O2 P3 Ru S2 -","- C44 H54 F6 Ni O2 P3 Ru S2 -","- C352 H432 F48 Ni8 O16 P24 Ru8 S16 -","8","2","","Sun, Puhua; Yang, Dawei; Li, Ying; Zhang, Yahui; Su, Linan; Wang, Baomin; Qu, Jingping","Thiolate-Bridged Nickel‒Iron and Nickel‒Ruthenium Complexes Relevant to the CO-Inhibited State of [NiFe]-Hydrogenase","Organometallics","2016","35","5","751","","10.1021/acs.organomet.5b01035","","","0.71073","MoKα","","0.0551","0.0482","","","0.1099","0.1146","","","","","","1.009","","","","has coordinates","182517","2020-10-21","18:00:00",""
"4086739","13.8383","0.0007","33.677","0.0017","8.1729","0.0004","90","","94.676","0.003","90","","3796.2","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H10 B F9 -","- C21 H10 B F9 -","- C168 H80 B8 F72 -","8","2","","Smith, Mallory F.; Cassidy, S. Joel; Adams, Ian A.; Vasiliu, Monica; Gerlach, Deidra L.; Dixon, David A.; Rupar, Paul A.","Substituent Effects on the Properties of Borafluorenes","Organometallics","2016","35","18","3182","","10.1021/acs.organomet.6b00537","","","0.71073","MoKα","","0.0594","0.04","","","0.0951","0.1109","","","","","","1.05","","","","has coordinates","186948","2020-10-21","18:00:00",""
"4086824","19.5867","0.0017","15.1995","0.0013","23.5502","0.0017","90","","96.737","0.0012","90","","6962.7","1","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C73 H92.47 F3 Mn N2 O7 S -","- C73 H92.468 F3 Mn N2 O7 S -","- C292 H369.872 F12 Mn4 N8 O28 S4 -","4","1","","Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids","Organometallics","2017","36","2","363","","10.1021/acs.organomet.6b00792","","x-ray","0.71073","MoKα","","0.038","0.0353","","","0.0877","0.0897","","","","","","1.025","","","","has coordinates,has disorder","191363","2020-10-21","18:00:00",""
"4087382","17.6022","0.0012","15.0951","0.0009","11.7866","0.0007","90","","106.798","0.005","90","","2998.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H44 Co N2 P -","- C33 H44 Co N2 P -","- C132 H176 Co4 N8 P4 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","1.54178","CuKα","","0.044","0.0405","","","0.0993","0.1023","","","","","","1.042","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087464","10.1503","0.0003","17.9661","0.0005","16.5896","0.0005","90","","102.937","0.002","90","","2948.51","0.15","100","1","100","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H41 B7 Co N3 -","- C24 H41 B7 Co N3 -","- C96 H164 B28 Co4 N12 -","4","1","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0287","0.0245","","","0.0541","0.0562","","","","","","0.911","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4087480","7.481","0.0009","16.883","0.002","13.0316","0.0016","90","","105.779","0.003","90","","1583.9","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(η^6^-1,3,5-Triiodobenzene)(η^5^-cyclopentadienyl)ruthenium(II) hexafluoridophosphate","","- C11 H8 B F4 I3 Ru -","- C11 H8 B F4 I3 Ru -","- C44 H32 B4 F16 I12 Ru4 -","4","1","","Ziemann, Elisabeth A.; Baljak, Sladjana; Steffens, Stefan; Stein, Timo; Van Steerteghem, Nick; Asselberghs, Inge; Clays, Koen; Heck, Jürgen","Stille Cross-Coupling Reaction with Cationic [(η5-Cp)(η6-C6H6‒xIx)Ru]+ Complexes as Key for Ethynyl-Bridged Homo- and Heteronuclear Sandwich Compounds","Organometallics","2015","34","9","1692","","10.1021/acs.organomet.5b00160","","","0.71073","MoKα","","0.0319","0.0316","","","0.0806","0.0808","","","","","","1.074","","","","has coordinates","236816","2020-10-21","18:00:00",""
"4087573","17.196","0.003","15.932","0.003","22.311","0.005","90","","112.46","0.03","90","","5649","2","153","2","153","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C57 H50 B Cl2 Cu F4 N4 P4 -","- C57 H50 B Cl2 Cu F4 N4 P4 -","- C228 H200 B4 Cl8 Cu4 F16 N16 P16 -","4","1","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0811","0.0726","","","0.1912","0.2007","","","","","","1.035","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087757","15.0451","0.0008","9.6692","0.0006","18.4342","0.0011","90","","104.426","0.003","90","","2597.1","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","NiCl2dppb","","","- C30 H24 Br0 Cl2 Ni P2 -","- C30 H24 Cl2 Ni P2 -","- C120 H96 Cl8 Ni4 P8 -","4","1","","Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.","Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere","Organometallics","2015","34","19","4766","","10.1021/acs.organomet.5b00568","","","1.54178","CuKα","","0.0919","0.0861","","","0.224","0.2307","","","","","","1.058","","","","has coordinates","236987","2020-10-21","18:00:00",""
"4087774","20.8139","0.0005","37.7028","0.001","25.5412","0.0006","90","","93.333","0.001","90","","20009.4","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H77 Al La2 N4 Si4 -","- C39 H76.75 Al La2 N4 Si4 -","- C624 H1228 Al16 La32 N64 Si64 -","16","4","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0409","0.0335","","","0.0676","0.0708","","","","","","0.995","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4087917","8.3407","0.0002","19.9152","0.0005","25.3728","0.0005","90","","98.0744","0.0011","90","","4172.81","0.17","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","DS-96","","- C37 H36 Cl F6 N4 O7 P2 Rh S2 -","- C37 H36 Cl F6 N4 O7 P2 Rh S2 -","- C148 H144 Cl4 F24 N16 O28 P8 Rh4 S8 -","4","1","","Ruiz, Javier; Mesa, Alejandro F.; Sol, Daniel","1,3-Dimethyl-4-(diphenylphosphino)imidazolium Triflate: A Functionalized Ionic Liquid with Ambivalent Coordination Capability","Organometallics","2015","34","20","5129","","10.1021/acs.organomet.5b00722","","x-ray","0.71073","MoKα","","0.0425","0.0317","","","0.0584","0.0617","","","","","","1.023","","","","has coordinates,has disorder","237121","2020-10-21","18:00:00",""
"4087938","9.455","0.003","39.412","0.011","17.344","0.005","90","","104.283","0.007","90","","6263","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C44 H82 Ag2 F6 N6 O6 S2 Si6 -","- C44 H82 Ag2 F6 N6 O6 S2 Si6 -","- C176 H328 Ag8 F24 N24 O24 S8 Si24 -","4","1","","Khan, Shabana; Ahirwar, Saurabh K.; Pal, Shiv; Parvin, Nasrina; Kathewad, Neha","Silicon(II) Bis(trimethylsilyl)amide (LSiN(SiMe3)2, L = PhC(NtBu)2) Supported Copper, Silver, and Gold Complexes","Organometallics","2015","34","22","5401","","10.1021/acs.organomet.5b00745","","","0.71073","MoKα","","0.0443","0.0407","","","0.1013","0.1043","","","","","","1.047","","","","has coordinates","237141","2020-10-21","18:00:00",""
"4088005","21.8788","0.0008","13.5847","0.0005","12.4615","0.0005","90","","115.759","0.001","90","","3335.7","0.2","153","2","153","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H51 B F4 Ir N2 P -","- C33 H51 B F4 Ir N2 P -","- C132 H204 B4 F16 Ir4 N8 P4 -","4","1","","Cepa, Steffen; Schulte to Brinke, Christian; Roelfes, Florian; Hahn, F. Ekkehardt","Hydrogen Activation by an Iridium(III) Complex Bearing a Bidentate Protic NH,NR-NHC∧Phosphine Ligand","Organometallics","2015","34","22","5454","","10.1021/acs.organomet.5b00799","","","0.71073","MoKα","","0.0235","0.0231","","","0.0584","0.0587","","","","","","1.033","","","","has coordinates","237192","2020-10-21","18:00:00",""
"4088023","11.71475","0.00007","23.193","0.0002","19.8589","0.0002","90","","98.147","0.0006","90","","5341.21","0.08","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C47 H58 B2 Cl4 F8 N5 P2 Rh -","- C47 H58 B2 Cl4 F8 N5 P2 Rh -","- C188 H232 B8 Cl16 F32 N20 P8 Rh4 -","4","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Synthesis, Isomerization, and Catalytic Transfer Hydrogenation Activity of Rhodium(III) Complexes Containing Both Chelating Dicarbenes and Diphosphine Ligands","Organometallics","2015","34","24","5723","","10.1021/acs.organomet.5b00809","","","1.54184","CuKα","","0.0223","0.0218","","","0.0549","0.0552","","","","","","1.037","","","","has coordinates,has disorder","237222","2020-10-21","18:00:00",""
"4088024","13.3773","0.0001","24.026","0.0003","16.9704","0.0002","90","","97.94","0.0008","90","","5402.05","0.1","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C48 H59 B3 Cl2 F12 N7 P2 Rh -","- C45 H54 B3 F12 N6 P2 Rh -","- C180 H216 B12 F48 N24 P8 Rh4 -","4","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Synthesis, Isomerization, and Catalytic Transfer Hydrogenation Activity of Rhodium(III) Complexes Containing Both Chelating Dicarbenes and Diphosphine Ligands","Organometallics","2015","34","24","5723","","10.1021/acs.organomet.5b00809","","","1.54184","CuKα","","0.0389","0.0385","","","0.1012","0.1016","","","","","","1.02","","","","has coordinates,has disorder","237222","2020-10-21","18:00:00",""
"4088047","14.1526","0.001","13.8286","0.001","18.801","0.001","90","","106.105","0.001","90","","3535.2","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C43 H37 N3 P2 -","- C43 H37 N3 P2 -","- C172 H148 N12 P8 -","4","1","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.0707","0.053","","","0.1018","0.1149","","","","","","0.829","","","","has coordinates","237231","2020-10-21","18:00:00",""
"4088260","4.1473","0.0001","20.9249","0.0007","19.065","0.0006","90","","94.7599","0.0012","90","","1648.79","0.09","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H19 B N4 -","- C20 H19 B N4 -","- C80 H76 B4 N16 -","4","1","","Chang, Mu-Chieh; Otten, Edwin","Intramolecular Hydride Transfer Reactions in (Formazanate)Boron Dihydride Complexes","Organometallics","2016","35","4","534","","10.1021/acs.organomet.5b00968","","","0.71073","MoKα","","0.0351","0.0325","","","0.0832","0.0846","","","","","","1.07","","","","has coordinates","237421","2020-10-21","18:00:00",""
"4088341","18.482","0.01","22.798","0.013","17.124","0.011","90","","110.915","0.005","90","","6740","7","93","","93","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H100 Al N O4 Zr -","- C66 H100 Al N O4 Zr -","- C264 H400 Al4 N4 O16 Zr4 -","4","1","","Tewasekson, Udomchai; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and Structural Analysis of Zr‒Al Heterobimetallic Complexes, [ZrX{(O-2,4-tBu2C6H2-6-CH2)3(μ2-O-2,4-tBu2-C6H2-6-CH2)}N][R2Al(μ2-OiPr)] [X = Cl, Et, iBu; R = Me, Et, iBu]. Unique Reactivity of the iBu Complex","Organometallics","2016","35","6","866","","10.1021/acs.organomet.5b01027","","","0.71075","MoKα","","","0.0343","","","","0.0978","","","","","","1.06","","","","has coordinates","237473","2020-10-21","18:00:00",""
"4088366","7.5907","0.0005","24.7448","0.0017","14.0482","0.001","90","","102.102","0.001","90","","2580","0.3","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","19 in manuscript","","","- C26 H40 Au Cl N2 O -","- C26 H40 Au Cl N2 O -","- C104 H160 Au4 Cl4 N8 O4 -","4","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0261","0.0216","","","0.0453","0.0467","","","","","","1.029","","","","has coordinates,has disorder","237503","2020-10-21","18:00:00",""
"4088437","13.121","0.0003","21.365","0.0004","20.9552","0.0004","90","","101.63","0.002","90","","5753.8","0.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H55 Cl6 O P3 Ru S -","- C63 H55 Cl6 O P3 Ru S -","- C252 H220 Cl24 O4 P12 Ru4 S4 -","4","1","","Zhuo, Qingde; Zhou, Xiaoxi; Kang, Huijun; Chen, Zhiyong; Yang, Yuhui; Han, Feifei; Zhang, Hong; Xia, Haiping","Synthesis of Fused Metallaaromatics via Intramolecular C‒H Activation of Thiophenes","Organometallics","2016","35","10","1497","","10.1021/acs.organomet.6b00083","","","0.71073","MoKα","","0.051","0.0387","","","0.0879","0.1153","","","","","","1.033","","","","has coordinates,has disorder","237566","2020-10-21","18:00:00",""
"4088438","13.178","0.0003","21.3377","0.0003","21.0918","0.0004","90","","102.265","0.002","90","","5795.4","0.2","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62.5 H54 Cl5 O Os P3 S -","- C62.5 H54 Cl5 O Os P3 S -","- C250 H216 Cl20 O4 Os4 P12 S4 -","4","1","","Zhuo, Qingde; Zhou, Xiaoxi; Kang, Huijun; Chen, Zhiyong; Yang, Yuhui; Han, Feifei; Zhang, Hong; Xia, Haiping","Synthesis of Fused Metallaaromatics via Intramolecular C‒H Activation of Thiophenes","Organometallics","2016","35","10","1497","","10.1021/acs.organomet.6b00083","","","0.71073","MoKα","","0.035","0.0311","","","0.0862","0.088","","","","","","1.036","","","","has coordinates,has disorder","237566","2020-10-21","18:00:00",""
"4088456","16.7047","0.0013","9.9238","0.0008","17.9359","0.0014","90","","117.395","0.0011","90","","2639.9","0.4","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H31 Cl Fe N2 Si -","- C26 H31 Cl Fe N2 Si -","- C104 H124 Cl4 Fe4 N8 Si4 -","4","1","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.0362","0.0297","","","0.0835","0.0967","","","","","","1.115","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4088473","10.143","0.0019","15.794","0.007","17.447","0.003","90","","96.469","0.013","90","","2777.2","1.4","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","Moris409","","","- C25 H41 Cl2 N3 O Ti -","- C25 H41 Cl2 N3 O Ti -","- C100 H164 Cl8 N12 O4 Ti4 -","4","1","","Shoken, Dana; Shimon, Linda J. W.; Tamm, Matthias; Eisen, Moris S.","Synthesis of Imidazolin-2-iminato Titanium Complexes Containing Aryloxo Ligands and Their Catalytic Performance in the Polymerization of α-Olefins","Organometallics","2016","35","8","1125","","10.1021/acs.organomet.6b00117","","","0.71073","MoKα","","0.027","0.0252","","","0.0634","0.0643","","","","","","1.035","","","","has coordinates","237604","2020-10-21","18:00:00",""
"4088544","9.456","0.002","16.545","0.004","18.54","0.004","90","","92.705","0.003","90","","2897.3","1.1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H37 Br Ge Mn N3 O3 -","- C25 H37 Br Ge Mn N3 O3 -","- C100 H148 Br4 Ge4 Mn4 N12 O12 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Gobetto, Roberto; González-Álvarez, Laura; Nervi, Carlo; Pérez-Carreño, Enrique; Polo, Diego","[MnBrL(CO)4] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions","Organometallics","2016","35","11","1761","","10.1021/acs.organomet.6b00168","","","0.71073","MoKα","","0.036","0.0312","","","0.068","0.0698","","","","","","1.004","","","","has coordinates,has disorder","237656","2020-10-21","18:00:00",""
"4088621","21.6589","0.0004","15.1951","0.0003","13.7325","0.0002","90","","107.786","0.001","90","","4303.48","0.13","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H38 K2 N4 O2 -","- C44 H38 K2 N4 O2 -","- C176 H152 K8 N16 O8 -","4","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.0545","0.0507","","","0.1315","0.1356","","","","","","1.094","","","","has coordinates","237717","2020-10-21","18:00:00",""
"4088657","21.1436","0.0015","36.891","0.003","20.4285","0.0014","90","","114.148","0.001","90","","14540","1.9","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74.5 H84 B2 N2 Si2 Yb2 -","- C74.5 H84 B2 N2 Si2 Yb2 -","- C596 H672 B16 N16 Si16 Yb16 -","8","2","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0635","0.0504","","","0.1337","0.1427","","","","","","0.952","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4088685","10.009","0.0001","21.7049","0.0002","22.2006","0.0002","90","","94.0623","0.0008","90","","4810.84","0.08","150","","150","","","","","","","","SYN","5","C 1 c 1","C -2yc","9","","","","- C51 H69 Hf Li O8 -","- C51 H69 Hf Li O8 -","- C204 H276 Hf4 Li4 O32 -","4","1","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","1.5418","CuKα","","0.0265","0.0259","","0.0677","0.0673","0.0677","","","","","","0.9593","","","","has coordinates,has disorder","237762","2020-10-21","18:00:00",""
"4088861","12.4966","0.0003","8.4594","0.0002","13.3671","0.0003","90","","110.504","0.002","90","","1323.56","0.06","230","2","230","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H14 B Br N4 O -","- C11 H14 B Br N4 O -","- C44 H56 B4 Br4 N16 O4 -","4","1","","Allen, Thomas H.; Geib, Steven J.; Curran, Dennis P.","Radical and Thermal Reactions of N-Heterocyclic Carbene Boranes with Diazo Compounds","Organometallics","2016","35","17","2975","","10.1021/acs.organomet.6b00497","","","1.54178","CuKα","","0.0337","0.0322","","","0.0975","0.0989","","","","","","1.196","","","","has coordinates","237860","2020-10-21","18:00:00",""
"4089068","9.8267","0.0004","18.5968","0.0008","39.7906","0.0017","90","","90.6034","0.0019","90","","7271.1","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H69 Hf N3 -","- C37 H69 Hf N3 -","- C296 H552 Hf8 N24 -","8","2","","Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger","Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors","Organometallics","2016","35","21","3728","","10.1021/acs.organomet.6b00688","","","0.71073","MoKα","","0.0371","0.0347","","","0.0725","0.0731","","","","","","1.26","","","","has coordinates,has disorder","237962","2020-10-21","18:00:00",""
"4089142","10.946","0.003","20.8","0.006","10.113","0.003","90","","108.256","0.004","90","","2186.6","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H12 Br F9 Ge -","- C21 H12 Br F9 Ge -","- C84 H48 Br4 F36 Ge4 -","4","1","","Zaitsev, Kirill V.; Lam, Kevin; Zhanabil, Zhaisan; Suleimen, Yerlan; Kharcheva, Anastasia V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Poleshchuk, Oleg Kh.; Lermontova, Elmira Kh.; Churakov, Andrei V.","Oligogermanes Containing Only Electron-Withdrawing Substituents: Synthesis and Properties","Organometallics","2016","36","2","298","","10.1021/acs.organomet.6b00767","","","0.71073","MoKα","","0.0415","0.0361","","","0.0889","0.0919","","","","","","1.037","","","","has coordinates,has disorder","238009","2020-10-21","18:00:00",""
"4089286","11.3512","0.001","25.427","0.002","15.7007","0.0013","90","","100.983","0.0011","90","","4448.6","0.6","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","C39H48F12N4NiP4PdS2","","","- C39 H48 F12 N4 Ni P4 Pd S2 -","- C39 H48 F12 N4 Ni P4 Pd S2 -","- C156 H192 F48 N16 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","","0.0451","0.0372","","","0.0861","0.0904","","","","","","1.015","","","","has coordinates","238090","2020-10-21","18:00:00",""
"4089288","11.476","0.003","25.94","0.006","15.729","0.003","90","","100.662","0.002","90","","4601.5","1.8","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H50 F12 N4 Ni P4 Pd S2 -","- C40 H50 F12 N4 Ni P4 Pd S2 -","- C160 H200 F48 N16 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","","0.0272","0.0259","","","0.067","0.0678","","","","","","1.023","","","","has coordinates","238090","2020-10-21","18:00:00",""
"4089317","19.3358","0.0009","15.1917","0.0004","19.8168","0.0007","90","","109.604","0.002","90","","5483.6","0.4","213","2","213","2","","","","","","","","8","C 1 c 1","C -2yc","9","compound 4Ni_hexane","","","- C55 H69 B Co N6 Ni O3 P -","- C55 H62 B Co N6 Ni O3 P -","- C220 H248 B4 Co4 N24 Ni4 O12 P4 -","4","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.0915","0.048","","","0.117","0.1399","","","","","","0.712","","","","has coordinates","244974","2020-10-21","18:00:00",""
"4089527","10.1037","0.0005","17.3031","0.0006","13.5435","0.0007","90","","98.577","0.005","90","","2341.27","0.19","123","1","123","","","","","","","","see text","5","C 1 c 1","C -2yc","9","","","","- C16 H16 O10 P2 W2 -","- C16 H16 O10 P2 W2 -","- C64 H64 O40 P8 W8 -","4","1","","Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines","Organometallics","2013","32","12","3521","","10.1021/om400357y","","x-ray","1.54184","CuKα","","0.066","0.062","","","0.157","0.1618","","","","","","1.082","","","","has coordinates","243670","2020-10-21","18:00:00",""
"4089558","23.865","0.004","10.269","0.0018","19.572","0.004","90","","108.685","0.011","90","","4543.7","1.5","130","2","130","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C39 H65 B2 Cl2 F8 Fe P3 Pd -","- C39 H65 B2 Cl2 F8 Fe P3 Pd -","- C156 H260 B8 Cl8 F32 Fe4 P12 Pd4 -","4","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0688","0.0488","","","0.0953","0.1042","","","","","","1.029","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4100031","20.4171","0.0006","16.487","0.0005","18.8953","0.0006","90","","91.321","0.001","90","","6358.8","0.3","100","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H86 N6 O10 S2 -","- C66 H86 N6 O10 S2 -","- C264 H344 N24 O40 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042208g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178746","2020-10-21","18:00:00",""
"4100100","14.856","0.003","9.209","0.003","12.593","0.003","90","","110.039","0.006","90","","1618.5","0.7","193","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100167","10.6977","0.001","17.3256","0.0017","16.045","0.002","90","","95.821","0.004","90","","2958.5","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H45 Cl N Rh Si -","- C31 H45 Cl N Rh Si -","- C124 H180 Cl4 N4 Rh4 Si4 -","4","1","","Yves. Canac, Salvador. Conejero; Bruno Donnadieu, Guy. Bertrand; Wolfang. W. Schoeller","Persistent (Amino)(Silyl)Carbenes","Journal of the American Chemical Society","2005","","","","","10.1021/ja051109f","","","","","","","","","","","","","","","","","","","","","has coordinates","178747","2020-10-21","18:00:00",""
"4100361","9.057","0.002","19.794","0.003","14.905","0.003","90","","104.157","0.003","90","","2590.8","0.7","113.1","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C37 H26 N2 -","- C37 H26 N2 -","- C148 H104 N8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053161h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100388","9.6231","0.0002","19.1305","0.0004","12.2601","0.0002","90","","109.799","0.0013","90","","2123.59","0.07","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100421","31.7079","0.0012","20.3142","0.0008","26.6109","0.001","90","","109.871","0.002","90","","16120.1","1.1","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C210 H147 N7 O14 -","- C168 H112 -","- C672 H448 -","4","1","","Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .","3^3,3^4,3^5,3^6,6^3,6^4,6^5,6^6,9^3,9^4,9^5,9^6,12^3,12^4,12^5,12^6- Hexadecaphenyl-1,2(1,4),3(1,2),4,5(1,4),6(1,2),7,8(1,4),9(1,2),10,- 11(1,4),12(1,2)-dodecabenzenacyclododecaphane Nitrobenzene Heptasolvate","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100441","5.4579","0.0015","18.473","0.006","9.635","0.003","90","","104.069","0.004","90","","942.3","0.5","193","2","193","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100470","9.209","0.0005","14.712","0.0008","12.5178","0.0006","90","","109.01","0.03","90","","1603.42","0.15","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H13 Cl2 Fe2 N O11 -","- C6 H13 Cl2 Fe2 N O11 -","- C24 H52 Cl8 Fe8 N4 O44 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178750","2020-10-21","18:00:00",""
"4100626","13.9427","0.0014","15.7739","0.0016","12.9419","0.0014","90","","91.362","0.002","90","","2845.5","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H34 I2 N2 Si2 -","- C22 H34 I2 N2 Si2 -","- C88 H136 I8 N8 Si8 -","4","1","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042636m","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4100867","24.408","0.002","17.8402","0.0016","15.7183","0.0014","90","","110.416","0.002","90","","6414.5","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H42 Cl2 F36 Ir2 O12 P6 -","- C39 H42 Cl2 F36 Ir2 O12 P6 -","- C156 H168 Cl8 F144 Ir8 O48 P24 -","4","1","","Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100916","16.697","0.004","11.156","0.002","17.32","0.004","90","","107.592","0.004","90","","3075","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H59 B Ni P2 -","- C30 H59 B Ni P2 -","- C120 H236 B4 Ni4 P8 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178755","2020-10-21","18:00:00",""
"4101269","9.086","0.0017","24.088","0.004","7.7691","0.0014","90","","115.028","0.002","90","","1540.7","0.5","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H14 Cd Cl N5 O2 -","- C13 H14 Cd Cl N5 O2 -","- C52 H56 Cd4 Cl4 N20 O8 -","4","1","","Ye, Qiong; Song, Yu-Mei; Wang, Guo-Xi; Chen, Kai; Fu, Da-Wei; Chan, Philip Wai Hong; Zhu, Jin-Song; Huang, Songping D; Xiong, Ren-Gen","Ferroelectric metal-organic framework with a high dielectric constant.","Journal of the American Chemical Society","2006","128","20","6554","6555","10.1021/ja060856p","","","0.71073","MoKα","","0.0554","0.0515","","","0.1268","0.1282","","","","","","1.029","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101467","18.9087","0.0017","11.3204","0.0011","11.4261","0.001","90","","109.683","0.002","90","","2302.9","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H32 Cl2 N P Pd2 -","- C22 H32 Cl2 N P Pd2 -","- C88 H128 Cl8 N4 P4 Pd8 -","4","1","","Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón","Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.","Journal of the American Chemical Society","2006","128","19","6376","6390","10.1021/ja057825z","","","0.71073","MoKα","","0.0356","0.0333","","","0.0801","0.0827","","","","","","1.121","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101486","13.8689","0.0003","14.2117","0.0003","19.1372","0.0006","90","","104.345","0.002","90","","3654.35","0.16","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C45 H37 Cl P2 Pd2 -","- C45 H37 Cl P2 Pd2 -","- C180 H148 Cl4 P8 Pd8 -","4","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0541","0.0535","","","0.1369","0.1375","","","","","","1.041","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101493","10.836","0.002","23.767","0.005","9.844","0.002","90","","122.091","0.003","90","","2147.8","0.8","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H25 Br Cl2 N2 O5 -","- C16 H25 Br Cl2 N2 O5 -","- C64 H100 Br4 Cl8 N8 O20 -","4","1","","Yeung, Ying-Yeung; Hong, Sungwoo; Corey, E J","A short enantioselective pathway for the synthesis of the anti-influenza neuramidase inhibitor oseltamivir from 1,3-butadiene and acrylic acid.","Journal of the American Chemical Society","2006","128","19","6310","6311","10.1021/ja0616433","","","0.71073","MoKα","","0.0305","0.0275","","","0.0642","0.0653","","","","","","1.017","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101678","25.0365","0.0005","11.1259","0.0002","24.5183","0.0005","90","","113.503","0.001","90","","6263.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H82 B2 Fe N12 -","- C72 H82 B2 Fe N12 -","- C288 H328 B8 Fe4 N48 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.0411","0.0343","","","0.0862","0.0928","","","","","","1.034","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101679","25.4833","0.0007","11.1536","0.0003","24.7455","0.0007","90","","113.466","0.001","90","","6451.7","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H82 B2 Fe N12 -","- C72 H82 B2 Fe N12 -","- C288 H328 B8 Fe4 N48 -","4","1","","Ni, Zhaoping; Shores, Matthew P","Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.","Journal of the American Chemical Society","2009","131","1","32","33","10.1021/ja807379a","","","0.71073","MoKα","","0.194","0.055","","","0.0837","0.1072","","","","","","1","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101692","16.3409","0.0012","10.5219","0.0008","10.6388","0.0006","90","","94.213","0.006","90","","1824.3","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H15 Ag N6 S -","- C18 H15 Ag N6 S -","- C72 H60 Ag4 N24 S4 -","4","1","","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","The binary silver nitrogen anion [Ag(N3)2]-.","Journal of the American Chemical Society","2009","131","1","72","74","10.1021/ja8077544","","","0.71073","MoKα","","0.0616","0.037","","","0.0686","0.0796","","","","","","1.041","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101693","14.2571","0.0007","12.4154","0.0007","9.4505","0.0005","90","","100.12","0.004","90","","1646.78","0.15","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As K3 S11 Ta2 -","- As K3 S11 Ta2 -","- As4 K12 S44 Ta8 -","4","1","","Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb).","Journal of the American Chemical Society","2009","131","1","75","77","10.1021/ja807928d","","","0.71073","MoKα","","0.0223","0.0215","","","0.0546","0.0548","","","","","","1.034","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101694","14.4397","0.0008","12.8013","0.0009","9.5687","0.0005","90","","99.289","0.004","90","","1745.55","0.18","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As Rb3 S11 Ta2 -","- As Rb3 S11 Ta2 -","- As4 Rb12 S44 Ta8 -","4","1","","Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb).","Journal of the American Chemical Society","2009","131","1","75","77","10.1021/ja807928d","","","0.71073","MoKα","","0.0331","0.031","","","0.0658","0.0663","","","","","","1.047","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101713","26.914","0.006","9.765","0.002","16.289","0.004","90","","109.311","0.003","90","","4040.1","1.6","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H58 N2 O2 Si2 -","- C42 H58 N2 O2 Si2 -","- C168 H232 N8 O8 Si8 -","4","1","","Salata, Michael R.; Marks, Tobin J.","Synthesis, characterization, and marked polymerization selectivity characteristics of binuclear phenoxyiminato organozirconium catalysts.","Journal of the American Chemical Society","2008","130","1","12","13","10.1021/ja076857e","","","0.71073","MoKα","","0.0533","0.0462","","","0.1123","0.1191","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101785","57.31","0.02","7.522","0.003","18.203","0.007","90","","98.1","0.006","90","","7769","5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H22 N O5 Pd S -","- C19 H22 N O5 Pd S -","- C304 H352 N16 O80 Pd16 S16 -","16","4","","Ramesh Giri; Jonathan K. Lam; Jin-Quan Yu","Synthetic Applications of Pd(II)-Catalyzed C-H Carboxylation and Mechanistic Insights: Expedient Routes to Anthranilic Acids, Oxazolinones, and Quinazolinones","Journal of the American Chemical Society","2010","132","","686","693","10.1021/ja9077705","","","0.71073","MoKα","","0.0403","0.0385","","","0.1","0.1016","","","","","","1.05","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4101837","20.579","0.0009","17.723","0.0006","19.808","0.0008","90","","119.906","0.002","90","","6262.4","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","trans-1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]- 1,4-diisopropyl-2-(N,N-diphenylamino)-2-tetrasilene","","- C46 H101 N Si12 -","- C46 H100 N Si12 -","- C184 H400 N4 Si48 -","4","1","","Katsuhiko Takeuchi; Masao Ikoshi; Masaaki Ichinohe; Akira Sekiguchi","Addition of Amines and Hydroborane to the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) Giving Amino- and Boryl-Substituted Disilenes","Journal of the American Chemical Society","2010","132","","930","931","10.1021/ja910157h","","","0.7107","MoKα","","0.0543","0.0447","","","0.1188","0.1239","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101856","25.521","0.017","14.223","0.01","15.13","0.01","90","","113.409","0.013","90","","5040","6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 F24 N8 P4 Ru -","- C40 H46 F24 N8 P4 Ru -","- C160 H184 F96 N32 P16 Ru4 -","4","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.1911","0.1104","","","0.2623","0.3121","","","","","","1.04","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101911","17.982","0.005","16.3","0.005","10.747","0.002","90","","116.82","0.03","90","","2811.2","1.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C144 H96 O36 -","12","3","","Ori Gidron; Yael Diskin-Posner; Michael Bendikov","α-Oligofurans","Journal of the American Chemical Society","2010","132","","2148","2150","10.1021/ja9093346","","","0.71073","MoKα","","0.0529","0.0403","","","0.1045","0.1137","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101989","7.7377","0.0015","23.547","0.005","11.699","0.002","90","","102.15","0.03","90","","2083.8","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C104 H104 N8 O12 -","4","1","","Erica L. Campbell; Andrea M. Zuhl; Christopher M. Liu; Dale L. Boger","Total Synthesis of (+)-Fendleridine (Aspidoalbidine) and (+)-1-Acetylaspidoalbidine","Journal of the American Chemical Society","2010","132","","3009","3012","10.1021/ja908819q","","","0.71073","MoKα","","0.1441","0.0707","","","0.0709","0.0866","","","","","","1.001","","","","has coordinates","178765","2020-10-21","18:00:00",""
"4102046","12.2872","0.0014","5.5419","0.0007","5.5533","0.0006","90","","113.117","0.008","90","","347.79","0.07","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- As Li Se2 -","- As Li Se2 -","- As4 Li4 Se8 -","4","1","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","0.71073","MoKα","","0.0283","0.0237","","","0.0465","0.0475","","","","","","1.099","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102284","13.6759","0.0017","23.23","0.003","8.6375","0.0011","90","","101.575","0.0016","90","","2688.3","0.6","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H21 I3 In O3 P -","- C21 H21 I3 In O3 P -","- C84 H84 I12 In4 O12 P4 -","4","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0485","0.0425","","","0.1037","0.1072","","","","","","1.071","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102999","22.7061","0.0017","14.5944","0.0011","26.198","0.002","90","","91.06","0.002","90","","8680.1","1.1","100","0.1","100","0.1","","","","","","","","8","C 1 c 1","C -2yc","9","7b","","","- C90.39 H111.35 Au3 Cl2.53 Cu2 N O7.28 P2 -","- C90.391 H111.346 Au3 Cl2.526 Cu2 N O7.282 P2 -","- C361.564 H445.384 Au12 Cl10.104 Cu8 N4 O29.128 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.0656","0.048","","","0.0968","0.1034","","","","","","0.995","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4103020","10.3305","0.0002","39.9525","0.0009","8.7003","0.0003","90","","121.825","0.002","90","","3051.03","0.15","183","2","183","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H41 Ca I O3 -","- C32 H41 Ca I O3 -","- C128 H164 Ca4 I4 O12 -","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","","0.0527","0.0354","","","0.071","0.0771","","","","","","0.994","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103334","22.6125","0.0009","10.5065","0.0004","24.5966","0.0012","90","","100.141","0.004","90","","5752.3","0.4","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C59 H75 N2 O2 P2 Si3 Y -","- C59 H75 N2 O2 P2 Si3 Y -","- C236 H300 N8 O8 P8 Si12 Y4 -","4","1","","David P. Mills; Lyndsay Soutar; William Lewis; Alexander J. Blake; Stephen T. Liddle","Regioselective C-H Activation and Sequential C-C and C-O Bond Formation Reactions of Aryl Ketones Promoted by an Yttrium Carbene","Journal of the American Chemical Society","2010","132","","14379","14381","10.1021/ja107958u","","","1.5418","CuKα","","0.0918","0.0884","","","0.259","0.262","","","","","","1.18","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103341","16.873","0.0016","11.1054","0.0011","9.3565","0.0009","90","","118.643","0.001","90","","1538.7","0.3","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0285","0.028","","","0.0723","0.0727","","","","","","1.032","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103389","20.276","0.02","7.5323","0.0034","6.76","0.006","90","","100.72","0.11","90","","1014.4","1.5","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11.5 Al O5 -","- C11.5 Al O5 -","- C46 Al4 O20 -","4","1","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","6.83","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103391","19.806","0.028","7.366","0.005","7.055","0.009","90","","104.36","0.19","90","","997","2","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16.16 Al O3 -","- C16.4 Al O3 -","- C65.6 Al4 O12 -","4","1","","Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos","Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms","Journal of the American Chemical Society","2010","132","","15277","15285","10.1021/ja106142x","powder diffraction","","","","","","","","","","","","","4.26","","","","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103451","12.1773","0.0005","7.0903","0.0003","12.8804","0.0004","90","","104.209","0.002","90","","1078.08","0.07","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Be H2 K2 O8 Si4 -","- Be2.624 H4 K6 O22 Si7.376 -","- Be5.248 H8 K12 O44 Si14.752 -","2","0.5","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0644","0.0574","","","0.1282","0.1346","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103521","19.6727","0.0004","7.742","0.0001","10.7323","0.0002","90","","91.791","0.001","90","","1633.8","0.05","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 Cl In O2 -","- C18 H18 Cl In O2 -","- C72 H72 Cl4 In4 O8 -","4","1","","Zhi-Liang Shen; Kelvin Kau Kiat Goh; Hao-Lun Cheong; Colin Hong An Wong; Yin-Chang Lai; Yong-Sheng Yang; Teck-Peng Loh","Synthesis of Water-Tolerant Indium Homoenolate in Aqueous Media and Its Application in the Synthesis of 1,4-Dicarbonyl Compounds via Palladium-Catalyzed Coupling with Acid Chloride","Journal of the American Chemical Society","2010","132","","15852","15855","10.1021/ja106925f","","","0.71073","MoKα","","0.03","0.0268","","","0.0621","0.0637","","","","","","1.018","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103597","7.9946","0.0006","9.1402","0.0006","6.2269","0.0004","90","","99.584","0.006","90","","448.66","0.05","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-hydroxy-5-Nitrotetrazole","5-nitro-2H-tetrazol-2-ol","","- C H N5 O3 -","- C H N5 O3 -","- C4 H4 N20 O12 -","4","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.027","0.022","","","0.0428","0.0437","","","","","","0.921","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103645","16.038","0.005","16.383","0.005","11.162","0.004","90","","100.889","0.014","90","","2880","1.6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H41 Cr N2 -","- C35 H41 Cr N2 -","- C140 H164 Cr4 N8 -","4","1","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.036","0.0314","","","0.0751","0.0776","","","","","","1.032","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103851","11.7185","0.0002","11.7394","0.0002","34.3511","0.0005","90","","92.989","0.001","90","","4719.19","0.13","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C32 H34 -","- C32 H34 -","- C256 H272 -","8","2","","Moloy Banerjee; Ruchi Shukla; Rajendra Rathore","Synthesis, Optical, and Electronic Properties of Soluble Poly-p-phenylene Oligomers as Models for Molecular Wires","Journal of the American Chemical Society","2009","131","","1780","1786","10.1021/ja805102d","","","1.54178","CuKα","","0.0317","0.0313","","","0.0853","0.0858","","","","","","1.011","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103923","56.082","0.003","13.3274","0.0008","21.6153","0.0012","90","","110.135","0.002","90","","15168.5","1.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C83 H88 N6 O3 Ti2 -","- C83 H88 N6 O3 Ti2 -","- C664 H704 N48 O24 Ti16 -","8","2","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0498","0.0409","","","0.109","0.1154","","","","","","1.019","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4104397","18.9594","0.0015","18.4485","0.0015","13.177","0.004","90","","104.204","0.003","90","","4468","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H36 O16 Zn2 -","- C35 H30 O16 Zn2 -","- C140 H120 O64 Zn8 -","4","1","","Zhengang Guo; Rong Cao; Xin Wang; Hongfang Li; Wenbing Yuan; Guojian Wang; Haohan Wu; Jing Li","A Multifunctional 3D Ferroelectric and NLO-Active Porous Metal-Organic Framework","Journal of the American Chemical Society","2009","131","","6894","6895","10.1021/ja9000129","","","0.71073","MoKα","","0.0548","0.0481","","","0.1361","0.1428","","","","","","0.905","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104672","13.9886","0.0011","7.4843","0.0004","14.8896","0.001","90","","112.969","0.003","90","","1435.27","0.17","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ba I5 Nb O16 -","- Ba I5 Nb O16 -","- Ba4 I20 Nb4 O64 -","4","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Ji-Bei Ling; Ting Hu; Fang Kong; Xi-Fa Long; Jiang-Gao Mao","BaNbO(IO3)5: A New Polar Material with a Very Large SHG Response","Journal of the American Chemical Society","2009","131","","9486","9487","10.1021/ja9030566","","","0.71073","MoKα","","0.032","0.0317","","","0.0837","0.084","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104829","14.321","0.003","20.38","0.005","18.726","0.004","90","","96.093","0.004","90","","5435","2","105","2","105","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H80 Co4 N8 S4 -","- C44 H80 Co4 N8 S4 -","- C176 H320 Co16 N32 S16 -","4","1","","Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm","Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States","Journal of the American Chemical Society","2009","131","","11213","11221","10.1021/ja903847a","","","0.71073","MoKα","","0.0205","0.02","","","0.0489","0.0492","","","","","","1.027","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4105050","6.3954","0.0007","31.99","0.003","16.2225","0.0017","90","","97.99","0.004","90","","3286.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H56 Mg O15 -","- C24 H56 Mg O15 -","- C96 H224 Mg4 O60 -","4","1","","Charles L. Perrin; Jonathan S. Lau; Yeong-Joon Kim; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Asymmetry of the ""Strongest"" OHO Hydrogen Bond, in the Monoanion of (\±)-α,α'-Di-tert-butylsuccinate","Journal of the American Chemical Society","2009","131","","13548","13554","10.1021/ja905806h","","","1.54178","CuKα","","0.0447","0.0437","","","0.1064","0.1074","","","","","","1.057","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105061","11.5692","0.0007","16.1596","0.001","15.8662","0.001","90","","108.836","0.001","90","","2807.4","0.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H47 B2 F3 O3 P2 S -","- C21 H47 B2 F3 O3 P2 S -","- C84 H188 B8 F12 O12 P8 S4 -","4","1","","Gad Fuks; Nathalie Saffon; Laurent Maron; Guy Bertrand; Didier Bourissou","Ionic-Type Reactivity of 1,3-Dibora-2,4-diphosphoniocyclobutane-1,3-diyls: Regio- and Stereoselective Addition of Hydracids","Journal of the American Chemical Society","2009","131","","13681","13689","10.1021/ja903746p","","","0.71073","MoKα","","0.0344","0.0313","","","0.0777","0.0798","","","","","","1.039","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4105089","36.323","0.012","10.166","0.003","34.552","0.01","90","","99.372","0.009","90","","12588","7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C154 H132 B3 N23 -","- C154 H132 B3 N23 -","- C616 H528 B12 N92 -","4","1","","Barry A. Blight; Amaya Camara-Campos; Smilja Djurdjevic; Martin Kaller; David A. Leigh; Fiona M. McMillan; Hamish McNab; Alexandra M. Z. Slawin","AAA-DDD Triple Hydrogen Bond Complexes","Journal of the American Chemical Society","2009","131","","14116","14122","10.1021/ja906061v","","","1.54178","CuKα","","0.1103","0.0884","","","0.2417","0.2881","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105107","9.3217","0.0005","23.7165","0.0012","17.4337","0.0009","90","","94.144","0.001","90","","3844.1","0.3","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","[DMPE2Ph][(PhO)4B]","","","- C36 H52 B O4 P4 Rh -","- C36 H52 B O4 P4 Rh -","- C144 H208 B4 O16 P16 Rh4 -","4","1","","Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois","Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds","Journal of the American Chemical Society","2009","131","","14454","14465","10.1021/ja905287q","","","0.71073","MoKα","","0.0404","0.0354","","","0.0781","0.081","","","","","","1.041","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105713","47.509","0.01","29.741","0.006","33.604","0.007","90","","134.96","0.03","90","","33598","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C310 H132 N46 O56 -","- C310 H132 N46 O56 -","- C1240 H528 N184 O224 -","4","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","0.85","synchrotron","","0.2189","0.1694","","","0.3886","0.416","","","","","","1.023","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105765","26.559","0.003","11.6673","0.0011","23.123","0.002","90","","108.849","0.002","90","","6780.9","1.2","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H111 Fe3 N8 O Si3 -","- C62 H111 Fe3 N8 O Si3 -","- C248 H444 Fe12 N32 O4 Si12 -","4","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.0777","0.0492","","","0.095","0.1047","","","","","","1.037","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4106063","10.9034","0.0004","19.6605","0.0007","23.3795","0.001","90","","94.0904","0.0013","90","","4999","0.3","113.1","","113.1","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H36 N2 O2 Pt -","- C27 H36 N2 O2 Pt -","- C216 H288 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.025","","","","0.0615","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106064","19.5975","0.0012","28.5314","0.0016","17.758","0.0011","90","","152.238","0.0008","90","","4625.1","0.5","113","","113","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H27 N2 O5.5 Pt -","- C22 H26 N2 O5.5 Pt -","- C176 H208 N16 O44 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0313","","","","0.0661","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106070","9.252","0.003","24.067","0.008","17.032","0.006","90","","96.5948","0.0013","90","","3767","2","103.15","","103","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H41 F3 O7 P2 Pd S -","- C37 H41 F3 O7 P2 Pd S -","- C148 H164 F12 O28 P8 Pd4 S4 -","4","1","","Akifumi Nakamura; Kagehiro Munakata; Shingo Ito; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki","Pd-Catalyzed Copolymerization of Methyl Acrylate with Carbon Monoxide: Structures, Properties and Mechanistic Aspects toward Ligand Design","Journal of the American Chemical Society","2011","133","","6761","6779","10.1021/ja2003268","","","0.7107","MoKα","","0.031","0.0285","","","0.0619","0.0635","","","","","","1.048","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106210","13.721","0.002","20.203","0.003","25.633","0.005","90","","102.309","0.002","90","","6942","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C46 H36 N4 O2 -","- C46 H36 N4 O2 -","- C368 H288 N32 O16 -","8","2","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0778","0.0556","","","0.1422","0.1571","","","","","","1.032","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106258","17.2065","0.0007","34.2358","0.0011","39.9013","0.0013","90","","94.874","0.001","90","","23420","1.4","150","2","150","2","","","","","","","synthesis as described","8","C 1 c 1","C -2yc","9","","","","- C203 H102 B8 Cl6 F144 N8 O20 Sr4 -","- C203 H102 B8 Cl6 F144 N8 O20 Sr4 -","- C812 H408 B32 Cl24 F576 N32 O80 Sr16 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.1117","0.0808","","","0.2061","0.2207","","","","","","1.1","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106363","14.666","0.0016","10.4157","0.0012","16.7525","0.0018","90","","113.904","0.002","90","","2339.6","0.4","223.1","","223","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H29 F3 Ir N O5 -","- C20 H29 F3 Ir N O5 -","- C80 H116 F12 Ir4 N4 O20 -","4","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.0471","","","","0.0647","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106377","16.6129","0.0008","20.5472","0.0009","21.677","0.0013","90","","107.376","0.001","90","","7061.7","0.6","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C66.91 H57 Ag Cl9.82 Fe2 N2 O17 S -","- C66.9124 H57 Ag Cl9.8248 Fe2 N2 O17 S -","- C267.65 H228 Ag4 Cl39.2992 Fe8 N8 O68 S4 -","4","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.0427","0.0402","","","0.1057","0.1082","","","","","","1.036","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106499","11.607","0.002","11.6091","0.0012","6.7825","0.0014","90","","119.57","0.03","90","","794.9","0.3","193","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","hydrazoic acid","hydrogen azide","","- H N3 -","- H N3 -","- H16 N48 -","16","4","","Jürgen Evers; Michael Göbel; Burkhard Krumm; Franz Martin; Sergey Medvedyev; Gilbert Oehlinger; Franz Xaver Steemann; Ivan Troyan; Thomas M. Klapötke; Mikhail I. Eremets","Molecular Structure of Hydrazoic Acid with Hydrogen-Bonded Tetramers in Nearly Planar Layers","Journal of the American Chemical Society","2011","133","","12100","12105","10.1021/ja2027053","","","0.71069","MoKα","","0.0244","0.0208","","","0.0494","0.0504","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106662","10.9465","0.0016","28.851","0.005","32.054","0.005","90","","94.241","0.007","90","","10095","3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C99 H115 B2 Cl3 N10 O11 Ru2 -","- C98 H114 B2 N10 O11 Ru2 -","- C392 H456 B8 N40 O44 Ru8 -","4","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71069","MoKα","","0.0644","0.046","","","0.0894","0.0948","","","","","","1.002","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106696","19.277","0.003","48.012","0.007","10.382","0.002","90","","122.58","","90","","8097","2","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C100 H116 N4 -","- C100 H116 N4 -","- C400 H464 N16 -","4","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0474","0.0436","","","0.1126","0.1152","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106979","38.2242","0.0015","10.3105","0.0004","11.7769","0.0005","90","","93.41","0.001","90","","4633.2","0.3","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H27 F5 Si3 -","- C19 H27 F5 Si3 -","- C152 H216 F40 Si24 -","8","2","","Yusuke Inagaki; Masaaki Nakamoto; Akira Sekiguchi","Photoisomerization of Perfluoroaryltetrahedranes to Perfluoroarylcyclobutadienes","Journal of the American Chemical Society","2011","133","","16436","16439","10.1021/ja208354x","","","0.71073","MoKα","","0.0285","0.0269","","","0.0662","0.0673","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107087","27.048","0.006","14.838","0.003","11.731","0.003","90","","101.587","0.003","90","","4612.2","1.8","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H44 F14 N2 O4 -","- C46 H44 F14 N2 O4 -","- C184 H176 F56 N8 O16 -","4","1","","Wan Yue; Jing Gao; Yan Li; Wei Jiang; Simone Di Motta; Fabrizia Negri; Zhaohui Wang","One-Pot Synthesis of Stable NIR Tetracene Diimides via Double Cross-Coupling","Journal of the American Chemical Society","2011","133","","18054","18057","10.1021/ja207630a","","","0.71073","MoKα","","0.0602","0.0571","","","0.1465","0.1496","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107127","22.2063","0.0011","8.6597","0.0005","17.7277","0.0009","90","","112.912","0.001","90","","3140.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H44 Cl Mo N3 -","- C32 H44 Cl Mo N3 -","- C128 H176 Cl4 Mo4 N12 -","4","1","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0175","0.0169","","","0.0431","0.0434","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107145","9.1178","0.0004","13.4299","0.0006","17.0872","0.0008","90","","90.568","0.001","90","","2092.24","0.16","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cmpd 7","","- C19 H32 Mo N4 O2 -","- C19 H32 Mo N4 O2 -","- C76 H128 Mo4 N16 O8 -","4","1","","Jonathan P. Reeds; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Carbon Monoxide-Induced N-N Bond Cleavage of Nitrous Oxide That Is Competitive with Oxygen Atom Transfer to Carbon Monoxide As Mediated by a Mo(II)/Mo(IV) Catalytic Cycle","Journal of the American Chemical Society","2011","133","","18602","18605","10.1021/ja208669s","","","0.71073","MoKα","","0.0159","0.0157","","","0.0374","0.0375","","","","","","1","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107357","9.914","0.002","13.46","0.003","14.925","0.004","90","","108.382","0.002","90","","1890","0.8","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","","Masami Sakamoto; Mamoru Kato; Yoko Aida; Kazuyuki Fujita; Takashi Mino; Tsutomu Fujita","Photosensitized 2 + 2 Cycloaddition Reaction Using Homochirality Generated by Spontaneous Crystallization","Journal of the American Chemical Society","2008","130","","1132","1133","10.1021/ja077912m","","","0.71073","MoKα","","0.0393","0.0369","","","0.106","0.1086","","","","","","0.967","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107424","18.9769","0.0003","24.381","0.0003","15.8073","0.0002","90","","118.19","","90","","6446.15","0.15","100","","100","","","","","","","","toluene","5","C 1 c 1","C -2yc","9","","dimethyloxyethylene-lithium-cyclooctadiene-cyclopentadienyl-ferrate","","- C17 H27 Fe Li O2 -","- C17 H27 Fe Li O2 -","- C272 H432 Fe16 Li16 O32 -","16","4","","Alois Fürstner; Keisuke Majima; Rubén Martín; Helga Krause; Egmont Kattnig; Richard Goddard; Christian W. Lehmann","A Cheap Metal for a ""Noble"" Task: Preparative and Mechanistic Aspects of Cycloisomerization and Cycloaddition Reactions Catalyzed by Low-Valent Iron Complexes","Journal of the American Chemical Society","2008","130","","1992","2004","10.1021/ja0777180","","","0.71073","MoKα","","0.0545","0.0431","","","0.1086","0.1158","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107548","13.91","0.0002","13.0166","0.0002","19.9665","0.0004","90","","107.872","0.001","90","","3440.7","0.1","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","4","","","- C40 H28 F6 Ir N4 P -","- C40 H28 F6 Ir N4 P -","- C160 H112 F24 Ir4 N16 P4 -","4","1","","Hai-Ching Su; Hsiao-Fan Chen; Fu-Chuan Fang; Chih-Che Liu; Chung-Chih Wu; Ken-Tsung Wong; Yi-Hung Liu; Shie-Ming Peng","Solid-State White Light-Emitting Electrochemical Cells Using Iridium-Based Cationic Transition Metal Complexes","Journal of the American Chemical Society","2008","130","","3413","3419","10.1021/ja076051e","","","0.71073","MoKα","","0.0531","0.0417","","","0.0989","0.1162","","","","","","1.14","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107552","19.101","0.003","21.849","0.003","20.734","0.005","90","","90.717","0.014","90","","8652","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","[{(PNP2)Cu}2][SbF6]2, 2 CH2Cl2","","","- C74 H124 Cl4 Cu2 F12 N2 P4 Sb2 -","- C74 H124 Cl4 Cu2 F12 N2 P4 Sb2 -","- C296 H496 Cl16 Cu8 F48 N8 P16 Sb8 -","4","1","","Seth B. Harkins; Neal P. Mankad; Alexander J. M. Miller; Robert K. Szilagyi; Jonas C. Peters","Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2)","Journal of the American Chemical Society","2008","130","","3478","3485","10.1021/ja076537v","","x-ray","0.71073","MoKα","","0.1041","0.0532","","","0.0963","0.1085","","","","","","1.179","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107715","6.2797","0.0015","24.896","0.006","10.252","0.002","90","","93.604","0.004","90","","1599.6","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Qing-Gang Wang; Xian-Ming Deng; Ben-Hu Zhu; Long-Wu Ye; Xiu-Li Sun; Chuan-Ying Li; Chun-Yin Zhu; Qi Shen; Yong Tang","Tandem Michael Addition/Ylide Epoxidation for the Synthesis of Highly Functionalized Cyclohexadiene Epoxide Derivatives","Journal of the American Chemical Society","2008","130","","5408","5409","10.1021/ja800747m","","","0.71073","MoKα","","0.0809","0.0618","","","0.1451","0.1785","","","","","","1.004","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107968","31.1523","0.0006","9.2463","0.0002","11.0586","0.0002","90","","100.598","0.002","90","","3131.02","0.11","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H20 Cl N3 Ni -","- C16 H20 Cl N3 Ni -","- C128 H160 Cl8 N24 Ni8 -","8","2","","Zsolt Csok; Oleg Vechorkin; Seth B. Harkins; Rosario Scopelliti; Xile Hu","Nickel Complexes of a Pincer NN2 Ligand: Multiple Carbon-Chloride Activation of CH2Cl2 and CHCl3 Leads to Selective Carbon-Carbon Bond Formation","Journal of the American Chemical Society","2008","130","","8156","8157","10.1021/ja8025938","","","0.71073","MoKα","","0.0269","0.0223","","","0.0541","0.0578","","","","","","1.065","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4108108","14.47","0.002","20.703","0.004","18.767","0.003","90","","96.635","0.002","90","","5584.4","1.6","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H80 Fe4 N8 S4 -","- C44 H80 Fe4 N8 S4 -","- C176 H320 Fe16 N32 S16 -","4","1","","Liang Deng; R. H. Holm","Stabilization of Fully Reduced Iron-Sulfur Clusters by Carbene Ligation: The [FenSn]0 Oxidation Levels (n= 4, 8)","Journal of the American Chemical Society","2008","130","","9878","9886","10.1021/ja802111w","","","0.71073","MoKα","","0.0255","0.0251","","","0.0663","0.0666","","","","","","1.035","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108365","16.0931","0.0018","40.136","0.005","13.9991","0.0016","90","","111.896","0.002","90","","8389.9","1.7","193","2","193","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H42 Cl2 N2 O3 S2 W -","- C22 H42 Cl2 N2 O3 S2 W -","- C264 H504 Cl24 N24 O36 S24 W12 -","12","3","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0382","0.0345","","","0.0716","0.074","","","","","","1.012","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108366","13.2607","0.0009","14.9006","0.001","14.3014","0.001","90","","93.356","0.001","90","","2821","0.3","193","2","193","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H42 Cl2 Mo N2 O3 S2 -","- C22 H42 Cl2 Mo N2 O3 S2 -","- C88 H168 Cl8 Mo4 N8 O12 S8 -","4","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0275","0.0265","","","0.0657","0.0667","","","","","","1.055","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108421","22.3407","0.0007","10.1916","0.0003","14.7991","0.0009","90","","100.743","0.003","90","","3310.5","0.2","200","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H20 Br4 N6 O8 -","- C36 H20 Br4 N6 O8 -","- C144 H80 Br16 N24 O32 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yusuke Tokunaga; Yoshinori Tokura","Proton Dynamics and Room-Temperature Ferroelectricity in Anilate Salts with a Proton Sponge","Journal of the American Chemical Society","2008","130","","13382","13391","10.1021/ja8032235","","","0.9979","synchrotron","","","0.024","","","","0.0305","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108423","22.198","0.0011","10.1502","0.0004","14.5046","0.0008","90","","101.341","0.003","90","","3204.3","0.3","100","1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H20 Cl4 N6 O8 -","- C36 H20 Cl4 N6 O8 -","- C144 H80 Cl16 N24 O32 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yusuke Tokunaga; Yoshinori Tokura","Proton Dynamics and Room-Temperature Ferroelectricity in Anilate Salts with a Proton Sponge","Journal of the American Chemical Society","2008","130","","13382","13391","10.1021/ja8032235","","","0.6877","synchrotron","","","0.0215","","","","0.0243","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108540","8.8233","0.0002","22.7707","0.0006","15.2423","0.0004","90","","103.444","0.003","90","","2978.46","0.13","","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H26 B F13 Fe N4 S2 -","- C23 H26 B F13 Fe N4 S2 -","- C92 H104 B4 F52 Fe4 N16 S8 -","4","1","","Frances Namuswe; Gary D. Kasper; Amy A. Narducci Sarjeant; Takahiro Hayashi; Courtney M. Krest; Michael T. Green; Pierre Moënne-Loccoz; David P. Goldberg","Rational Tuning of the Thiolate Donor in Model Complexes of Superoxide Reductase: Direct Evidence for a trans Influence in FeIII-OOR Complexes","Journal of the American Chemical Society","2008","130","","14189","14200","10.1021/ja8031828","","","0.71073","MoKα","","0.0583","0.0401","","","0.0892","0.1005","","","","","","1.047","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108552","14.0704","0.0014","18.0074","0.0018","14.4245","0.0014","90","","92.244","0.002","90","","3652","0.6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H20 Au F20 N S4 -","- C32 H20 Au F20 N S4 -","- C128 H80 Au4 F80 N4 S16 -","4","1","","Robert E. Bachman; Sheri A. Bodolosky-Bettis; Chelsea J. Pyle; Margaret Anne Gray","Reversible Oxidative Addition and Reductive Elimination of Fluorinated Disulfides at Gold(I) Thiolate Complexes: A New Ligand Exchange Mechanism","Journal of the American Chemical Society","2008","130","","14303","14310","10.1021/ja805266r","","","0.71073","MoKα","","0.0747","0.0472","","","0.0625","0.069","","","","","","0.938","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108715","11.81","0.005","21.803","0.009","13.251","0.006","90","","90.155","0.006","90","","3412","3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","di(methyltripticil)difluorosilane","","","- C48 H36 F2 Si -","- C48 H36 F2 Si -","- C192 H144 F8 Si4 -","4","1","","Wataru Setaka; Takayoshi Nirengi; Chizuko Kabuto; Mitsuo Kira","Introduction of Clutch Function into a Molecular Gear System by Silane-Silicate Interconversion","Journal of the American Chemical Society","2008","130","","15762","15763","10.1021/ja805777p","","","0.71073","MoKα","","0.0791","0.0442","","","0.1051","0.1226","","","","","","1.024","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108777","17.9949","0.0008","18.7079","0.0008","20.3149","0.0009","90","","112.478","0.001","90","","6319.4","0.5","125","2","125","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H106 Mo3 P10 Se2 -","- C45 H106 Mo3 P10 Se2 -","- C180 H424 Mo12 P40 Se8 -","4","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0454","0.0325","","","0.0582","0.0613","","","","","","1.058","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108799","10.8577","0.0003","19.0236","0.0006","20.0634","0.0006","90","","104.999","0.002","90","","4003","0.2","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H62 B Ni P3 -","- C43 H62 B Ni P3 -","- C172 H248 B4 Ni4 P12 -","4","1","","Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou","Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane","Journal of the American Chemical Society","2008","130","","16729","16738","10.1021/ja8070072","","","0.71073","MoKα","","0.0281","0.0261","","0.0623","0.0618","0.0623","","","","","","0.9909","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109085","38.469","0.008","9.4325","0.0019","16.561","0.003","90","","114.18","0.03","90","","5482","2","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H46 Al Li N2 O -","- C25 H46 Al Li N2 O -","- C200 H368 Al8 Li8 N16 O8 -","8","2","","Hiroshi Naka; Masanobu Uchiyama; Yotaro Matsumoto; Andrew E. H. Wheatley; Mary McPartlin; James V. Morey; Yoshinori Kondo","An Aluminum Ate Base: Its Design, Structure, Function, and Reaction Mechanism","Journal of the American Chemical Society","2007","129","","1921","1930","10.1021/ja064601n","","","0.71073","MoKα","","0.0639","0.0467","","","0.095","0.1038","","","","","","1.08","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109092","24.208","0.0003","9.081","0.0001","19.636","0.0003","90","","114.159","0.001","90","","3938.56","0.09","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H46 N2 O P2 Ru -","- C46 H47 N2 O P2 Ru -","- C184 H188 N8 O4 P8 Ru4 -","4","1","","Suzanne Burling; Belinda M. Paine; Devendrababu Nama; Victoria S. Brown; Mary F. Mahon; Timothy J. Prior; Paul S. Pregosin; Michael K. Whittlesey; Jonathan M. J. Williams","CH Activation Reactions of Ruthenium N-Heterocyclic Carbene Complexes: Application in a Catalytic Tandem Reaction Involving CC Bond Formation from Alcohols","Journal of the American Chemical Society","2007","129","","1987","1995","10.1021/ja065790c","","","0.71073","MoKα","","0.0455","0.0368","","","0.0851","0.0898","","","","","","1.051","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109380","18.624","0.004","8.143","0.004","29.188","0.007","90","","104.63","0.02","90","","4283","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C184 H200 N8 O32 S8 -","8","2","","Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli","Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes","Journal of the American Chemical Society","2007","129","","6037","6049","10.1021/ja0700146","","","0.71069","MoKα","","0.2309","0.0895","","","0.2064","0.2784","","","","","","0.966","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109583","11.879","0.0003","16.205","0.0006","29.367","0.0009","90","","90.886","0.002","90","","5652.4","0.3","120","0.1","120","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","trans-1,2-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl}- 3,4-dimethyl-1,2-disilacyclobutene","","- C38 H98 Si12 -","- C38 H98 Si12 -","- C152 H392 Si48 -","4","1","","Rei Kinjo; Masaaki Ichinohe; Akira Sekiguchi; Nozomi Takagi; Michinori Sumimoto; Shigeru Nagase","Reactivity of a Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) toward π-Bonds: Stereospecific Addition and a New Route to an Isolable 1,2-Disilabenzene","Journal of the American Chemical Society","2007","129","","7766","7767","10.1021/ja072759h","","","0.7107","MoKα","","0.0412","0.0381","","","0.0965","0.0992","","","","","","1.021","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109621","11.7185","0.0002","11.7394","0.0002","34.3511","0.0005","90","","92.989","0.001","90","","4719.19","0.13","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C32 H34 -","- C32 H34 -","- C256 H272 -","8","2","","Moloy Banerjee; Sergey V. Lindeman; Rajendra Rathore","Structural Characterization of Quaterphenyl Cation Radical: X-ray Crystallographic Evidence of Quinoidal Charge Delocalization in Poly-p-phenylene Cation Radicals","Journal of the American Chemical Society","2007","129","","8070","8071","10.1021/ja0720356","","","1.54178","CuKα","","0.0317","0.0313","","","0.0853","0.0858","","","","","","1.011","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109702","8.496","0.003","20.619","0.007","8.291","0.003","90","","102.946","0.005","90","","1415.5","0.9","296","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H22 F3 O P -","- C12 H22 F3 O P -","- C48 H88 F12 O4 P4 -","4","1","","Alex S. Ionkin; William J. Marshall; Brian M. Fish; Matthew F. Schiffhauer; Fredric Davidson","A Stabilized β-Oxaphosphoniumbetaine: An Elusive Zwitterion","Journal of the American Chemical Society","2007","129","","9210","9215","10.1021/ja071644a","","","0.71073","MoKα","","0.0586","0.052","","","0.1326","0.1413","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110153","38.981","0.005","21.921","0.005","24.767","0.005","90","0.005","125.982","0.005","90","0.005","17126","6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C264 H280 F96 N38 O48 P16 Pt4 -","- C264 H280 F96 N38 O48 P16 Pt4 -","- C528 H560 F192 N76 O96 P32 Pt8 -","2","0.5","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.1005","0.066","","","0.1619","0.1909","","","","","","0.971","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110214","7.4409","0.0014","20.364","0.004","12.248","0.002","90","","93.075","0.003","90","","1853.2","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","guanidinium sulfonate clathrate","","","- C16 H23 N3 O4 S -","- C16 H23 N3 O4 S -","- C64 H92 N12 O16 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","","","0.71073","MoKα","","0.0362","0.0302","","","0.0698","0.0717","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110217","7.4786","0.0006","19.3589","0.0015","11.5539","0.0009","90","","91.208","0.002","90","","1672.4","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","guanidinium sulfonate chlathrate","","","- C13 H10 Br N3 O3 S -","- C13 H10 Br N3 O3 S -","- C52 H40 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","","","0.71073","MoKα","","0.0504","0.0444","","","0.1124","0.1154","","","","","","1","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110223","7.508","0.0014","20.473","0.004","12.377","0.002","90","","92.765","0.003","90","","1900.3","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","guanidinium sulfonate clathrate","","","- C17 H25 N3 O3 S -","- C17 H25 N3 O3 S -","- C68 H100 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","","","0.71073","MoKα","","0.0446","0.0362","","","0.0839","0.0867","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110283","14.0114","0.0004","9.3901","0.0003","11.5641","0.0004","90","","106.168","0.002","90","","1461.3","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H20 Cl2 Ge N2 -","- C11 H20 Cl2 Ge N2 -","- C44 H80 Cl8 Ge4 N8 -","4","1","","Paul A. Rupar; Viktor N. Staroverov; Paul J. Ragogna; Kim M. Baines","A Germanium(II)-Centered Dication","Journal of the American Chemical Society","2007","129","","15138","15139","10.1021/ja0775725","","x-ray","0.71073","MoKα","","0.03","0.0291","","","0.0707","0.0715","","","","","","1.031","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110379","8.9165","0.0007","17.4347","0.0014","19.9254","0.0016","90","","93.683","0.001","90","","3091.1","0.4","150","","150","","","","","","","","V.Walland, reaction number vw07","6","C 1 c 1","C -2yc","9","","","","- C38 H38 B Cl N2 Os -","- C38 H38 B Cl N2 Os -","- C152 H152 B4 Cl4 N8 Os4 -","4","1","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0244","0.0221","","0.0573","0.0559","0.0573","","","","","","0.9126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110380","8.8984","0.0003","17.4254","0.0006","19.9718","0.0005","90","","93.609","0.002","90","","3090.65","0.17","150","","150","","","","","","","","?","6","C 1 c 1","C -2yc","9","","","","- C76 H76 B2 Cl2 N4 Ru2 -","- C76 H76 B2 Cl2 N4 Ru2 -","- C152 H152 B4 Cl4 N8 Ru4 -","2","0.5","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0419","0.0384","","0.0912","0.0899","0.0912","","","","","","0.9846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110467","22.221","0.003","17.274","0.002","10.8415","0.0015","90","","92.558","0.002","90","","4157.3","0.9","173","2","173","2","","","","","","","Nermeen W. Aboelella","6","C 1 c 1","C -2yc","9","05208","","","- C46 H54 Cu N2 P S -","- C46 H54 Cu N2 P S -","- C184 H216 Cu4 N8 P4 S4 -","4","1","","Nermeen W. Aboelella; Benjamin F. Gherman; Lyndal M. R. Hill; John T. York; Nicole Holm; Victor G. Young; Christopher J. Cramer; William B. Tolman","Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate-Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases","Journal of the American Chemical Society","2006","128","","3445","3458","10.1021/ja057745v","","","0.71073","MoKα","","0.0653","0.0503","","","0.1142","0.1201","","","","","","1.04","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110693","9.7146","0.0019","31.482","0.006","16.446","0.003","90","","97.43","0.03","90","","4987.5","1.7","163","2","163","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H84 Li2 N2 O4 Zr -","- C46 H84 Li2 N2 O4 Zr -","- C184 H336 Li8 N8 O16 Zr4 -","4","1","","Mason R. Haneline; Alan F. Heyduk","C-C Bond-Forming Reductive Elimination from a Zirconium(IV) Redox-Active Ligand Complex","Journal of the American Chemical Society","2006","128","","8410","8411","10.1021/ja061107a","","","0.71073","MoKα","","0.0416","0.032","","","0.0716","0.0761","","","","","","1.028","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110734","11.9549","0.0002","17.498","0.0004","17.3301","0.0003","90","","98.7693","0.0013","90","","3582.85","0.12","200","","200","","","","","","","","local","5","C 1 c 1","C -2yc","9","","","","- C38 H19 B F20 O2 -","- C38 H19 B F20 O2 -","- C152 H76 B4 F80 O8 -","4","1","","Stephen B. Lee; Anthony C. Willis; Richard D. Webster","Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions","Journal of the American Chemical Society","2006","128","","9332","9333","10.1021/ja0634268","","","0.71073","MoKα","","0.0423","0.0316","","0.0733","0.0694","0.0733","","","","","","0.8816","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111293","14.8543","0.0004","38.0136","0.0015","7.455","0.0002","90","","105.103","0.002","90","","4064.2","0.2","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","Manganese(III) 5,10,15-tris(pentafluorophenyl)corrole Ethyl Acetate, Ethyl Acetate solvate","","- C45 H24 F15 Mn N4 O4 -","- C45 H24 F15 Mn N4 O4 -","- C180 H96 F60 Mn4 N16 O16 -","4","1","","Michael J. Zdilla; Mahdi M. Abu-Omar","Mechanism of Catalytic Aziridination with Manganese Corrole: The Often Postulated High-Valent Mn(V) Imido Is Not the Group Transfer Reagent","Journal of the American Chemical Society","2006","128","","16971","16979","10.1021/ja0665489","","","0.71073","MO-Kα","","0.069","0.06","","","0.105","0.108","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111300","21.708","0.004","25.104","0.005","7.7259","0.0015","90","","98.32","0.03","90","","4166","1.4","173","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H51 Mn3 N6 O10 -","- C40 H51 Mn3 N6 O10 -","- C160 H204 Mn12 N24 O40 -","4","1","","Yue-Ling Bai; Jun Tao; Wolfgang Wernsdorfer; Osamu Sato; Rong-Bin Huang; Lan-Sun Zheng","Coexistence of Magnetization Relaxation and Dielectric Relaxation in a Single-Chain Magnet","Journal of the American Chemical Society","2006","128","","16428","16429","10.1021/ja066679+","","","0.71073","MoKα","","0.0601","0.0386","","","0.0768","0.0838","","","","","","0.904","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111305","12.3775","0.0009","16.5897","0.0012","26.2897","0.0019","90","","102.057","0.001","90","","5279.2","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H52 N6 O2 P2 Pt2 -","- C59 H52 N6 O2 P2 Pt2 -","- C236 H208 N24 O8 P8 Pt8 -","4","1","","Chi-Kin Koo; Benny Lam; Sze-Kar Leung; Michael Hon-Wah Lam; Wai-Yeung Wong","A ""Molecular Pivot-Hinge"" Based on the pH-Regulated Intramolecular Switching of Pt-Pt and π-π Interactions","Journal of the American Chemical Society","2006","128","","16434","16435","10.1021/ja066914o","","","0.71073","MoKα","","0.0326","0.0319","","","0.0794","0.0797","","","","","","1.097","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111438","21.0484","0.0018","30.319","0.003","31.941","0.003","90","","91.844","0.002","90","","20373","3","273","2","273","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C83 H119.5 Fe4 N4.5 Ni O0.5 S15 -","- C83.5 H104 Fe4 N4 Ni O0.5 S15 -","- C668 H832 Fe32 N32 Ni8 O4 S120 -","8","2","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1214","0.0725","","","0.1706","0.1987","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111486","26.594","0.004","9.5792","0.0014","24.2","0.004","90","","114.73","0.003","90","","5599.5","1.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H77 N3 O16 Sn3 -","- C48 H75 N3 O16 Sn3 -","- C192 H300 N12 O64 Sn12 -","4","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0886","0.0751","","","0.1452","0.1516","","","","","","1.086","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111504","27.9984","0.0009","9.7494","0.0003","28.6619","0.0009","90","","96.636","0.002","90","","7771.4","0.4","100","2","100","2","","","","","","","synthesized","5","C 1 c 1","C -2yc","9","","","","- C80 H68 Cl12 N6 O6 -","- C80 H68 Cl12 N6 O6 -","- C320 H272 Cl48 N24 O24 -","4","1","","Easwaran Arunkumar; Christopher C. Forbes; Bruce C. Noll; Bradley D. Smith","Squaraine-Derived Rotaxanes: Sterically Protected Fluorescent Near-IR Dyes","Journal of the American Chemical Society","2005","127","","3288","3289","10.1021/ja042404n","","x-ray","0.71073","MoKα","","0.0909","0.0651","","","0.1589","0.1894","","","","","","1.056","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111510","16.3166","0.001","9.4045","0.0006","22.7153","0.0014","90","","100.553","0.001","90","","3426.7","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H52 Cl Ir N4 -","- C34 H52 Cl Ir N4 -","- C136 H208 Cl4 Ir4 N16 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0298","0.0283","","","0.0605","0.061","","","","","","1.162","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111692","12.7722","0.0005","22.3549","0.0009","7.45","0.0003","90","","107.766","0.001","90","","2025.69","0.14","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","[3-(CF3),5-(CH3)PzCu]3","","","- C15 H12 Cu3 F9 N6 -","- C15 H12 Cu3 F9 N6 -","- C60 H48 Cu12 F36 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0226","0.022","","","0.0583","0.0585","","","","","","1.059","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111815","17.845","0.002","23.754","0.007","18.033","0.002","90","","96.426","0.004","90","","7596","3","150","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H90 Li4 N6 O24 Ti2 -","- C72 H90 Li4 N6 O24 Ti2 -","- C288 H360 Li16 N24 O96 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","1.54179","CuKα","","0.13","0.13","","0.198","","0.198","","","1.011","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111824","9.3921","0.0002","15.6274","0.0003","13.4697","0.0003","90","","100.947","0.001","90","","1941.03","0.07","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H26.727 B10 Cl0.566 I0.707 -","- C10 H26.727 B10 Cl0.566 I0.707 -","- C40 H106.908 B40 Cl2.264 I2.828 -","4","1","","Francesc Teixidor; Gemma Barberà; Albert Vaca; Raikko Kivekäs; Reijo Sillanpää; Josep Oliva; Clara Viñas","Are Methyl Groups Electron-Donating or Electron-Withdrawing in Boron Clusters? Permethylation of o-Carborane","Journal of the American Chemical Society","2005","127","","10158","10159","10.1021/ja052981r","","x-ray","0.71073","Mokα","","0.0306","0.0277","","","0.0661","0.0678","","","","","","1.061","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4112277","13.096","0.0009","10.0714","0.0007","11.0398","0.0008","90","","102.604","0.001","90","","1421.01","0.17","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","cesium uranyl(VI) periodate","","","- Cs I O15.5 U3 -","- Cs I O15.5 U3 -","- Cs4 I4 O62 U12 -","4","1","","Tyler A. Sullens; Rebecca A. Jensen; Tatiana Y. Shvareva; Thomas E. Albrecht-Schmitt","Cation-Cation Interactions between Uranyl Cations in a Polar Open-Framework Uranyl Periodate","Journal of the American Chemical Society","2004","126","","2676","2677","10.1021/ja031695h","","","0.71073","MoKα","","0.0261","0.0239","","","0.0472","0.0478","","","","","","0.705","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112505","15.5823","0.0008","21.0284","0.001","10.3295","0.0005","90","","128.636","0.001","90","","2643.9","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H38 F6 N4 P Rh -","- C22 H38 F6 N4 P Rh -","- C88 H152 F24 N16 P4 Rh4 -","4","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0268","0.0231","","","0.0533","0.0547","","","","","","1.025","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112508","50.4","0.003","10.9732","0.0006","32.3863","0.0018","90","","127.41","0.002","90","","14227","1.4","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C42 H48 Cl2 N4 Pd -","- C42 H48 Cl2 N4 Pd -","- C504 H576 Cl24 N48 Pd12 -","12","3","","Hélène Lebel; Marc K. Janes; André B. Charette; Steven P. Nolan","Structure and Reactivity of ""Unusual"" N-Heterocyclic Carbene (NHC) Palladium Complexes Synthesized from Imidazolium Salts","Journal of the American Chemical Society","2004","126","","5046","5047","10.1021/ja049759r","","","1.54178","CuKα","","0.105","0.0565","","","0.1051","0.1151","","","","","","0.814","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112563","9.4637","0.0007","15.4169","0.0007","14.9804","0.0009","90","","90.16","0.002","90","","2185.6","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H24 F9 I Ir P -","- C17 H24 F9 I Ir P -","- C68 H96 F36 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.0368","0.0364","","","0.0957","0.0961","","","","","","1.068","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112646","18.844","0.003","17.059","0.003","16.439","0.003","90","","111.71","0.003","90","","4909.6","1.5","293","2","213","2","","","","","","","","7","C 1 c 1","C -2yc","9","Cr3(dpa)4(BF4)2, 2CH2Cl2","","","- C42 H36 B2 Cl4 Cr3 F8 N12 -","- C42 H36 B2 Cl4 Cr3 F8 N12 -","- C168 H144 B8 Cl16 Cr12 F32 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","","0.055","0.053","","","0.1472","0.1497","","","","","","1.102","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112833","13.312","0.003","9.675","0.003","14.273","0.003","90","","94.679","0.015","90","","1832.1","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Benzyl-3-(2-oxo-oxazolidine-3-carbonyl)pyridinium bromide","","- C16 H15 Br N2 O3 -","- C16 H15 Br N2 O3 -","- C64 H60 Br4 N8 O12 -","4","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0905","0.0787","","0.2483","0.2174","","","","1.366","1.365","1.365","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112885","18.903","0.004","18.624","0.004","20.125","0.004","90","","94.36","0.03","90","","7064","3","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72.65 H108.9 Al2 N4 O0.45 S2 Si2 -","- C72.653 H108.898 Al2 N4 O0.449 S2 Si2 -","- C290.612 H435.592 Al8 N16 O1.796 S8 Si8 -","4","1","","Hongping Zhu; Jianfang Chai; Qingjun Ma; Vojtech Jancik; Herbert W. Roesky; Hongjun Fan; Regine Herbst-Irmer","A Seven-Membered Aluminum Sulfur Allenyl Heterocycle Arising from the Conversion of an Aluminacyclopropene with CS2","Journal of the American Chemical Society","2004","126","","10194","10195","10.1021/ja049462t","","","1.54178","CuKα","","0.0421","0.0339","","","0.0728","0.0761","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112916","19.7763","0.0016","17.0482","0.0014","8.2902","0.0007","90","","110.11","0.001","90","","2624.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H20 B Br2 F2 N3 -","- C32 H20 B Br2 F2 N3 -","- C128 H80 B4 Br8 F8 N12 -","4","1","","Aoife Gorman; John Killoran; Caroline O'Shea; Tony Kenna; William M. Gallagher; Donal F. O'Shea","In Vitro Demonstration of the Heavy-Atom Effect for Photodynamic Therapy","Journal of the American Chemical Society","2004","126","","10619","10631","10.1021/ja047649e","","","0.71073","MoKα","","0.0281","0.0266","","","0.0632","0.0639","","","","","","1.062","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112961","11.2785","0.0004","23.2551","0.0009","14.0961","0.0005","90","","100.417","0.0009","90","","3636.2","0.2","273.1","","","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C32 H52 F3 Ni O4 P S Si -","- C32 H52 F3 Ni O4 P S Si -","- C128 H208 F12 Ni4 O16 P4 S4 Si4 -","4","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.0665","","","","0.137","","","","","","3.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113010","38.704","0.004","7.4399","0.0008","5.9673","0.0006","90","","92.97","0.002","90","","1716","0.3","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H19 N O2 -","- C22.008 H19 N O2 -","- C88.032 H76 N4 O8 -","4","1","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.0511","0.0396","","","0.1094","0.1269","","","","","","1.08","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113096","15.0933","0.0002","24.4686","0.0003","13.2314","0.0002","90","","107.054","0.001","90","","4671.65","0.11","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H27 Cl3 F10 N4 -","- C57 H26 Cl3.01 F10 N4 -","- C228 H104 Cl12.04 F40 N16 -","4","1","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.0847","0.0546","","","0.1209","0.1335","","","","","","1.198","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113329","24.079","0.006","11.723","0.003","14.917","0.003","90","","109.199","0.005","90","","3976.6","1.6","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H61 Cl2 N O Si Zr -","- C39 H61 Cl2 N O Si Zr -","- C156 H244 Cl8 N4 O4 Si4 Zr4 -","4","1","","Levi J. Irwin; Joseph H. Reibenspies; Stephen A. Miller","A Sterically Expanded ""Constrained Geometry Catalyst"" for Highly Active Olefin Polymerization and Copolymerization: An Unyielding Comonomer Effect","Journal of the American Chemical Society","2004","126","","16716","16717","10.1021/ja044678g","","","0.71073","MoKα","","0.0928","0.0618","","","0.0907","0.0985","","","","","","1.046","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113456","9.619","0.008","36.11","0.02","10.078","0.018","90","","112.07","0.1","90","","3244","7","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H35 I N O P Pd -","- C36 H35 I N O P Pd -","- C144 H140 I4 N4 O4 P4 Pd4 -","4","1","","Daniel Solé; Lluís Vallverdú; Xavier Solans; Mercè Font-Bardía; Josep Bonjoch","Intramolecular Pd-Mediated Processes of Amino-Tethered Aryl Halides and Ketones: Insight into the Ketone α-Arylation and Carbonyl-Addition Dichotomy. A New Class of Four-Membered Azapalladacycles","Journal of the American Chemical Society","2003","125","","1587","1594","10.1021/ja029114w","","","0.71069","MoKα","","0.2056","0.0394","","","0.0423","0.0629","","","","","","0.758","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113505","13.316","0.001","13.5443","0.0012","16.085","0.0013","90","","108.467","0.005","90","","2751.6","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30 Cl2 Co N12 O8 -","- C18 H30 Cl2 Co N12 O8 -","- C72 H120 Cl8 Co4 N48 O32 -","4","1","","Jeffrey C. Yoder; Justine P. Roth; Emily M. Gussenhoven; Anna S. Larsen; James M. Mayer","Electron and Hydrogen-Atom Self-Exchange Reactions of Iron and Cobalt Coordination Complexes","Journal of the American Chemical Society","2003","125","","2629","2640","10.1021/ja0273905","","","0.71074","MoKα","","0.0785","0.0545","","","0.1285","0.1521","","","","","","1.094","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113783","38.754","0.008","10.189","0.002","8.479","0.0017","90","","102.13","0.03","90","","3273.3","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","2{Cd(NO3)2*2Pyyne*H2O}","bis{1-(4-ethynylpyridine)-4-(2-pyridyl)phenylene}cadmium(II) bisnitrate monohydrate","","- C36 H26 Cd N6 O7 -","- C36 H26 Cd N6 O7 -","- C144 H104 Cd4 N24 O28 -","4","1","","Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder","Stereoselective Association of Binuclear Metallacycles in Coordination Polymers","Journal of the American Chemical Society","2003","125","","6753","6761","10.1021/ja029048y","","","0.6892","synchrotron","","0.0525","0.0414","","","0.1073","0.1104","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113888","15.368","0.004","11.131","0.003","8.602","0.002","90","","94.647","0.004","90","","1466.6","0.6","203","2","203","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H23 N3 O -","- C14 H23 N3 O -","- C56 H92 N12 O4 -","4","1","","Tiow-Gan Ong; Glenn P. A. Yap; Darrin S. Richeson","Catalytic Construction and Reconstruction of Guanidines: Ti-Mediated Guanylation of Amines and Transamination of Guanidines","Journal of the American Chemical Society","2003","125","","8100","8101","10.1021/ja035716j","","","0.71073","MoKα","","0.1016","0.069","","","0.1545","0.1705","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113999","15.2211","0.0013","16.7155","0.0014","15.1522","0.0013","90","","98.436","0.002","90","","3813.4","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H67 Al O5 -","- C39 H67 Al O5 -","- C156 H268 Al4 O20 -","4","1","","Russell A. Stapleton; Brandon R. Galan; Scott Collins; Richard S. Simons; Jered C. Garrison; Wiley J. Youngs","Bulky Aluminum Alkyl Scavengers in Olefin Polymerization with Group 4 Catalysts","Journal of the American Chemical Society","2003","125","","9246","9247","10.1021/ja030121+","","","0.71073","MoKα","","0.0917","0.0611","","","0.1104","0.1233","","","","","","1.017","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4114039","9.114","","19.311","","9.794","","90","","99.95","","90","","1697.82","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Jonathan Clayden; Faye E. Knowles; Christel J. Menet","Stereospecific Photochemical Ring Expansion of Lithiated Benzamides","Journal of the American Chemical Society","2003","125","","9278","9279","10.1021/ja035827i","","","0.71069","MoKα","","0.0334","0.0294","","","0.0719","0.0755","","","","","","1.016","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114312","23.187","0.008","8.135","0.002","18.158","0.007","90","","106.72","0.02","90","","3280.3","1.9","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H54 Cu2 N6 O17 P2 -","- C18 H44 Cu2 N6 O17 P2 -","- C72 H176 Cu8 N24 O68 P8 -","4","1","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0687","0.0627","","","0.1588","0.1648","","","","","","1.034","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114398","22.4911","0.0011","5.4647","0.0002","8.0466","0.0004","90","","95.674","0.002","90","","984.14","0.08","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-(4-aminophenoxy)phenol","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","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","","0.0332","0.0329","","","0.0863","0.0866","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114400","9.88","0.001","24.145","0.003","8.214","0.001","90","","108.288","0.002","90","","1860.5","0.4","143.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H29 N O Zr -","- C21 H29 N O Zr -","- C84 H116 N4 O4 Zr4 -","4","1","","Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman","Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes","Journal of the American Chemical Society","2003","125","","14276","14277","10.1021/ja037267t","","","0.7107","MoKα","","","0.0387","","","","0.0431","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114455","25.27","0.006","5.0127","0.0012","15.667","0.004","90","","123.959","0.004","90","","1646.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Br2 O2 S -","- C6 H4 Br2 O2 S -","- C48 H32 Br16 O16 S8 -","8","2","","Hong Meng; Dmitrii F. Perepichka; Michael Bendikov; Fred Wudl; Grant Z. Pan; Wenjiang Yu; Wenjian Dong; Stuart Brown","Solid-State Synthesis of a Conducting Polythiophene via an Unprecedented Heterocyclic Coupling Reaction","Journal of the American Chemical Society","2003","125","","15151","15162","10.1021/ja037115y","","","0.71073","MoKα","","0.0479","0.046","","","0.1186","0.1196","","","","","","1.027","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114580","36.389","0.002","13.313","0.002","12.704","0.002","90","","104.98","0.01","90","","5945.3","1.4","293.2","","293.2","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H26 Cl3 Co N10 O13 -","- C18 H24 Cl3 Co N10 O13 -","- C144 H192 Cl24 Co8 N80 O104 -","8","2","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0402","0.04","","0.045","","0.045","","","1.592","","","1.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114581","24.33","0.007","12.887","0.005","18.157","0.004","90","","91.86","0.02","90","","5690","3","296.2","","296.2","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30.5 Cl1.5 Co N10 O10 -","- C18 H22.5 Cl1.5 Co N10 O9.75 -","- C144 H180 Cl12 Co8 N80 O78 -","8","2","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0595","0.06","","0.062","","0.062","","","1.316","","","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114666","9.927","0.003","20.216","0.005","16.489","0.005","90","","96.031","0.004","90","","3290.8","1.6","173","2","173","2","","","","","","","Doug Spencer","4","C 1 c 1","C -2yc","9","01077","[Ph(H2LiPr)Cu(MeCN)]","","- C35 H44 Cu N3 -","- C35 H38 Cu N3 -","- C140 H152 Cu4 N12 -","4","1","","Douglas J. E. Spencer; Nermeen W. Aboelella; Anne M. Reynolds; Patrick L. Holland; William B. Tolman","β-Diketiminate Ligand Backbone Structural Effects on Cu(I)/O2 Reactivity: Unique Copper-Superoxo and Bis(μ-oxo) Complexes","Journal of the American Chemical Society","2002","124","","2108","2109","10.1021/ja017820b","","","0.71073","MoKα","","0.0407","0.0393","","","0.105","0.1062","","","","","","1.025","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4115059","17.125","0.003","12.93","0.01","9.045","0.002","90","","97.96","0.02","90","","1983.5","1.6","288.2","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C108 H120 O8 -","4","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0485","","","","0.1128","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115147","13.365","0.003","18.259","0.004","14.294","0.003","90","","116.63","0.03","90","","3118.2","1.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H35 Cl2 N2 O P2 Re -","- C31 H35 Cl2 N2 O P2 Re -","- C124 H140 Cl8 N8 O4 P8 Re4 -","4","1","","Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini","Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules","Journal of the American Chemical Society","2002","124","","11468","11479","10.1021/ja0200239","","","0.71073","MoKα","","0.031","0.0273","","","0.0627","0.0646","","","","","","1.024","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115176","14.6762","0.0001","17.796","0.0002","28.7932","0.0003","90","","100.36","0.0005","90","","7397.54","0.12","150","1","150","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C99 H92 O6 -","- C99 H92 O6 -","- C396 H368 O24 -","4","1","","Ken-Tsung Wong; Yuh-Yih Chien; Ruei-Tang Chen; Chung-Feng Wang; Yu-Ting Lin; Huo-Hsien Chiang; Ping-Yuan Hsieh; Chung-Chih Wu; Chung Hsien Chou; Yuhlong Oliver Su; Gene-Hsiang Lee; Shie-Ming Peng","Ter(9,9-diarylfluorene)s: Highly Efficient Blue Emitter with Promising Electrochemical and Thermal Stability","Journal of the American Chemical Society","2002","124","","11576","11577","10.1021/ja0269587","","","0.71073","MoKα","","0.1212","0.0752","","","0.1824","0.2157","","","","","","1.038","","","","has coordinates,has disorder","178922","2020-10-21","18:00:00",""
"4115403","17.2447","0.0014","16.484","0.0013","16.4939","0.0013","90","","109.181","0.001","90","","4428.3","0.6","96","2","96","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H50 B Co O P3 -","- C53 H50 B Co O P3 -","- C212 H200 B4 Co4 O4 P12 -","4","1","","David M. Jenkins; Angel J. Di Bilio; Matthew J. Allen; Theodore A. Betley; Jonas C. Peters","Elucidation of a Low Spin Cobalt(II) System in a Distorted Tetrahedral Geometry","Journal of the American Chemical Society","2002","124","","15336","15350","10.1021/ja026433e","","","0.71073","MoKα","","0.0454","0.0378","","","0.0612","0.0624","","","","","","1.661","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115476","23.873","0.005","11.955","0.004","22.234","0.004","90","","116.47","0.01","90","","5680","3","296.2","","296.2","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H69 O3 P Pd2 Ru2 S4 Ti2 -","- C53 H57 O3 P Pd2 Ru2 S4 Ti2 -","- C212 H228 O12 P4 Pd8 Ru8 S16 Ti8 -","4","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai","A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne","Journal of the American Chemical Society","2001","123","","3826","3827","10.1021/ja0040666","","","0.7107","MoKα","","0.0405","0.0405","","","0.0471","0.0471","","","","","","1.539","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115860","8.8396","0.0006","20.387","0.002","16.916","0.001","90","","93.02","0.001","90","","3044.2","0.4","173","2","173","2","","","","","","","M. Costas, Prof. L. Que","7","C 1 c 1","C -2yc","9","99339","","","- C24 H32 F6 Fe N4 O6 S2 -","- C24 H32 F6 Fe N4 O6 S2 -","- C96 H128 F24 Fe4 N16 O24 S8 -","4","1","","Miquel Costas; Jan-Uwe Rohde; Audria Stubna; Raymond Y. N. Ho; Luca Quaroni; Eckard Münck; Lawrence Que","A Synthetic Model for the Putative FeIV2O2 Diamond Core of Methane Monooxygenase Intermediate Q","Journal of the American Chemical Society","2001","123","","12931","12932","10.1021/ja017204f","","","0.71073","MoKα","","0.0474","0.0417","","0.1033","0.0988","","","","0.997","1.012","1.012","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115977","16.8779","0.0007","14.4419","0.0006","21.1256","0.0009","90","","107.633","0.001","90","","4907.4","0.4","193","","193","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H30 Au2 Fe3 O9 P4 S2 -","- C45 H30 Au2 Fe3 O9 P4 S2 -","- C180 H120 Au8 Fe12 O36 P16 S8 -","4","1","","Caryn C. Borg-Breen; Maria T. Bautista; Cynthia K. Schauer; Peter S. White","Synthesis of the Bifunctional Phosphinidene Cluster, Fe3(CO)9(μ3-PH)2, and a Systematic Study of the Reactivity of the Cluster-Bound P-H Functional Group","Journal of the American Chemical Society","2000","122","","3952","3962","10.1021/ja993811f","","","0.7093","MolybdenumKα","","0.026","0.022","","0.033","0.032","","","","","1.36","1.36","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115983","7.3776","0.0006","23.7473","0.0017","15.4796","0.0013","90","","90.17","0.03","90","","2712","0.4","296","1","296","1","","","","","","","Synthesized in the laboratory of J. P. Selegue","6","C 1 c 1","C -2yc","9","","exo-pentahapto-pentamethylcyclopentadienyl-hexahapto-7bH- indeno[1,2,3-jk]fluoreneruthenium(II) trifluoromethanesulfonate","","- C30 H27 F3 O3 Ru S -","- C30 H27 F3 O3 Ru S -","- C120 H108 F12 O12 Ru4 S4 -","4","1","","Aibing Xia; John P. Selegue; Alberto Carrillo; Carolyn P. Brock","Stereochemical Inversion of a Coordinated, Curved Hydrocarbon: Syntheses and Structures of exo- and endo-[Ru(η6-fluoradene)(η-C5Me5)][CF3SO3]","Journal of the American Chemical Society","2000","122","","3973","3974","10.1021/ja994266l","","","0.71073","MoKα","","0.0419","0.0285","","0.0827","0.0681","","","","1.065","1.105","1.105","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4116299","8.532","0.003","38.001","0.004","9.327","0.003","90","","116.68","0.03","90","","2702.1","1.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-(Cp*Ru)-2-(Cp*RuCO)-3-Co(CO)2-(mu-CO)B3H6","","- C24 H36 B3 Co O4 Ru2 -","- C24 H36 B3 Co O4 Ru2 -","- C96 H144 B12 Co4 O16 Ru8 -","4","1","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)","Journal of the American Chemical Society","1999","121","","1275","1287","10.1021/ja982954j","","","0.71073","MoKα","","0.0653","0.0644","","0.1768","0.1759","","","","1.082","1.085","1.085","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116316","25.5756","0.0001","14.4026","0.0002","31.4563","0.0001","90","","105.625","0.001","90","","11158.9","0.17","173","2","173","2","","","","","","","Prof. Que / H. Zheng","7","C 1 c 1","C -2yc","9","98094","","","- C124 H136 B2 Cl Fe3 N14 O7 -","- C124 H130 B2 Cl Fe3 N14 O7 -","- C496 H520 B8 Cl4 Fe12 N56 O28 -","4","1","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.0987","0.0656","","0.1332","0.1156","","","","1.089","1.098","1.098","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116350","21.119","0.003","12.021","0.004","12.901","0.003","90","","94","","90","1","3267.2","1.4","296.2","","296.2","","","","","","","","","4","C 1 c 1","C -2yc","9","N-Fused","","","- C44 H27 Br N4 -","- C44 H27 Br N4 -","- C176 H108 Br4 N16 -","4","1","","Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Takuji Ogawa","""N-Fused Porphyrin"" from N-Confused Porphyrin","Journal of the American Chemical Society","1999","121","","2945","2946","10.1021/ja9902672","","","0.7107","MoKα","","0.0652","0.065","","0.04","0","0.04","","","1.689","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116441","12.7187","0.0016","19.1092","0.0016","18.068","0.002","90","","90.594","0.013","90","","4391.1","0.8","160","2","160","2","","","","","","","synthetic route","6","C 1 c 1","C -2yc","9","","","","- C42 H86 I2 P2 Ru S -","- C42 H86 P2 Ru Si2 -","- C168 H344 P8 Ru4 Si8 -","4","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.022","","","0.0247","","","","","1.0293","1.0293","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116662","30.471","0.003","9.5138","0.0008","15.0487","0.0013","90","","110.752","0.002","90","","4079.5","0.6","198","2","198","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C49 H40 Fe8 O9 -","- C49 H40 Fe8 O9 -","- C196 H160 Fe32 O36 -","4","1","","Mark D. Westmeyer; Mark A. Massa; Thomas B. Rauchfuss; Scott R. Wilson","Functionalization of Cp4Fe4(CO)4: Contrasts and Comparisons with Ferrocene","Journal of the American Chemical Society","1998","120","","114","123","10.1021/ja972557t","","","0.71073","MoKα","","0.1133","0.088","","0.185","0.1657","","","","1.303","1.318","1.318","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116675","25.6741","0.0002","11.996","0.0003","16.6122","0.0003","90","","101.218","0.002","90","","5018.58","0.16","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H35 B F4 O2 P Re -","- C22 H35 B F4 O2 P Re -","- C176 H280 B8 F32 O16 P8 Re8 -","8","2","","Charles P. Casey; John R. Nash; Chae S. Yi; Anthony D. Selmeczy; Steven Chung; Douglas R. Powell; Randy K. Hayashi","Kinetic Addition of Nucleophiles to η3-Propargyl Rhenium Complexes Occurs at the Central Carbon to Produce Rhenacyclobutenes","Journal of the American Chemical Society","1998","120","","722","733","10.1021/ja9729847","","","0.71073","MoKα","","0.0325","0.0316","","0.0785","0.0777","","","","1.022","1.03","1.03","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116750","11.212","0.002","12.757","0.002","9.281","0.001","90","","112.21","0.01","90","","1229","0.3","296.2","","296.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.062","","","0.064","","","","","6.69","6.69","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116900","15.1677","0.0003","11.5677","0.0003","14.4477","0.0003","90","","101.055","0.002","90","","2487.89","0.1","138","2","138","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H26 B F4 O2 Re -","- C26 H26 B F4 O2 Re -","- C104 H104 B4 F16 O8 Re4 -","4","1","","Charles P. Casey; John T. Brady; Timothy M. Boller; Frank Weinhold; Randy K. Hayashi","Protonation of Rhenium Alkyne Complexes Produces η3-Allyl Rhenium Complexes via Observable 1-Metallacyclopropene Intermediates","Journal of the American Chemical Society","1998","120","","12500","12511","10.1021/ja9815374","","","0.71073","MoKα","","0.0308","0.0287","","0.0712","0.0705","","","","1.06","1.093","1.093","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116913","47.79","0.007","11.517","0.002","21.428","0.004","90","","92.542","0.01","90","","11782","3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H69 K O7 Os P2 -","- C31 H66 K O7 Os P2 -","- C372 H792 K12 O84 Os12 P24 -","12","3","","Dmitry G. Gusev; Alan J. Lough; Robert H. Morris","New Polyhydride Anions and Proton-Hydride Hydrogen Bonding in Their Ion Pairs. X-ray Crystal Structure Determinations of Q[mer-Os(H)3(CO)(PiPr3)2], Q = [K(18-crown-6)] and Q = [K(1-aza-18-crown-6)]","Journal of the American Chemical Society","1998","120","","13138","13147","10.1021/ja9817693","","","0.71073","MoKα","","0.0803","0.059","","0.1367","0.1254","","","","1.035","1.066","1.066","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4117076","17.3528","0.0001","9.6851","0.0002","15.9445","0.0003","90","","110.621","0.001","90","","2508","0.07","183","2","183","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H42 Mo N4 Si3 -","- C16 H42 Mo N4 Si3 -","- C64 H168 Mo4 N16 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0799","0.066","","0.1148","0.1096","","","","1.085","1.119","1.119","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117116","19.573","0.003","12.454","0.004","15.066","0.003","90","","103.94","0.01","90","","3564.4","1.5","296.2","","296.2","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H48 Cl3 N8 O18 P Zn2 -","- C19 H44 Cl3 N8 O18 P Zn2 -","- C76 H176 Cl12 N32 O72 P4 Zn8 -","4","1","","Tohru Koike; Masaki Inoue; Eiichi Kimura; Motoo Shiro","Novel Properties of Cooperative Dinuclear Zinc(II) Ions: The Selective Recognition of Phosphomonoesters and Their P-O Ester Bond Cleavage by a New Dinuclear Zinc(II) Cryptate","Journal of the American Chemical Society","1996","118","","3091","3099","10.1021/ja953413m","","","1.5418","CuKα","","","0.036","","","0.051","","","","","1.4","1.4","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4117234","30.7832","0.0006","11.41495","0.00019","23.7561","0.0004","90","","101.419","0.0017","90","","8182.4","0.3","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C97 H76 Cd3 Cl N3 O13 -","- C97 H76 Cd3 Cl N3 O13 -","- C388 H304 Cd12 Cl4 N12 O52 -","4","1","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.0536","0.0529","","","0.1422","0.1437","","","","","","1.046","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117405","12.6897","0.0012","15.4709","0.0014","14.5349","0.0013","90","","94.934","0.006","90","","2842.9","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H42 N4 Pd -","- C32 H42 N4 Pd -","- C128 H168 N16 Pd4 -","4","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.029","0.024","","","0.048","0.0497","","","","","","1.032","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117649","23.1637","0.0002","12.7303","0.0002","22.4993","0.0003","90","","113.821","0.0005","90","","6069.41","0.14","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H59 B F25 P2 Rh -","- C59 H59 B F25 P2 Rh -","- C236 H236 B4 F100 P8 Rh4 -","4","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0513","0.0388","","","0.0794","0.0851","","","","","","1.022","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117699","34.078","0.007","31.506","0.006","20.33","0.004","90","","104.03","0.03","90","","21176","8","180","2","180","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C178 H177 F48 Fe4 N29 O9 P8 -","- C148 H112 F30 Fe4 N24 O4 P5 -","- C592 H448 F120 Fe16 N96 O16 P20 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.1211","0.1078","","","0.2635","0.2733","","","","","","1.402","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117705","23.7152","0.0011","11.0648","0.0005","18.3257","0.0008","90","","129.973","0.002","90","","3685.2","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","PhDPBPhNiTHF","","","- C46 H41 B Ni O P2 -","- C46 H41 B Ni O P2 -","- C184 H164 B4 Ni4 O4 P8 -","4","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0548","0.0408","","","0.0895","0.0958","","","","","","1.034","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117708","23.19","0.005","38.864","0.008","18.569","0.004","90","","122.8","0.03","90","","14067","7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H99 F6 N3 O4 Sb U -","- C72 H99 F6 N3 O4 Sb U -","- C576 H792 F48 N24 O32 Sb8 U8 -","8","2","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.069","0.0422","","","0.0889","0.0984","","","","","","1.083","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117710","23.159","0.003","38.802","0.005","18.622","0.002","90","","123.063","0.002","90","","14024","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C144 H198 F12 N6 O8 Sb2 U2 -","- C144 H198 F12 N6 O8 Sb2 U2 -","- C576 H792 F48 N24 O32 Sb8 U8 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0954","0.0492","","","0.1006","0.1171","","","","","","1.05","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117737","19.1875","0.001","9.6032","0.0005","17.5086","0.0009","90","","93.098","0.003","90","","3221.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34.96 H48 Cl0.04 Ni O0.96 P2 -","- C34.964 H48 Cl0.036 Ni O0.964 P2 -","- C139.856 H192 Cl0.144 Ni4 O3.856 P8 -","4","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0334","0.0259","","","0.0427","0.0429","","","","","","1.711","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117992","10.081","0.001","11.1274","0.0011","19.0831","0.0019","90","","93.183","0.001","90","","2137.4","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H21 B Cu F4 N3 -","- C23 H21 B Cu F4 N3 -","- C92 H84 B4 Cu4 F16 N12 -","4","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0565","0.049","","","0.1242","0.1291","","","","","","1.091","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4118097","19.6305","0.0005","11.3087","0.0004","18.274","0.0005","90","","105.963","0.002","90","","3900.3","0.2","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H41 B F10 N O P -","- C44 H41 B F10 N O P -","- C176 H164 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0598","0.051","","","0.1016","0.1086","","","","","","1.092","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118130","16.6784","0.0018","15.9715","0.0017","10.6829","0.0012","90","","118.638","0.001","90","","2497.6","0.5","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H25 B10 Co O2 S4 -","- C15 H25 B10 Co O2 S4 -","- C60 H100 B40 Co4 O8 S16 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0767","0.0618","","","0.1452","0.1661","","","","","","1.081","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118149","6.5109","0.0004","11.2402","0.0006","9.7941","0.0005","90","","105.228","0.003","90","","691.6","0.07","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum(III) Borate Chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0173","0.0166","","","0.0349","0.0353","","","","","","1.03","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118150","6.5079","0.0009","11.2082","0.0016","9.7133","0.0014","90","","105.25","0.007","90","","683.56","0.17","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cerium(III) Borate Chloride","","","- B4 Ce Cl O8 -","- B4 Ce Cl O8 -","- B16 Ce4 Cl4 O32 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0173","0.0169","","","0.0389","0.0391","","","","","","1.103","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118154","6.4898","0.0012","11.174","0.002","9.6183","0.0017","90","","105.15","0.002","90","","673.2","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Plutonium(III) borate chloride","","","- B4 Cl O8 Pu -","- B4 Cl O8 Pu -","- B16 Cl4 O32 Pu4 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.026","0.0227","","","0.0406","0.0416","","","","","","0.996","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118384","19.009","0.004","15.288","0.003","7.6842","0.0015","90","","95.16","0.03","90","","2224.1","0.8","123","2","123","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C26 H30 N2 -","- C26 H30 N2 -","- C104 H120 N8 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.1675","0.0669","","","0.1482","0.2117","","","","","","0.892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118430","9.1958","0.0007","13.9189","0.0011","12.6004","0.001","90","","104.126","0.001","90","","1564","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C68 H108 N4 O12 -","4","1","","Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao","Protecting Group-Free Total Synthesis of (-)-Lannotinidine B","Journal of the American Chemical Society","2012","134","","12323","12325","10.1021/ja305261h","","","0.71073","MoKα","","0.0363","0.0341","","","0.0944","0.0964","","","","","","1.05","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118575","23.443","0.005","12.578","0.003","18.292","0.004","90","","116.908","0.003","90","","4809.7","1.9","163","2","163","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C47 H58 B Cu N2 O2 -","- C47 H58 B Cu N2 O2 -","- C188 H232 B4 Cu4 N8 O8 -","4","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.0462","0.0411","","","0.0872","0.0895","","","","","","0.984","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118715","18.82","0.004","15.328","0.003","9.379","0.0019","90","","105.31","0.03","90","","2609.6","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H23 N O -","- C37 H23 N O -","- C148 H92 N4 O4 -","4","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.126","0.0614","","","0.1271","0.1529","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118874","13.2013","0.0016","14.1841","0.0017","9.6256","0.0012","90","","123.066","0.001","90","","1510.5","0.3","173.2","","173.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","1","","Austin G. Smith; Huw M. L. Davies","Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates","Journal of the American Chemical Society","2012","134","","18241","18244","10.1021/ja3092399","","","0.71073","MoKα","","0.0398","0.0342","","","0.0839","0.0873","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4119401","19.0597","0.0007","9.1733","0.0004","15.7972","0.001","90","","121.845","0.001","90","","2346.2","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H23 F6 Fe N3 P2 -","- C20 H23 F6 Fe N3 P2 -","- C80 H92 F24 Fe4 N12 P8 -","4","1","","Erika R. Bartholomew; Emily C. Volpe; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Selective Extraction of N2 from Air by Diarylimine Iron Complexes","Journal of the American Chemical Society","2013","135","","3511","3527","10.1021/ja311021u","","","0.71073","MoKα","","0.0434","0.0364","","","0.0815","0.0858","","","","","","1.024","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119424","13.898","0.005","32.238","0.017","8.756","0.004","90","","127.814","0.019","90","","3099","3","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H30 B N S -","- C31 H30 B N S -","- C124 H120 B4 N4 S4 -","4","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.1171","0.071","","","0.1597","0.1777","","","","","","0.927","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119482","11.2602","0.0016","9.2611","0.0011","18.389","0.003","90","","101.193","0.0011","90","","1881.2","0.5","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Cl2 N4 O4 -","- C20 H12 Cl2 N4 O4 -","- C80 H48 Cl8 N16 O16 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0359","","","","0.0395","","","","","","1.872","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119484","11.237","0.007","9.247","0.006","18.374","0.009","90","","101.203","0.015","90","","1872.8","1.9","296.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Cl2 N4 O4 -","- C20 H12 Cl2 N4 O4 -","- C80 H48 Cl8 N16 O16 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.6876","Synchrotron","","","0.0291","","","","0.0366","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119485","11.3686","0.0015","9.3558","0.0011","18.41","0.003","90","","99.0211","0.0013","90","","1933.9","0.5","293.1","","293.1","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Br2 N4 O4 -","- C20 H12 Br2 N4 O4 -","- C80 H48 Br8 N16 O16 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0283","","","","0.033","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119489","16.148","0.002","9.2333","0.001","13.384","0.0015","90","","100.088","0.0011","90","","1964.7","0.4","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H16 F2 N4 O5 -","- C21 H16 F2 N4 O5 -","- C84 H64 F8 N16 O20 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0391","","","","0.0308","","","","","","1.512","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119626","14.2433","0.0004","13.546","0.0004","17.5077","0.0004","90","","91.861","0.002","90","","3376.15","0.16","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H36 Br F3 I3 N -","- C28 H36 Br F3 I3 N -","- C112 H144 Br4 F12 I12 N4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0586","0.0402","","","0.0819","0.0899","","","","","","1.058","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119657","33.056","0.004","4.6392","0.0006","10.2004","0.0014","90","","99.452","0.003","90","","1543","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-(2-anthracenyl)-N'-(phenyl)-urea","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Valeria Amendola; Greta Bergamaschi; Massimo Boiocchi; Luigi Fabbrizzi; Lorenzo Mosca","The Interaction of Fluoride with Fluorogenic Ureas: An ON1-OFF-ON2 Response","Journal of the American Chemical Society","2013","135","","6345","6355","10.1021/ja4019786","","","0.71073","MoKα","","0.0586","0.0436","","","0.0929","0.1016","","","","","","1.113","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119723","15.4424","0.0013","19.1316","0.0016","10.2475","0.0009","90","","93.747","0.002","90","","3021","0.4","100","0.5","100","0.5","","","","","","","","7","C 1 c 1","C -2yc","9","jonyj32","Tp'Rh(CNneopentyl)(CH2O-t-Bu)Cl","","- C26 H44 B Cl N7 O Rh -","- C26 H44 B Cl N7 O Rh -","- C104 H176 B4 Cl4 N28 O4 Rh4 -","4","1","","Yunzhe Jiao; Meagan E. Evans; James Morris; William W. Brennessel; William D. Jones","Rhodium-Carbon Bond Energies in Tp'Rh(CNneopentyl)(CH2X)H: Quantifying Stabilization Effects in M-C Bonds","Journal of the American Chemical Society","2013","135","","6994","7004","10.1021/ja400966y","","","0.71073","MoKα","","0.1114","0.0589","","","0.1083","0.1282","","","","","","1.006","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4120197","10.758","0.002","16.149","0.003","31.435","0.007","90","","94.595","0.011","90","","5443.7","1.9","173","2","173","2","","","101","","","","","4","C 1 c 1","C -2yc","9","bis(2,6-diisopropylphenyl)phenylphosphine selenide","seleno bis(2,6-diisopropylphenyl)phenylphosphane(V)","","- C30 H39 P Se -","- C30 H39 P Se -","- C240 H312 P8 Se8 -","8","2","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0707","0.0574","","","0.1332","0.1429","","","","","","1.003","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120259","20.2084","0.0005","3.98043","0.00009","15.7991","0.0004","90","","109.387","0.0013","90","","1198.79","0.05","293","2","293","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C10 H10 F4 N3 Nb O -","- C10 H10 F4 N3 Nb O -","- C40 H40 F16 N12 Nb4 O4 -","4","1","","Hongcheng Lu; Romain Gautier; Martin D. Donakowski; T.Thao Tran; Bryce W. Edwards; Juan C. Nino; P. Shiv Halasyamani; Zhengtang Liu; Kenneth R. Poeppelmeier","Nonlinear Active Materials: An Illustration of Controllable Phase Matchability","Journal of the American Chemical Society","2013","135","","11942","11950","10.1021/ja4050604","","x-ray","1.54178","CuKα","","0.0223","0.0222","","","0.0592","0.0595","","","","","","1.11","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120285","14.0305","0.0005","24.7215","0.0007","26.3108","0.0009","90","","98.009","0.003","90","","9037","0.5","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C67 H140 K N3 O22 Si4 U -","- C67 H140 K N3 O22 Si4 U -","- C268 H560 K4 N12 O88 Si16 U4 -","4","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.075","0.058","","","0.12","0.1287","","","","","","1.07","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120300","5.9328","0.0012","16.786","0.003","8.4872","0.0017","90","","100.468","0.002","90","","831.2","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Z)-N',2-dichloro-N-methyl-2,2-dinitroacetimidamide","","- C3 H4 Cl2 N4 O4 -","- C3 H4 Cl2 N4 O4 -","- C12 H16 Cl8 N16 O16 -","4","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0181","0.0178","","","0.0454","0.0457","","","","","","1.048","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120515","10.9229","0.0004","26.9376","0.001","17.6054","0.0007","90","","94.663","0.002","90","","5163","0.3","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","[CP3FeN2][K(Et2O)3]","","","- C49 H84 Fe K N2 O3 P3 -","- C49 H84 Fe K N2 O3 P3 -","- C196 H336 Fe4 K4 N8 O12 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0755","0.0438","","","0.0843","0.0949","","","","","","1.008","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120908","25.546","0.009","12.446","0.005","18.039","0.007","90","","122.538","0.004","90","","4835","3","270","2","270","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thiophene-bridged Gyrotop","","","- C46 H86 S Si2 -","- C46 H86 S Si2 -","- C184 H344 S4 Si8 -","4","1","","Wataru Setaka; Kentaro Yamaguchi","Order-Disorder Transition of Dipolar Rotor in a Crystalline Molecular Gyrotop and Its Optical Change","Journal of the American Chemical Society","2013","135","","14560","14563","10.1021/ja408405f","","","0.71073","MoKα","","0.3347","0.1187","","","0.2792","0.428","","","","","","0.928","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120930","22.316","0.002","11.1178","0.0011","18.4682","0.0018","90","","121.874","0.001","90","","3891.1","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H51 Au Cl2 F6 N3 Sb -","- C34 H51 Au Cl2 F6 N3 Sb -","- C136 H204 Au4 Cl8 F24 N12 Sb4 -","4","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0398","0.0363","","","0.087","0.0891","","","","","","1.013","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4121058","12.77","0.005","15.53","0.005","14.089","0.005","90","","110.42","0.006","90","","2618.5","1.6","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","jonyj20","","","- C23 H40 B Cl N6 P Rh -","- C23 H40 B Cl N6 P Rh -","- C92 H160 B4 Cl4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0809","0.0508","","","0.0853","0.0946","","","","","","1.011","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121232","7.6978","0.0004","15.238","0.0009","10.3159","0.0006","90","","96.133","0.003","90","","1203.12","0.12","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","Pieter H. Bos; Mitchell T. Antalek; John A. Porco; Corey R. J. Stephenson","Tandem Dienone Photorearrangement-Cycloaddition for the Rapid Generation of Molecular Complexity","Journal of the American Chemical Society","2013","135","","17978","17982","10.1021/ja409992m","","","1.54178","CuKα","","0.0324","0.0323","","","0.0857","0.0858","","","","","","1.051","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121304","15.5609","0.0008","15.4738","0.0008","8.185","0.0004","90","","108.102","0.004","90","","1873.29","0.17","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H18 Co F4 P -","- C20 H18 Co F4 P -","- C80 H72 Co4 F16 P4 -","4","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0595","0.0502","","","0.1285","0.1349","","","","","","1.015","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121362","15.4509","0.0005","10.9866","0.0012","19.235","0.003","90","","104.463","0.008","90","","3161.7","0.6","100","","100","","","","","","","","methanol","2","C 1 c 1","C -2yc","9","","","","- C24 H16 -","- C24 H16 -","- C192 H128 -","8","2","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","MoKα","","0.0763","0.0575","","","0.1487","0.1645","","","","","","1.121","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121583","17.092","0.005","25.52","0.005","13.625","0.005","90","","119.057","0.005","90","","5195","3","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H20 Au F3 N6 O3 S -","- C24 H20 Au F3 N6 O3 S -","- C192 H160 Au8 F24 N48 O24 S8 -","8","2","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","0.71073","MoKα","","0.0788","0.0544","","","0.1176","0.1246","","","","","","0.98","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121596","13.3374","0.001","24.979","0.002","8.5046","0.0007","90","","99.119","0.004","90","","2797.5","0.4","228","2","228","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 Co N3 O5 -","- C31 H27 Co N3 O5 -","- C124 H108 Co4 N12 O20 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0947","0.0647","","","0.146","0.1659","","","","","","0.944","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121600","11.691","0.0004","21.0101","0.0006","8.5286","0.0002","90","","130.693","0.002","90","","1588.36","0.09","228","2","228","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H12 Co N2 O4 -","- C16 H12 Co N2 O4 -","- C64 H48 Co4 N8 O16 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0364","0.0332","","","0.0787","0.08","","","","","","1.012","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121602","13.4836","0.0011","24.964","0.002","8.3985","0.0007","90","","98.878","0.003","90","","2793.1","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O5 Zn -","- C31 H27 N3 O5 Zn -","- C124 H108 N12 O20 Zn4 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","0.71073","MoKα","","0.0905","0.0673","","","0.1409","0.1552","","","","","","1.02","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121704","9.2676","0.0004","11.5486","0.0005","15.7879","0.0007","90","","94.439","0.003","90","","1684.68","0.13","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0612","0.0564","","","0.1215","0.1251","","","","","","1.051","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121781","21.336","0.003","23.766","0.004","15.808","0.003","90","","101.568","0.002","90","","7853","2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C79 H93 N9 O16 Zn2 -","- C73 H79 N7 O14 Zn2 -","- C292 H316 N28 O56 Zn8 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","0.71073","MoKα","","0.1612","0.0971","","","0.215","0.2551","","","","","","1.002","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121834","24.7221","0.0009","15.0978","0.0006","25.3767","0.0013","90","","114.465","0.001","90","","8621.4","0.6","100","2","100.09","","","","","","","","","6","C 1 c 1","C -2yc","9","","tris(tetraphenylphosphonium) hexacyanoruthenate(III)","","- C84 H68.68 Cl15.32 N6 P3 Ru -","- C84 H67 Cl15.322 N6 P3 Ru -","- C336 H268 Cl61.288 N24 P12 Ru4 -","4","1","","Graham, Michael J.; Zadrozny, Joseph M.; Shiddiq, Muhandis; Anderson, John S.; Fataftah, Majed S.; Hill, Stephen; Freedman, Danna E.","Influence of electronic spin and spin-orbit coupling on decoherence in mononuclear transition metal complexes.","Journal of the American Chemical Society","2014","136","21","7623","7626","10.1021/ja5037397","","","0.71073","MoKα","","0.046","0.0403","","","0.0947","0.0985","","","","","","1.027","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4122334","31.4051","0.0002","18.7937","0.0001","18.5996","0.0001","90","","93.0737","0.0005","90","","10962","0.11","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","[{Ga{B(NArCH)2}}2{C6H10}].(C6H14)","","- C116 H168 B4 Ga2 N8 -","- C116 H168 B4 Ga2 N8 -","- C464 H672 B16 Ga8 N32 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0264","0.0254","","0.0275","0.0271","0.0269","","","","","","1.1127","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122369","14.512","0.0005","22.916","0.001","12.015","0.0004","90","","113.674","0.009","90","","3659.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H34 Br2 Cl2 N4 O6 -","- C39 H34 Br2 Cl2 N4 O6 -","- C156 H136 Br8 Cl8 N16 O24 -","4","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0378","0.0336","","","0.0763","0.0785","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122643","20.508","0.002","11.6305","0.0012","20.199","0.002","90","","109.809","0.0019","90","","4532.8","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H71 Cu3 N8 O -","- C49 H71 Cu3 N8 O -","- C196 H284 Cu12 N32 O4 -","4","1","","Murray, Leslie J.; Weare, Walter W.; Shearer, Jason; Mitchell, Alyssa D.; Abboud, Khalil A.","Isolation of a (Dinitrogen)Tricopper(I) Complex","Journal of the American Chemical Society","2014","","","140919104426007","","10.1021/ja506445d","","","0.71073","MoKα","","0.0639","0.0381","","","0.0608","0.0655","","","","","","0.887","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122800","10.982","0.003","40.431","0.01","8.0776","0.0018","90","","132.593","0.004","90","","2640.4","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H27 B N2 -","- C36 H27 B N2 -","- C144 H108 B4 N8 -","4","1","","Ishibashi, Jacob S. A.; Marshall, Jonathan L.; Mazière, Audrey; Lovinger, Gabriel J.; Li, Bo; Zakharov, Lev N.; Dargelos, Alain; Graciaa, Alain; Chrostowska, Anna; Liu, Shih-Yuan","Two BN Isosteres of Anthracene: Synthesis and Characterization.","Journal of the American Chemical Society","2014","136","43","15414","15421","10.1021/ja508813v","","","0.71073","MoKα","","0.0507","0.0418","","","0.0924","0.0974","","","","","","1.017","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122991","18.662","0.015","10.727","0.009","11.793","0.01","90","","119.34","0.05","90","","2058","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H26 N2 O2 S Si -","- C22 H26 N2 O2 S Si -","- C88 H104 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0994","0.0743","","","0.1586","0.1717","","","","","","1.062","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123111","19.79","0.011","25.183","0.014","6.297","0.004","90","","106.786","0.016","90","","3005","3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H14 N4 Ni -","- C20 H14 N4 Ni -","- C160 H112 N32 Ni8 -","8","2","","Moragas, Toni; Cornella, Josep; Martin, Ruben","Ligand-controlled Regiodivergent Ni-Catalyzed Reductive Carboxylation of Allyl Esters with CO2.","Journal of the American Chemical Society","2014","","","141212124924001","","10.1021/ja509077a","","","0.71073","MoKα","","0.1146","0.0639","","","0.1327","0.159","","","","","","1.065","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123247","6.94","0.0005","32.943","0.002","7.1977","0.0006","90","","92.225","0.002","90","","1644.3","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H20 N4 -","- C21 H20 N4 -","- C84 H80 N16 -","4","1","","Su, Chenliang; Tandiana, Rika; Balapanuru, Janardhan; Tang, Wei; Pareek, Kapil; Nai, Chang Tai; Hayashi, Tamio; Loh, Kian Ping","Tandem catalysis of amines using porous graphene oxide.","Journal of the American Chemical Society","2015","137","2","685","690","10.1021/ja512470t","","","0.71073","MoKα","","0.0295","0.029","","","0.0747","0.0752","","","","","","1.05","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123403","81.353","0.008","11.6324","0.001","17.8269","0.0018","90","","100.173","0.008","90","","16605","3","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H37 Cl2 I O3 P2 Pd -","- C46 H37 Cl2 I O3 P2 Pd -","- C736 H592 Cl32 I16 O48 P32 Pd16 -","16","4","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.56086","AgKα","","0.0426","0.0359","","","0.0769","0.0806","","","","","","1.074","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123631","11.3917","0.0002","16.06981","0.00017","9.85692","0.00017","90","","117.86","0.002","90","","1595.28","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0237","0.0237","","","0.0624","0.0624","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123804","46.201","0.006","14.4217","0.0017","35.447","0.004","90","","114.858","0.003","90","","21430","4","101","2","101","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C117 H132 Cl2 Fe2 N P6 S Si2 -","- C117 H132 Cl2 Fe2 N P6 S Si2 -","- C936 H1056 Cl16 Fe16 N8 P48 S8 Si16 -","8","2","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.074","0.0461","","","0.086","0.0943","","","","","","1.008","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4124154","7.092","0.012","21.92","0.04","26.25","0.05","90","","92.31","0.03","90","","4077","13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H25 B10 N Si -","- C13 H25 B10 N Si -","- C104 H200 B80 N8 Si8 -","8","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1506","0.0576","","","0.0875","0.1126","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124185","14.876","0.006","14.79","0.006","7.964","0.003","90","","101.405","0.007","90","","1717.6","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H21 F6 N2 P -","- C17 H21 F6 N2 P -","- C68 H84 F24 N8 P4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0704","0.0489","","","0.0863","0.094","","","","","","0.922","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124381","4.7182","0.0002","17.4672","0.0006","12.9425","0.0005","90","","91.261","0.001","90","","1066.38","0.07","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H10 N12 O2 -","- C4 H10 N12 O2 -","- C16 H40 N48 O8 -","4","1","","Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Layer-by-Layer Stacking of Energetic Salts towards High-Performance Insensitive Energetic Materials.","Journal of the American Chemical Society","2015","","","150814061208001","","10.1021/jacs.5b07852","","","0.71073","MoKα","","0.0261","0.0239","","","0.0672","0.0806","","","","","","1.14","","","","has coordinates","154271","2020-10-21","18:00:00",""
"4124383","20.6868","0.0016","11.4465","0.0009","22.04","0.002","90","","112.338","0.0012","90","","4827.2","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H74 Co3 N6 -","- C45 H65.97 Co2.975 N6 -","- C180 H263.88 Co11.9 N24 -","4","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.0318","0.0292","","","0.0735","0.0743","","","","","","1.022","","","","has coordinates,has disorder","154273","2020-10-21","18:00:00",""
"4124386","14.5269","0.0002","12.30582","0.00014","19.9237","0.0003","90","","113.843","0.0017","90","","3257.69","0.09","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H28 B F9 N P Ru -","- C37 H28 B F9 N P Ru -","- C148 H112 B4 F36 N4 P4 Ru4 -","4","1","","Milner, Lucy M.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Outer-Sphere Electrophilic Fluorination of Organometallic Complexes.","Journal of the American Chemical Society","2015","137","33","10753","10759","10.1021/jacs.5b06547","","","0.7107","MoKα","","0.0261","0.0247","","","0.0497","0.051","","","","","","1.045","","","","has coordinates","154276","2020-10-21","18:00:00",""
"4124393","8.7521","0.0002","26.3644","0.0006","9.3681","0.0002","90","","108.177","0.0014","90","","2053.76","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H31 N Zr -","- C23 H31 N Zr -","- C92 H124 N4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","1.54178","CuKα","","0.0288","0.0246","","","0.0512","0.0523","","","","","","1.011","","","","has coordinates","154279","2020-10-21","18:00:00",""
"4124415","5.827","0.003","18.141","0.006","14.817","0.006","90","","98.777","0.009","90","","1547.9","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.7107","MoKα","","0.0596","0.0565","","","0.1429","0.1442","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124618","14.8368","0.0003","9.9648","0.0002","11.2252","0.0002","90","","97.706","0.0009","90","","1644.61","0.06","150","","150","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C84 H88 N8 -","4","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0366","0.0332","","0.0779","0.0765","0.0779","","","","","","1.0201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124889","39.3342","0.0012","18.0326","0.0005","73.883","0.002","90","","96.068","0.002","90","","52111","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H89 N13 O12 Si -","- C49 H89 N13 O12 Si -","- C1568 H2848 N416 O384 Si32 -","32","8","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.0963","0.0801","","","0.22","0.2401","","","","","","1.032","","","","has coordinates,has disorder","175686","2020-10-21","18:00:00",""
"4125208","27.2669","0.0019","18.0306","0.0004","20.0074","0.0004","90","","95.201","0.007","90","","9795.9","0.8","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H107 Fe3 K N8 O6 -","- C78 H107 Fe3 K N8 O6 -","- C312 H428 Fe12 K4 N32 O24 -","4","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.0744","0.0435","","","0.0709","0.0791","","","","","","0.889","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125226","23.6678","0.0015","21.434","0.0013","9.937","0.0006","90","","96.896","0.002","90","","5004.5","0.5","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H37 B N2 -","- C30 H37 B N2 -","- C240 H296 B8 N16 -","8","2","","Wang, Xinyang; Zhang, Fan; Schellhammer, Karl Sebastian; Machata, Peter; Ortmann, Frank; Cuniberti, Gianaurelio; Fu, Yubin; Hunger, Jens; Tang, Ruizhi; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","Synthesis of NBN-Type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motif.","Journal of the American Chemical Society","2016","138","36","11606","11615","10.1021/jacs.6b04445","","","0.71073","MoKα","","0.0884","0.0395","","","0.0648","0.0747","","","","","","0.836","","","","has coordinates","187902","2020-10-21","18:00:00",""
"4125275","22.2441","0.0016","8.1479","0.0004","20.0331","0.0017","90","","120.67","0.01","90","","3123","0.5","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H52 F N3 O4 -","- C32 H52 F N3 O4 -","- C128 H208 F4 N12 O16 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0247","0.0246","","0.0677","0.0676","0.0677","","","","","","1.0019","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125279","12.518","0.008","7.417","0.004","13.997","0.009","90","","115.009","0.01","90","","1177.7","1.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H20 Cl N O4 -","- C8 H20 Cl N O4 -","- C32 H80 Cl4 N4 O16 -","4","1","","Ye, Heng-Yun; Ge, Jia-Zhen; Tang, Yuan-Yuan; Li, Peng-Fei; Zhang, Yi; You, Yu-Meng; Xiong, Ren-Gen","Molecular Ferroelectric with Most Equivalent Polarization Directions Induced by the Plastic Phase Transition.","Journal of the American Chemical Society","2016","138","40","13175","","10.1021/jacs.6b08817","","","0.71073","MoKα","","0.0572","0.0507","","","0.1156","0.1198","","","","","","1.058","","","","has coordinates","187930","2020-10-21","18:00:00",""
"4125302","8.2753","0.0008","23.637","0.003","15.5395","0.0016","90","","91.454","0.0018","90","","3038.6","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C128 H168 B8 O16 -","8","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0378","0.0352","","","0.089","0.0907","","","","","","1.033","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125316","5.827","0.003","18.141","0.006","14.817","0.006","90","","98.777","0.009","90","","1547.9","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Wang, Xueqiang; Nakajima, Masaki; Serrano, Eloisa; Martin, Ruben","Alkyl Bromides as Mild Hydride Sources in Ni-Catalyzed Hydroamidation of Alkynes with Isocyanates.","Journal of the American Chemical Society","2016","138","48","15531","15534","10.1021/jacs.6b10351","","","0.7107","MoKα","","0.0596","0.0565","","","0.1429","0.1442","","","","","","1.027","","","","has coordinates","189942","2020-10-21","18:00:00",""
"4125486","36.947","0.0018","9.7771","0.0005","38.2483","0.0018","90","","111.093","0.002","90","","12890.9","1.1","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C680 H640 O80 -","20","5","","Darzi, Evan R.; White, Brittany M.; Loventhal, Lance K.; Zakharov, Lev N.; Jasti, Ramesh","An Operationally Simple and Mild Oxidative Homocoupling of Aryl Boronic Esters To Access Conformationally Constrained Macrocycles.","Journal of the American Chemical Society","2017","139","8","3106","3114","10.1021/jacs.6b12658","","","1.54178","CuKα","","0.0753","0.0557","","","0.1448","0.1607","","","","","","1.064","","","","has coordinates","193481","2020-10-21","18:00:00",""
"4125587","17.7729","0.0005","18.5761","0.0006","22.1488","0.0007","90","","103.537","0.001","90","","7109.3","0.4","193","2","193","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C64 H103 Au F6 N O4 P3 Pt S2 -","- C64 H103 Au F6 N O4 P3 Pt S2 -","- C256 H412 Au4 F24 N4 O16 P12 Pt4 S8 -","4","1","","Campos, Jesús","Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.","Journal of the American Chemical Society","2017","139","8","2944","2947","10.1021/jacs.7b00491","","","0.71073","MoKα","","0.0309","0.0288","","","0.0718","0.0731","","","","","","1.022","","","","has coordinates,has disorder","193487","2020-10-21","18:00:00",""
"4125622","13.92506","0.00015","7.62053","0.00008","22.4351","0.0002","90","","90.4854","0.0009","90","","2380.65","0.04","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16 H16 O -","- C16 H16 O -","- C128 H128 O8 -","8","2","","Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C","Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.","Journal of the American Chemical Society","2017","139","1","245","254","10.1021/jacs.6b10018","","x-ray","1.54178","CuKα","","0.036","0.0356","","","0.093","0.0932","","","","","","1.042","","","","has coordinates","193025","2020-10-21","18:00:00",""
"4126009","15.3166","0.0009","8.8618","0.0004","14.4531","0.0007","90","","98.44","0.002","90","","1940.51","0.17","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H20 Fe K N8 O2 -","- C12 H20 Fe K N8 O2 -","- C48 H80 Fe4 K4 N32 O8 -","4","1","","Xu, Wei-Jian; Li, Peng-Fei; Tang, Yuan-Yuan; Zhang, Wei-Xiong; Xiong, Ren-Gen; Chen, Xiao-Ming","A Molecular Perovskite with Switchable Coordination Bonds for High-Temperature Multiaxial Ferroelectrics.","Journal of the American Chemical Society","2017","139","18","6369","6375","10.1021/jacs.7b01334","","","0.71073","MoKα","","0.0305","0.0284","","","0.0663","0.0685","","","","","","1.045","","","","has coordinates","197443","2020-10-21","18:00:00",""
"4126186","14.912","0.0005","21.0584","0.0007","7.2943","0.0003","90","","101.1","0.002","90","","2247.73","0.14","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","BAD1-BE","","","- C28 H25 B F2 N2 O2 -","- C28 H25 B F2 N2 O2 -","- C112 H100 B4 F8 N8 O8 -","4","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Savoie, Huguette; Flanagan, Keith J.; Sy, Cindy; Sitte, Elisabeth; Telitchko, Maxime; Laquai, Frédéric; Boyle, Ross W.; Senge, Mathias O.","Generation of Triplet Excited States via Photoinduced Electron Transfer in meso-anthra-BODIPY: Fluorogenic Response toward Singlet Oxygen in Solution and in Vitro.","Journal of the American Chemical Society","2017","139","18","6282","6285","10.1021/jacs.7b00551","","x-ray","1.54178","CuKα","","0.0613","0.058","","","0.1602","0.1639","","","","","","1.054","","","","has coordinates,has disorder","197308","2020-10-21","18:00:00",""
"4126203","10.9602","0.0005","13.9583","0.0006","16.7483","0.0007","90","","104.56","0.005","90","","2480","0.2","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H38 Cl3 N O7 Zn -","- C16 H38 Cl3 N O7 Zn -","- C64 H152 Cl12 N4 O28 Zn4 -","4","1","","Li, Wang; He, Chun-Ting; Zeng, Ying; Ji, Cheng-Min; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Crystalline Supramolecular Gyroscope with a Water Molecule as an Ultrasmall Polar Rotator Modulated by Charge-Assisted Hydrogen Bonds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02981","","","0.71073","MoKα","","0.03","0.0267","","","0.0583","0.0601","","","","","","1.019","","","","has coordinates","197714","2020-10-21","18:00:00",""
"4126217","18.65","0.002","15.4996","0.0018","7.5174","0.0009","90","","93.098","0.011","90","","2169.9","0.4","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H22 Co K N2 O3 -","- C24 H22 Co K N2 O3 -","- C96 H88 Co4 K4 N8 O12 -","4","1","","Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella","Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.","Journal of the American Chemical Society","2017","139","25","8628","8638","10.1021/jacs.7b03604","","","0.71073","MoKα","","0.1016","0.0802","","","0.2113","0.2272","","","","","","1.087","","","","has coordinates,has disorder","199579","2020-10-21","18:00:00",""
"4126294","20.6001","0.001","9.5028","0.0004","18.7349","0.0014","90","","121.314","0.0015","90","","3133.3","0.3","103","2","103","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H40 B3 Br4 N O Si2 -","- C22 H40 B3 Br4 N O Si2 -","- C88 H160 B12 Br16 N4 O4 Si8 -","4","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02251","","","0.71073","MoKα","","0.1127","0.0583","","","0.0921","0.1069","","","","","","1.008","","","","has coordinates","198961","2020-10-21","18:00:00",""
"4126382","26.5713","0.0018","12.6213","0.0005","23.1715","0.0017","90","","109.741","0.008","90","","7314.2","0.9","180","0.14","180","0.14","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C83 H71 B Cl2 F4 N O3 Os P3 S2 -","- C83 H71 B Cl2 F4 N O3 Os P3 S2 -","- C332 H284 B4 Cl8 F16 N4 O12 Os4 P12 S8 -","4","1","","Li, Ruihao; Lu, Zhengyu; Cai, Yuanting; Jiang, Feng; Tang, Chun; Chen, Zhixin; Zheng, Jueting; Pi, Jiuchan; Zhang, Rui; Liu, Junyang; Chen, Zhao-Bin; Yang, Yang; Shi, Jia; Hong, Wenjing; Xia, Haiping","Switching of Charge Transport Pathways via Delocalization Changes in Single-molecule Metallacycles Junctions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06400","","x-ray","1.54184","CuKα","","0.0487","0.0414","","","0.0929","0.1026","","","","","","1.053","","","","has coordinates,has disorder","200789","2020-10-21","18:00:00",""
"4126714","10.5952","0.0005","38.7321","0.0017","20.711","0.0011","90","","103.137","0.005","90","","8276.8","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","{[(Boryl)2(C4O4)]Li2(THF)4}","","","- C84 H128 B2 Li2 N4 O11 -","- C84 H115 B2 Li2 N4 O11 -","- C336 H460 B8 Li8 N16 O44 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.1252","0.0883","","","0.2407","0.272","","","","","","1.04","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126794","19.063","0.006","9.464","0.003","16.113","0.005","90","","103.953","0.003","90","","2821.2","1.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H34 Fe N P S -","- C33 H34 Fe N P S -","- C132 H136 Fe4 N4 P4 S4 -","4","1","","Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11416","","","0.71","MoKα","","0.0248","0.0238","","","0.0585","0.0592","","","","","","1.047","","","","has coordinates","203947","2020-10-21","18:00:00",""
"4127130","14.8536","0.0007","19.2068","0.0009","27.2452","0.0013","90","","94.2703","0.0015","90","","7751.2","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","CH-I-305A","","","- C24 H28 F N O -","- C24 H28 F N O -","- C384 H448 F16 N16 O16 -","16","4","","Heinz, Christoph; Lutz, J. Patrick; Simmons, Eric M.; Miller, Michael M.; Ewing, William R.; Doyle, Abigail G.","A Ni-Catalyzed Carbon-Carbon Bond-Forming Reductive Amination.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12212","","","0.71073","MoKα","","0.0634","0.0421","","","0.0931","0.1032","","","","","","1.025","","","","has coordinates","206045","2020-10-21","18:00:00",""
"4127172","10.2002","0.0006","16.0175","0.0008","12.8323","0.0006","90","","105.396","0.006","90","","2021.33","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Xu, Hai; He, Jia; Shi, Jiarong; Tan, Liang; Qiu, Dachuan; Luo, Xiaohua; Li, Yang","Domino Aryne Annulation via Nucleophilic-Ene Process.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01005","","","0.71073","MoKα","","0.0554","0.0433","","","0.1042","0.115","","","","","","1.124","","","","has coordinates","206370","2020-10-21","18:00:00",""
"4127246","17.0954","0.0016","12.4698","0.0012","7.1665","0.0007","90","","98.801","0.001","90","","1509.7","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0455","0.0392","","","0.0919","0.0977","","","","","","1.054","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127270","10.769","0.002","42.392","0.009","21.858","0.005","90","","92.984","0.003","90","","9965","4","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H100 N36 Ni8 O48.5 -","- C48 H100 N36 Ni8 O48.5 -","- C192 H400 N144 Ni32 O194 -","4","1","","Miyake, Ryosuke; Ando, Akira; Ueno, Manami; Muraoka, Takahiro","Formation of Giant and Small Cyclic Complexes from a Flexible Tripeptide Ligand Controlled by Metal Coordination and Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","22","8675","8679","10.1021/jacs.9b01541","","","0.71073","MoKα","","0.1135","0.0712","","","0.1501","0.1681","","","","","","0.996","","","","has coordinates","223196","2020-10-21","18:00:00",""
"4127381","6.576","0.002","24.36","0.008","9.895","0.003","90","","90.107","0.004","90","","1585.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H13 N5 Ni O S4 -","- C11 H13 N5 Ni O S4 -","- C44 H52 N20 Ni4 O4 S16 -","4","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71075","MoKα","","0.0747","0.0466","","","0.0778","0.0847","","","","","","1","","","","has coordinates","220659","2020-10-21","18:00:00",""
"4127441","8.8369","0.0006","34.229","0.002","16.6943","0.0011","90","","101.045","0.002","90","","4956.1","0.6","99.98","","99.98","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H35 N3 -","- C29 H35 N3 -","- C232 H280 N24 -","8","2","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","1.54178","CuKα","","0.032","0.0311","","","0.1029","0.1094","","","","","","1.071","","","","has coordinates","220714","2020-10-21","18:00:00",""
"4127509","15.87","0.003","16.613","0.003","21.508","0.004","90","","102.508","0.002","90","","5536","1.8","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C49 H52 Cu2 F12 N4 P6 -","- C49 H52 Cu2 F12 N4 P6 -","- C196 H208 Cu8 F48 N16 P24 -","4","1","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.0282","0.0257","","","0.0619","0.0631","","","","","","1.008","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127562","13.213","0.002","22.91","0.004","7.9438","0.0012","90","","125.501","0.002","90","","1957.7","0.5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H27 Cl N3 Rh -","- C21 H27 Cl N3 Rh -","- C84 H108 Cl4 N12 Rh4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0255","0.0239","","","0.0485","0.049","","","","","","0.99","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127579","6.6727","0.0001","17.8456","0.0004","12.3622","0.0003","90","","98.4333","0.0007","90","","1456.15","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","KZ3","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","1.54178","CuKα","","0.0225","0.0222","","","0.0548","0.0549","","","","","","1.074","","","","has coordinates","220791","2020-10-21","18:00:00",""
"4127642","62.405","0.005","8.9358","0.0007","8.8712","0.0006","90","","92.947","0.006","90","","4940.4","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H38 I13 N5 Pb4 -","- C9 H38 I13 N5 Pb4 -","- C36 H152 I52 N20 Pb16 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.2447","0.1161","","","0.2277","0.246","","","","4.44","4.44","2.62","","","","has coordinates","220848","2020-10-21","18:00:00",""
"4127723","45.091","0.005","9.0494","0.0015","8.8654","0.001","90","","95.92","0.009","90","","3598.2","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H22 I10 N4 Pb3 -","- C8 H22 I10 N4 Pb3 -","- C32 H88 I40 N16 Pb12 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1867","0.1285","","","0.1663","0.1674","","","","7.96","7.96","5.92","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127726","34.678","0.004","8.7791","0.001","8.7644","0.0009","90","","104.536","0.008","90","","2582.8","0.5","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H16 I7 N3 Pb2 -","- C7 H16 I7 N3 Pb2 -","- C28 H64 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0591","0.0393","","","0.0709","0.0734","","","","1.96","1.96","1.75","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127826","24.279","0.005","14.385","0.003","23.002","0.005","90","","108.768","0.007","90","","7606","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H129 K N16 O P4 Tb -","- C64 H129 K N16 O P4 Tb -","- C256 H516 K4 N64 O4 P16 Tb4 -","4","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0977","0.0576","","","0.1097","0.1283","","","","","","1.026","","","","has coordinates","220998","2020-10-21","18:00:00",""
"4127984","12.1658","0.0005","14.5252","0.0005","14.8017","0.0008","90","","109.073","0.002","90","","2472.03","0.19","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H41 Cl N2 O3 S -","- C22 H41 Cl N2 O3 S -","- C88 H164 Cl4 N8 O12 S4 -","4","1","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.0374","0.035","","","0.0902","0.0916","","","","","","1.036","","","","has coordinates","221126","2020-10-21","18:00:00",""
"4128325","9.5199","0.0002","35.864","0.0007","27.0516","0.0005","90","","90.65","0.002","90","","9235.4","0.3","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H48 Br4 K2 Mn O12 -","- C40 H48 Br4 K2 Mn O12 -","- C320 H384 Br32 K16 Mn8 O96 -","8","2","","Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan","Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.","Journal of the American Chemical Society","2019","141","40","15755","15760","10.1021/jacs.9b08780","","x-ray","1.54184","CuKα","","0.0715","0.0626","","","0.1756","0.18","","","","","","1.077","","","","has coordinates","221448","2020-10-21","18:00:00",""
"4128326","9.418","0.0001","35.5659","0.0003","26.6416","0.0002","90","","91.008","0.001","90","","8922.48","0.14","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H48 Cl4 K2 Mn O12 -","- C40 H48 Cl4 K2 Mn O12 -","- C320 H384 Cl32 K16 Mn8 O96 -","8","2","","Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan","Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.","Journal of the American Chemical Society","2019","141","40","15755","15760","10.1021/jacs.9b08780","","x-ray","1.54184","CuKα","","0.0338","0.0299","","","0.0735","0.0747","","","","","","1.005","","","","has coordinates","221449","2020-10-21","18:00:00",""
"4128336","49.616","0.002","15.5826","0.0007","37.8111","0.0016","90","","106.495","0.002","90","","28030","2","173","2","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C130 H141 F12 Ir4 N16 O16.5 S4 -","- C125 H125.5 F12 Ir4 N13.5 O12.5 S4 -","- C1000 H1004 F96 Ir32 N108 O100 S32 -","8","2","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.046","0.0449","","","0.119","0.1199","","","","","","1.015","","","","has coordinates,has disorder","221459","2020-10-21","18:00:00",""
"4128385","41.3091","0.0013","8.9764","0.0003","8.8719","0.0003","90","","95.0826","0.0018","90","","3276.83","0.19","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Pentylammonium Methylammonium Lead iodide","","","- C11 H34 I7 N3 Pb2 -","- C11 H34 I7 N3 Pb2 -","- C44 H136 I28 N12 Pb8 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0588","0.0421","","","0.1111","0.1194","","","","1.54","1.54","1.42","","","","has coordinates","221506","2020-10-21","18:00:00",""
"4128387","66.269","0.005","8.948","0.0005","8.8839","0.0006","90","","93.179","0.004","90","","5259.8","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Pentylammonium Methylammonium Lead iodide","","","- C13 H46 I13 N5 Pb4 -","- C13 H46 I13 N5 Pb4 -","- C52 H184 I52 N20 Pb16 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.1339","0.0699","","","0.1812","0.2057","","","","1.79","1.79","1.48","","","","has coordinates","221508","2020-10-21","18:00:00",""
"4128388","68.752","0.008","8.9445","0.0009","8.8984","0.0009","90","","93.77","0.005","90","","5460.2","1","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Hexylammonium Methylammonium Lead iodide","","","- C15 H50 I13 N5 Pb4 -","- C15 H50 I13 N5 Pb4 -","- C60 H200 I52 N20 Pb16 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.111","0.0829","","","0.218","0.2263","","","","2.67","2.67","2.32","","","","has coordinates","221509","2020-10-21","18:00:00",""
"4128391","45.3552","0.0008","8.9209","0.0002","8.8062","0.0002","90","","98.2088","0.0008","90","","3526.56","0.13","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Hexylammonium Methylammonium Lead iodide","","","- C13 H38 I7 N3 Pb2 -","- C13 H38 I7 N3 Pb2 -","- C52 H152 I28 N12 Pb8 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0579","0.0443","","","0.1172","0.1242","","","","1.73","1.73","1.63","","","","has coordinates","221512","2020-10-21","18:00:00",""
"4128432","20.0935","0.001","11.1921","0.0006","10.9889","0.0005","90","","116.859","0.002","90","","2204.68","0.19","100","2","100.05","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H29 Cr O4.58 -","- C25 H29 Cr O4.583 -","- C100 H116 Cr4 O18.332 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0366","0.031","","","0.073","0.075","","","","","","1.028","","","","has coordinates,has disorder","221538","2020-10-21","18:00:00",""
"4128589","23.3219","0.0003","9.3633","0.0002","17.7798","0.0004","90","","122.646","0.001","90","","3269.2","0.12","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C39 H45 N3 -","- C39 H45 N3 -","- C156 H180 N12 -","4","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.0304","0.0298","","","0.0749","0.0755","","","","","","1.055","","","","has coordinates","221669","2020-10-21","18:00:00",""
"4129140","10.8231","0.0012","20.891","0.002","7.2837","0.0008","90","","90.103","0.003","90","","1646.9","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C76 H76 F12 N8 O8 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0321","0.029","","","0.0687","0.0701","","","","","","1.038","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129438","15.2365","0.0019","8.3072","0.0007","16.1953","0.0016","90","","96.248","0.008","90","","2037.7","0.4","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H34 B F4 P -","- C19 H34 B F4 P -","- C76 H136 B4 F16 P4 -","4","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0338","0.03","","","0.0714","0.0736","","","","","","1.03","","","","has coordinates","240153","2020-10-21","18:00:00",""
"4130004","15.064","0.002","17.537","0.003","11.077","0.003","90","","126.613","0.002","90","","2348.9","0.8","100","1","99.99","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H25 Cl4 Fe N2 -","- C23 H25 Cl4 Fe N2 -","- C92 H100 Cl16 Fe4 N8 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0321","0.0271","","","0.0465","0.0478","","","","","","1.023","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130040","18.29","0.0004","11.5237","0.0003","13.3929","0.0003","90","","109.359","0.001","90","","2663.2","0.11","100","2","100.03","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H47 N6 P -","- C25 H47 N6 P -","- C100 H188 N24 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0285","0.028","","","0.0779","0.0784","","","","","","1.035","","","","has coordinates","240633","2020-10-21","18:00:00",""
"4130216","15.9092","0.0005","23.258","0.0006","16.4934","0.0005","90","","110.253","0.001","90","","5725.5","0.3","193","2","193","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C60 H70 Al Cl2 N O P2 Pt -","- C60 H70 Al Cl2 N O P2 Pt -","- C240 H280 Al4 Cl8 N4 O4 P8 Pt4 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0227","0.0199","","","0.0424","0.0435","","","","","","1.028","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130268","22.493","0.005","12.072","0.002","22.686","0.005","90","","103.45","0.03","90","","5991","2","173.15","","173.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C64 H58 Au3 B F4 N O0.5 P3 -","- C64 H58 Au3 B F4 N O0.5 P3 -","- C256 H232 Au12 B4 F16 N4 O2 P12 -","4","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0517","0.0498","","","0.117","0.1195","","","","","","1.056","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130875","33.1646","0.0012","16.8051","0.0005","16.116","0.0004","90","","102.709","0.003","90","","8761.9","0.5","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C256 H320 Cl16 Ir16 N32 O40 -","8","2","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","1.54178","CuKα","","0.0896","0.0721","","","0.1705","0.1844","","","","","","1.045","","","","has coordinates","241233","2020-10-21","18:00:00",""
"4130981","17.8415","0.0009","11.2027","0.0006","17.1224","0.0008","90","","109.147","0.001","90","","3233","0.3","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H41 N5 Ni O5 -","- C31 H41 N5 Ni O5 -","- C124 H164 N20 Ni4 O20 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","x-ray","0.71073","MoKα","","0.061","0.0555","","","0.1351","0.1389","","","","","","1.037","","","","has coordinates,has disorder","241301","2020-10-21","18:00:00",""
"4131041","13.718","0.003","5.1398","0.0011","24.816","0.005","90","","102.657","0.006","90","","1707.2","0.6","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O3 Pd -","- C21 H18 N2 O3 Pd -","- C84 H72 N8 O12 Pd4 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.0209","0.0201","","","0.0455","0.0459","","","","","","1.088","","","","has coordinates,has disorder","241349","2020-10-21","18:00:00",""
"4131162","8.50891","0.00008","17.83577","0.00013","15.13048","0.00014","90","","100.464","0.0009","90","","2258.06","0.03","85","2","85","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H24 B F3 N6 Ni P -","- C19 H24 B F3 N6 Ni P -","- C76 H96 B4 F12 N24 Ni4 P4 -","4","1","","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","","","1.54184","CuKα","","0.0269","0.0264","","","0.0667","0.067","","","","","","1.047","","","","has coordinates","241442","2020-10-21","18:00:00",""
"4131194","26.842","0.005","11.4344","0.0019","18.267","0.005","90","","125.656","0.012","90","","4555.5","1.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H67 Cl3 In N2 P Pt -","- C44 H67 Cl3 In N2 P Pt -","- C176 H268 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0216","0.019","","","0.038","0.0389","","","","","","0.807","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131229","18.8866","0.0006","11.3425","0.0005","11.6682","0.0006","90","","128.13","0.002","90","","1966.2","0.16","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H15 F3 Mn N3 O6 S -","- C17 H15 F3 Mn N3 O6 S -","- C68 H60 F12 Mn4 N12 O24 S4 -","4","1","","G, Upendar Reddy; Axthelm, Jörg; Hoffmann, Patrick; Taye, Nandaraj; Gläser, Steve; Görls, Helmar; Hopkins, Samantha L.; Plass, Winfried; Neugebauer, Ute; Bonnet, Sylvestre; Schiller, Alexander","Co-Registered Molecular Logic Gate with a CO-Releasing Molecule Triggered by Light and Peroxide.","Journal of the American Chemical Society","2017","139","14","4991","4994","10.1021/jacs.7b00867","","","0.71073","MoKα","","0.062","0.0574","","","0.1307","0.1324","","","","","","1.126","","","","has coordinates","241483","2020-10-21","18:00:00",""
"4131615","19.1625","0.0006","9.8346","0.0002","10.853","0.0003","90","","103.106","0.002","90","","1992.03","0.09","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0306","0.0292","","","0.0821","0.0838","","","","","","0.997","","","","has coordinates","241791","2020-10-21","18:00:00",""
"4131617","22.2584","0.0014","8.3015","0.0008","12.3291","0.0008","90","","114.434","0.001","90","","2074.1","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 Br N3 O5 -","- C24 H20 Br N3 O5 -","- C96 H80 Br4 N12 O20 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0302","0.0263","","","0.0578","0.0595","","","","","","1.054","","","","has coordinates","241793","2020-10-21","18:00:00",""
"4131663","14.1304","0.0015","14.4105","0.0014","11.1726","0.0012","90","","96.228","0.003","90","","2261.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H34 Mn N2 O2 P -","- C21 H34 Mn N2 O2 P -","- C84 H136 Mn4 N8 O8 P4 -","4","1","","Espinosa-Jalapa, Noel Angel; Kumar, Amit; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis of Cyclic Imides by Acceptorless Dehydrogenative Coupling of Diols and Amines Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2017","139","34","11722","11725","10.1021/jacs.7b08341","","","0.71073","MoKα","","0.0469","0.0367","","","0.0732","0.0777","","","","","","1.012","","","","has coordinates","241836","2020-10-21","18:00:00",""
"4131763","9.914","0.01","16.332","0.014","6.869","0.003","90","","95.66","0.03","90","","1106.8","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H11 Br4 Mn N -","- C4 H11 Br4 Mn N -","- C16 H44 Br16 Mn4 N4 -","4","1","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film.","Journal of the American Chemical Society","2017","139","49","18071","18077","10.1021/jacs.7b10449","","","0.71073","MoKα","","0.0733","0.052","","","0.0774","0.0843","","","","","","0.859","","","","has coordinates","241931","2020-10-21","18:00:00",""
"4131882","10.8594","0.0011","19.4976","0.0016","37.261","0.003","90","","96.961","0.002","90","","7831.2","1.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H39 F4 Ni P -","- C50 H39 F4 Ni P -","- C400 H312 F32 Ni8 P8 -","8","2","","Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke","Nickel-Catalyzed Formation of 1,3-Dienes via a Highly Selective Cross-Tetramerization of Tetrafluoroethylene, Styrenes, Alkynes, and Ethylene.","Journal of the American Chemical Society","2017","139","49","17795","17798","10.1021/jacs.7b12007","","","0.71075","MoKα","","0.1206","0.0733","","","0.0941","0.1057","","","","","","1.006","","","","has coordinates","241976","2020-10-21","18:00:00",""
"4132121","25.058","0.002","13.8613","0.0013","42.523","0.004","90","","91.158","0.0013","90","","14767","2","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C139 H132 Au6 Cl F30 O3 P17 -","- C139 H132 Au6 Cl F30 O3 P17 -","- C556 H528 Au24 Cl4 F120 O12 P68 -","4","1","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0854","0.0798","","","0.1921","0.1949","","","","","","1.098","","","","has coordinates","242164","2020-10-21","18:00:00",""
"4132161","4.2298","0.0002","19.7579","0.0011","12.2515","0.0006","90","","97.8156","0.0018","90","","1014.37","0.09","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","494a","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0389","0.0332","","","0.0775","0.0802","","","","","","1.044","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132204","23.9379","0.001","11.9202","0.0005","15.6551","0.0012","90","","130.05","","90","","3419.5","0.3","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H27.5 Cl2.5 Ir N5 O2 S2 -","- C36 H27.5 Cl2.5 Ir N5 O2 S2 -","- C144 H110 Cl10 Ir4 N20 O8 S8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.021","0.019","","","0.0407","0.0413","","","","","","0.923","","","","has coordinates,has disorder","242228","2020-10-21","18:00:00",""
"4132331","17.481","0.006","13.53","0.005","21.851","0.008","90","","93.37","0.007","90","","5159","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H53 N5 O2 Zn -","- C64 H53 N5 O2 Zn -","- C256 H212 N20 O8 Zn4 -","4","1","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.1585","0.0803","","","0.1303","0.1541","","","","","","1.044","","","","has coordinates","242315","2020-10-21","18:00:00",""
"4132394","49.3776","0.0013","8.489","0.0002","9.448","0.0002","90","","94.9453","0.0013","90","","3945.54","0.16","299","2","299","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H36 I4 N2 O2 Pb -","- C38 H36 I4 N2 O2 Pb -","- C152 H144 I16 N8 O8 Pb4 -","4","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","0.71073","MoKα","","0.0285","0.0238","","","0.0706","0.0739","","","","","","1.087","","","","has coordinates","242373","2020-10-21","18:00:00",""
"4132395","12.4275","0.0003","12.4001","0.0003","48.36","0.0012","90","","95.8609","0.0016","90","","7413.4","0.3","299","","299","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H32 I4 N2 O2 Pb -","- C36 H32 I4 N2 O2 Pb -","- C288 H256 I32 N16 O16 Pb8 -","8","2","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0774","0.068","","","0.175","0.1812","","","","","","1.044","","","","has coordinates","242374","2020-10-21","18:00:00",""
"4132396","12.5228","0.0017","12.4668","0.0017","39.555","0.006","90","","97.668","0.003","90","","6120.1","1.5","296","2","296","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H56 I8 N4 O4 Pb2 -","- C48 H56 I8 N4 O4 Pb2 -","- C192 H224 I32 N16 O16 Pb8 -","4","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","0.71073","MoKα","","0.0414","0.0384","","","0.0891","0.0902","","","","","","1.044","","","","has coordinates","242375","2020-10-21","18:00:00",""
"4132407","22.294","0.007","6.3477","0.0018","18.974","0.005","90","","111.118","0.011","90","","2504.8","1.3","100","","100","","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C16 H26 Au N3 S8 -","- C16 H26 Au N3 S8 -","- C64 H104 Au4 N12 S32 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Bellec, Nathalie; Íñiguez, Jorge; Canadell, Enric; Lorcy, Dominique","Stable Metallic State of a Neutral-Radical Single-Component Conductor at Ambient Pressure.","Journal of the American Chemical Society","2018","140","22","6998","7004","10.1021/jacs.8b03714","","x-ray","0.71073","MoKα","","0.0231","0.0216","","","0.0499","0.0509","","","","","","0.961","","","","has coordinates,has disorder","242395","2020-10-21","18:00:00",""
"4132644","10.983","0.0004","16.5417","0.0007","9.7709","0.0006","90","","102.979","0.001","90","","1729.8","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H20 O6 S -","- C17 H20 O6 S -","- C68 H80 O24 S4 -","4","1","","Huang, Hanchu; Sun, Bohan; Huang, Yingzi; Niu, Jia","Radical Cascade-Triggered Controlled Ring-Opening Polymerization of Macrocyclic Monomers.","Journal of the American Chemical Society","2018","140","33","10402","10406","10.1021/jacs.8b05365","","","1.54178","CuKα","","0.025","0.0248","","","0.0639","0.0642","","","","","","1.019","","","","has coordinates","242591","2020-10-21","18:00:00",""
"4132666","17.02","0.007","12.696","0.005","11.809","0.005","90","","90.977","0.017","90","","2551.4","1.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H41 B Br2 N2 -","- C24 H41 B Br2 N2 -","- C96 H164 B4 Br8 N8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0683","0.06","","","0.1558","0.1599","","","","","","1.113","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132702","25.195","0.005","9.488","0.0019","19.143","0.004","90","","123.74","0.03","90","","3805.4","1.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H49 Na O8 Si2 -","- C40 H49 Na O8 Si2 -","- C160 H196 Na4 O32 Si8 -","4","1","","Xie, Weilong; Park, Sung-Woo; Jung, Hoimin; Kim, Dongwook; Baik, Mu-Hyun; Chang, Sukbok","Conjugate Addition of Perfluoroarenes to α,β-Unsaturated Carbonyls Enabled by an Alkoxide-Hydrosilane System: Implication of a Radical Pathway.","Journal of the American Chemical Society","2018","140","30","9659","9668","10.1021/jacs.8b05744","","","0.7","synchrotron","","0.1112","0.0862","","","0.2409","0.2798","","","","","","1.046","","","","has coordinates,has disorder","242626","2020-10-21","18:00:00",""
"4132787","26.483","0.003","21.984","0.002","20.235","0.002","90","","106.187","0.004","90","","11314","2","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C52 H83 Co F3 N6 O9 S -","- C52 H83 Co F3 N6 O9 S -","- C416 H664 Co8 F24 N48 O72 S8 -","8","2","","Shevick, Sophia L.; Obradors, Carla; Shenvi, Ryan A.","Mechanistic Interrogation of Co/Ni-Dual Catalyzed Hydroarylation.","Journal of the American Chemical Society","2018","140","38","12056","12068","10.1021/jacs.8b06458","","x-ray","0.71073","MoKα","","0.065","0.0413","","","0.0746","0.0826","","","","","","1.01","","","","has coordinates,has disorder","242685","2020-10-21","18:00:00",""
"4132909","16.6835","0.001","13.0751","0.0007","7.3965","0.0005","90","","105.815","0.002","90","","1552.39","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 Br N4 O2 -","- C15 H15 Br N4 O2 -","- C60 H60 Br4 N16 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0438","0.04","","","0.1057","0.1084","","","","","","1.058","","","","has coordinates","242784","2020-10-21","18:00:00",""
"4132978","39.581","0.006","8.9068","0.0018","8.9084","0.0013","90","","90.047","","90","","3140.6","0.9","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H30 I7 N3 Pb2 -","- C10 H30 I7 N3 Pb2 -","- C40 H120 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1168","0.0577","","","0.091","0.0981","","","","1.94","1.94","1.53","","","","has coordinates","242830","2020-10-21","18:00:00",""
"4132979","26.918","0.003","8.7853","0.0007","8.7627","0.0009","90","","92.835","0.009","90","","2069.7","0.4","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H24 I4 N2 Pb -","- C9 H24 I4 N2 Pb -","- C36 H96 I16 N8 Pb4 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.0434","0.0367","","","0.0721","0.0729","","","","2.17","2.17","2.07","","","","has coordinates","242831","2020-10-21","18:00:00",""
"4132980","38.089","0.005","8.9053","0.0018","8.9109","0.0013","90","","90","0.012","90","","3022.5","0.9","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H28 I7 N3 Pb2 -","- C9 H28 I7 N3 Pb2 -","- C36 H112 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1536","0.0647","","","0.1187","0.1267","","","","2.06","2.06","1.41","","","","has coordinates","242832","2020-10-21","18:00:00",""
"4132983","63.186","0.006","8.9126","0.0005","8.9043","0.0008","90","","90.015","0.008","90","","5014.5","0.7","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H40 I13 N5 Pb4 -","- C11 H40 I13 N5 Pb4 -","- C44 H160 I52 N20 Pb16 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1995","0.1224","","","0.2598","0.2744","","","","5.39","5.39","3.8","","","","has coordinates","242835","2020-10-21","18:00:00",""
"4133122","29.162","0.002","37.089","0.003","21.3845","0.0016","90","","128.754","0.002","90","","18037","2","149.93","","149.93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H44 N2 O -","- C34 H44 N2 O -","- C816 H1056 N48 O24 -","24","6","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0702","0.0503","","","0.136","0.1503","","","","","","1.028","","","","has coordinates","242962","2020-10-21","18:00:00",""
"4133149","16.55","0.003","39.66","0.008","7.9623","0.0016","90","","90","0.03","90","","5226.2","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H16 Br3 N Pb -","- C7 H16 Br3 N Pb -","- C112 H256 Br48 N16 Pb16 -","16","4","","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","","0.1588","0.0921","","","0.267","0.3147","","","","","","1.044","","","","has coordinates","242984","2020-10-21","18:00:00",""
"4133701","19.2667","0.0009","11.2967","0.0006","24.8121","0.0012","90","","105.217","0.003","90","","5211","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C49.46 H62.18 B2 F8 Fe N10.73 -","- C49.456 H62.184 B2 F8 Fe N10.728 -","- C197.824 H248.736 B8 F32 Fe4 N42.912 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0558","0.0488","","","0.1299","0.1335","","","","","","1.056","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133722","14.3961","0.0005","14.4414","0.0003","27.9432","0.0007","90","","103.685","0.003","90","","5644.5","0.3","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H40 Si6 -","- C22 H40 Si6 -","- C176 H320 Si48 -","8","2","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.04","0.0355","","","0.0801","0.0827","","","","","","1.027","","","","has coordinates","243431","2020-10-21","18:00:00",""
"4133803","45.6445","0.0004","29.7686","0.0003","41.2098","0.0006","90","","93.5244","0.0011","90","","55888.9","1.1","298.2","","298.2","","","","","","","","","10","C 1 c 1","C -2yc","9","","B12Au12","","- C396.2 H514 Au11.17 B12 Cl11.15 F58.26 N11.15 O12 P11.15 Sb9.71 -","- C396.2 H514 Au11.17 B12 Cl11.15 F58.26 N11.15 O12 P11.15 Sb9.71 -","- C1584.8 H2056 Au44.68 B48 Cl44.6 F233.04 N44.6 O48 P44.6 Sb38.84 -","4","1","","Stauber, Julia M.; Qian, Elaine Anne; Han, Yanxiao; Rheingold, Arnold L.; Král, Petr; Fujita, Daishi; Spokoyny, Alexander M.","An Organometallic Strategy for Assembling Atomically Precise Hybrid Nanomaterials.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10770","","x-ray","0.4934","synchrotron","","0.073","0.0561","","","0.1561","0.1717","","","","","","1.053","","","","has coordinates,has disorder","245333","2020-10-21","18:00:00",""
"4134063","12.0237","0.0003","26.7386","0.0006","16.445","0.0004","90","","108.891","0.003","90","","5002.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H79 N5 O Si8 U2 -","- C28 H79 N5 O Si8 U2 -","- C112 H316 N20 O4 Si32 U8 -","4","1","","Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12804","","x-ray","0.71073","MoKα","","0.0908","0.0901","","","0.2343","0.235","","","","","","1.131","","","","has coordinates","247297","2020-10-21","18:00:00",""
"4134179","14.6017","0.001","10.0834","0.0007","13.3292","0.0008","90","","90.884","0.007","90","","1962.3","0.2","149.9","0.2","149.9","0.2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.0885","0.0554","","","0.0967","0.1102","","","","","","1.017","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134199","52.169","0.006","8.9731","0.0006","8.9417","0.0011","90","","90.073","0.009","90","","4185.8","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.0851","0.0778","","","0.087","0.0872","","","","4.89","4.89","4.59","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134200","52.424","0.01","8.9841","0.0018","8.9429","0.0018","90","","90.15","0.03","90","","4211.9","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.1587","0.0862","","","0.227","0.3164","","","","","","0.993","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134201","52.209","0.006","8.9061","0.0006","8.94","0.0011","90","","90.002","0.009","90","","4156.9","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","1","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","x-ray","0.71073","MoKα","","0.1597","0.1086","","","0.1095","0.1127","","","","5.38","5.38","4.78","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134313","12.5544","0.001","15.5553","0.0011","8.5423","0.0006","90","","102.753","0.008","90","","1627.1","0.2","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","RM681","","","- C18 H14 I N O3 -","- C18 H14 I N O3 -","- C72 H56 I4 N4 O12 -","4","1","","Mayer, Robert J.; Ofial, Armin R.; Mayr, Herbert; Legault, Claude Y.","Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases.","Journal of the American Chemical Society","2020","142","11","5221","5233","10.1021/jacs.9b12998","","","0.71073","MoKα","","0.0328","0.0272","","","0.0395","0.0421","","","","","","1.004","","","","has coordinates","250069","2020-10-21","18:00:00",""
"4134367","16.6714","0.0007","18.9511","0.0008","8.8285","0.0004","90","","96.389","0.002","90","","2772","0.2","112","1","112","1","","","","","","","see text","5","C 1 c 1","C -2yc","9","Lain33_nnBuDiPyNaph","N,N'-(n-butyl)-1,8-di(pyrid-4-ylium)naphtalene bis(hexafluorophosphate)","","- C26 H25 F12 N3 P2 -","- C26 H25 F12 N3 P2 -","- C104 H100 F48 N12 P8 -","4","1","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","1.54178","CuKα","","0.0275","0.0271","","","0.0724","0.0727","","","","","","1.134","","","","has coordinates","249205","2020-10-21","18:00:00",""
"4134469","23.636","0.005","7.7229","0.0016","6.3397","0.0011","90","","94.829","0.011","90","","1153.1","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C60 H52 Cl4 -","4","1","","Xu, Bin; Troian-Gautier, Ludovic; Dykstra, Ryan; Martin, Robert T.; Gutierrez, Osvaldo; Tambar, Uttam K.","Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes.","Journal of the American Chemical Society","2020","142","13","6206","6215","10.1021/jacs.0c00147","","","0.71073","MoKα","","0.0564","0.0424","","","0.0864","0.0888","","","","","","1.01","","","","has coordinates","250058","2020-10-21","18:00:00",""
"4134517","26.339","0.003","15.8633","0.0015","20.316","0.002","90","","125.911","0.002","90","","6875.1","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C73 H42 Au4 Cl10 N4 -","- C73 H42 Au4 Cl10 N4 -","- C292 H168 Au16 Cl40 N16 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0989","0.0648","","","0.1464","0.1656","","","","","","1.05","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134816","33.433","0.007","8.3738","0.0017","8.376","0.0017","90","","104.45","0.03","90","","2270.8","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C28 H88 Br28 N12 Pb8 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.1814","0.0795","","","0.1826","0.2385","","","","","","0.929","","","","has coordinates","251233","2020-10-21","18:00:00",""
"4134820","33.2368","0.0017","8.3841","0.0005","8.3801","0.0004","90","","104.599","0.002","90","","2259.8","0.2","293","2","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C28 H88 Br28 N12 Pb8 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0718","0.0461","","","0.1348","0.1509","","","","","","0.998","","","","has coordinates","251237","2020-10-21","18:00:00",""
"4135074","11.4624","0.0006","33.3828","0.0016","7.3003","0.0004","90","","118.642","0.004","90","","2451.6","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H21 B2 Br2 N -","- C29 H21 B2 Br2 N -","- C116 H84 B8 Br8 N4 -","4","1","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.0401","0.0378","","","0.0964","0.0977","","","","","","1.039","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135614","16.1261","0.0008","24.9525","0.0013","7.565","0.0004","90","","104.358","0.003","90","","2949","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H33 O12 P3 -","- C27 H33 O12 P3 -","- C108 H132 O48 P12 -","4","1","","Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida","Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework.","Journal of the American Chemical Society","2021","143","3","1365","1376","10.1021/jacs.0c10421","","","0.71073","MoKα","","0.0509","0.0391","","","0.0796","0.085","","","","","","1.021","","","","has coordinates","261479","2021-02-04","00:56:54",""
"4135637","30.4743","0.0011","10.2536","0.0004","27.1459","0.001","90","","104.991","0.0019","90","","8193.6","0.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C110 H60 Cl10 O4 -","- C110 H60 Cl10 O4 -","- C440 H240 Cl40 O16 -","4","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.0926","0.0874","","","0.2254","0.231","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","272066","2022-01-16","14:30:57",""
"4300135","10.9365","0.0018","29.86","0.005","10.864","0.0016","90","","118.179","0.01","90","","3127.3","0.9","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","2","","","- C32 H24 Au2 Cl2 N2 P2 -","- C32 H24 Au2 Cl2 N2 P2 -","- C128 H96 Au8 Cl8 N8 P8 -","4","1","","Vincent J. Catalano; Heidi M. Kar; Byron L. Bennett","Gold(I) and Silver(I) Metallocryptates Based on 2,9-Bis(diphenylphosphino)-1,8-naphthyridine","Inorganic Chemistry","2000","39","","121","127","10.1021/ic9908827","","","0.71073","MoKα","","0.0487","0.0446","","","0.1158","0.1181","","","","","","1.055","","","","has coordinates","134573","2020-10-21","18:00:00",""
"4300184","19.8419","0.0013","10.027","0.002","22.417","0.004","90","","96.13","0.02","90","","4434.5","1.2","127","2","127","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H46 Cl9 Fe N4 O Sb -","- C37 H46 Cl9 Fe N4 O Sb -","- C148 H184 Cl36 Fe4 N16 O4 Sb4 -","4","1","","Teresa J. Neal; Seong-Joo Kang; Ilona Turowska-Tyrk; Charles E. Schulz; W. Robert Scheidt","Magnetic Interactions in the High-Spin Iron(III) Oxooctaethylchlorinato Derivative [Fe(oxoOEC)(Cl)] and Its π-Cation Radical [Fe(oxoOEC.)(Cl)]SbCl6","Inorganic Chemistry","2000","39","","872","880","10.1021/ic991052w","","","0.71073","MoKα","","0.0583","0.0411","","0.2061","0.1104","","","","1.045","0.775","0.775","","","","","has coordinates","179039","2020-10-21","18:00:00",""
"4300199","25.305","0.017","16.533","0.011","12.813","0.008","90","","118.79","0.02","90","","4698.2","5.3","","","298","","","","","","","","","7","C 1 c 1","C -2yc","9","tptis","bis(methyltriphenylphosphonium) (cpCl~2~TiO)-undecahydro-closo-dodecaborate (2-)","","- C43 H52 B12 Cl2 O P2 Ti -","- C43 H52 B12 Cl2 O P2 Ti -","- C172 H208 B48 Cl8 O4 P8 Ti4 -","4","1","","Toralf Peymann; Carolyn B. Knobler; M. Frederick Hawthorne","A Study of the Sequential Acid-Catalyzed Hydroxylation of Dodecahydro-closo-Dodecaborate(2-)","Inorganic Chemistry","2000","39","","1163","1170","10.1021/ic991105+","","","","","","","0.0851","","","0.2137","","","","","","","","","","","has coordinates","179039","2020-10-21","18:00:00",""
"4300543","9.456","0.0019","36.66","0.007","6.897","0.0014","90","","114.51","0.03","90","","2175.5","0.8","200","","200","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H25 Cu N3 O3 -","- C24 H25 Cu N3 O3 -","- C96 H100 Cu4 N12 O12 -","4","1","","Heinze, Katja; Reinhart, Anja","Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds, Coordinative Bonds and Covalent Bonds","Inorganic Chemistry","2006","","","","","10.1021/ic0515047","","","","","","","","","","","","","","","","","","","","","has coordinates","179043","2020-10-21","18:00:00",""
"4300699","11.995","0.002","15.022","0.003","7.958","0.0011","90","","98.383","0.004","90","","1418.6","0.4","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H13 Hg I2 N S -","- C9 H13 Hg I2 N S -","- C36 H52 Hg4 I8 N4 S4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300838","6.0394","0.0012","26.524","0.005","23.431","0.005","90","","93.71","0.03","90","","3745.5","1.3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H21 Cl0.5 La N3 O9 P3 -","- C9 H21 Cl0.5 La N3 O9 P3 -","- C72 H168 Cl4 La8 N24 O72 P24 -","8","2","","John A. Groves; Paul A. Wright; Philip Lightfoot","Two Closely Related Lanthanum Phosphonate Frameworks Formed by Anion-Directed Linking of Inorganic Chains","Inorganic Chemistry","2005","44","","1736","1739","10.1021/ic048456v","","","0.71073","MoKα","","0.0874","0.0821","","","0.2114","0.2153","","","","","","1.154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301155","7.892","0.002","16.542","0.003","16.083","0.003","90","","90.48","0.03","90","","2099.6","0.8","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H21 Ba N7 O3 Pd -","- C13 H21 Ba N7 O3 Pd -","- C52 H84 Ba4 N28 O12 Pd4 -","4","1","","Errun Ding; Matthew R. Sturgeon; Aaron Rath; Xuenian Chen; Mark A. Keane; Sheldon G. Shore","Syntheses and Structures of Alkaline Earth-Transition Metal Bimetallic Complexes As Heterogeneous Hydrodechlorination Catalyst Precursors","Inorganic Chemistry","2009","48","","325","330","10.1021/ic801912x","","","0.71073","MoKα","","0.0278","0.027","","","0.0686","0.0687","","","","","","1.094","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301156","7.8934","0.0016","16.53","0.003","16.085","0.003","90","","90.38","0.03","90","","2098.7","0.7","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H21 Ba N7 O3 Pt -","- C13 H21 Ba N7 O3 Pt -","- C52 H84 Ba4 N28 O12 Pt4 -","4","1","","Errun Ding; Matthew R. Sturgeon; Aaron Rath; Xuenian Chen; Mark A. Keane; Sheldon G. Shore","Syntheses and Structures of Alkaline Earth-Transition Metal Bimetallic Complexes As Heterogeneous Hydrodechlorination Catalyst Precursors","Inorganic Chemistry","2009","48","","325","330","10.1021/ic801912x","","","0.71073","MoKα","","0.0385","0.0332","","","0.0694","0.0714","","","","","","1.071","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301363","26.38","0.05","29.954","0.006","19.741","0.004","90","","93.56","0.04","90","","15569","3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C142 H206 Cl16 Mn6 N4 O38 -","- C128 H174 Cl3 Mn6 N3 O38 -","- C512 H696 Cl12 Mn24 N12 O152 -","4","1","","Christos Lampropoulos; Khalil A. Abboud; Theocharis C. Stamatatos; George Christou","A Nontwisted, Ferromagnetically Coupled MnIII3O Triangular Complex from the Use of 2,6-Bis(hydroxymethyl)-p-cresol","Inorganic Chemistry","2009","48","","813","815","10.1021/ic802084h","","","0.71073","MoKα","","0.1732","0.054","","","0.109","0.127","","","","","","0.603","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301454","12.6","0.0011","17.1138","0.0015","12.0952","0.0009","90","","106.098","0.007","90","","2505.9","0.4","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","Guanidinium 4,5-dicyano-1,2,3-triazolate","Guanidinium 4,5-dicyano-1,2,3-triazolate","","- C5 H6 N8 -","- C5 H6 N8 -","- C60 H72 N96 -","12","3","","Margaret-Jane Crawford; Konstantin Karaghiosoff; Thomas M. Klapötke; Franz A. Martin","Synthesis and Characterization of 4,5-Dicyano-2H-1,2,3-triazole and Its Sodium, Ammonium, and Guanidinium Salts","Inorganic Chemistry","2009","48","","1731","1743","10.1021/ic801793p","","","0.71073","MoKα","","0.069","0.0469","","","0.1004","0.1138","","","","","","0.988","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301459","13.5049","0.0012","23.205","0.002","33.414","0.003","90","","91.623","0.006","90","","10467.1","1.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H74 Cl N6 Na O24 V6 -","- C32 H74 Cl N6 Na O24 V6 -","- C256 H592 Cl8 N48 Na8 O192 V48 -","8","2","","Biplab Biswas; Thomas Weyhermüller; Eckhard Bill; Phalguni Chaudhuri","A Magneto-Structural Study of a Hexanuclear (VIV=O)6-Complex and a Tetranuclear Mixed-Valent [VIII2VIV2] Species","Inorganic Chemistry","2009","48","","1524","1532","10.1021/ic8018327","","","0.71073","MoKα","","0.1001","0.0771","","","0.1869","0.2032","","","","","","1.042","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301490","8.747","0.004","21.798","0.009","12.859","0.005","90","","96.273","0.004","90","","2437.1","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H32 B N6 Yb -","- C25 H32 B N6 Yb -","- C100 H128 B4 N24 Yb4 -","4","1","","Fuyan Han; Jie Zhang; Yanan Han; Zhengxing Zhang; Zhenxia Chen; Linhong Weng; Xigeng Zhou","Synthesis of Mixed Cp/TpMe2 Lanthanide Complexes from Lanthanocene Precursors and their Structures and Reactivities","Inorganic Chemistry","2009","48","","1774","1781","10.1021/ic802094q","","","0.71073","MoKα","","0.0373","0.0364","","","0.0898","0.0904","","","","","","1.132","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301491","8.627","0.007","21.432","0.017","12.849","0.01","90","","96.412","0.01","90","","2361","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H32 B Er N6 -","- C25 H32 B Er N6 -","- C100 H128 B4 Er4 N24 -","4","1","","Fuyan Han; Jie Zhang; Yanan Han; Zhengxing Zhang; Zhenxia Chen; Linhong Weng; Xigeng Zhou","Synthesis of Mixed Cp/TpMe2 Lanthanide Complexes from Lanthanocene Precursors and their Structures and Reactivities","Inorganic Chemistry","2009","48","","1774","1781","10.1021/ic802094q","","","0.71073","MoKα","","0.0592","0.0545","","","0.1411","0.1442","","","","","","1.028","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301954","10.933","0.007","8.297","0.005","13.317","0.008","90","","97.919","0.008","90","","1196.5","1.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 H12 Al B5 N2 O10 -","- C3 H12 Al B5 N2 O10 -","- C12 H48 Al4 B20 N8 O40 -","4","1","","Cheng Rong; Zhiwu Yu; Qiang Wang; Shou-Tian Zheng; Chun-Yang Pan; Feng Deng; Guo-Yu Yang","Aluminoborates with Open Frameworks: Syntheses, Structures, and Properties","Inorganic Chemistry","2009","48","","3650","3659","10.1021/ic802124v","","","0.71073","MoKα","","0.0478","0.0384","","","0.0912","0.0982","","","","","","0.937","","","","has coordinates,has disorder","179057","2020-10-21","18:00:00",""
"4302092","9.881","0.0004","17.1466","0.0007","17.3434","0.0008","90","","93.194","0.002","90","","2933.9","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H29 N3 O4 S Si -","- C32 H29 N3 O4 S Si -","- C128 H116 N12 O16 S4 Si4 -","4","1","","Gerardo González-García; Eleuterio Álvarez; Ángel Marcos-Fernández; J. Alfredo Gutiérrez","Hexacoordinated Oligosilanes from a Hexacoordinated Silicon(IV) Complex Containing an O,N,N,O Salen-type and Thiocyanato-N Ligands","Inorganic Chemistry","2009","48","","4231","4238","10.1021/ic8024364","","","0.71073","MoKα","","0.0298","0.0279","","","0.0681","0.0694","","","","","","1.04","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302111","9.3528","0.0013","16.755","0.002","9.3591","0.0013","90","","90.076","0.002","90","","1466.6","0.3","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","Potassium ferrocyanide trihydrate","Potassium hexacyanoferrate(II) Trihydrate","","- C6 H6 Fe K4 N6 O3 -","- C6 H6 Fe K4 N6 O3 -","- C24 H24 Fe4 K16 N24 O12 -","4","1","","Mathew J. Willans; Roderick E. Wasylishen; Robert McDonald","Polymorphism of Potassium Ferrocyanide Trihydrate as Studied by Solid-State Multinuclear NMR Spectroscopy and X-ray Diffraction","Inorganic Chemistry","2009","48","","4342","4353","10.1021/ic802134j","","","0.71073","MoKα","","0.0295","0.0275","","","0.0709","0.0722","","","","","","1.073","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302149","14.1241","0.0004","44.1171","0.0018","21.0763","0.0007","90","","104.696","0.002","90","","12703.3","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H112 Ce3 N48 O80 Re9 -","- C72 H72 Ce3 N48 O80 Re9 -","- C288 H288 Ce12 N192 O320 Re36 -","4","1","","Pierre Thuéry","Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions","Inorganic Chemistry","2009","48","","4497","4513","10.1021/ic900328z","","","0.71073","MoKα","","0.0789","0.0594","","","0.1497","0.1604","","","","","","1.009","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302206","18.917","0.004","10.9062","0.0018","24.231","0.004","90","","104.856","0.004","90","","4832.1","1.5","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","[Mo~2~(NTo)~2~(S~2~P(OEt)~2~)~2~(O~2~CMe)(SBn)(SOMe)]^+^ CF~3~SO~3~^-^","(μ-acetato)(μ-benzyl thiolato)(μ-ethoxythiolato)bis(O,O'-diethyl dithiophosphato)bis(p-tolylimido)dimolybdenum(V) trifluoromethanesulfonate","","- C34 H49 F3 Mo2 N2 O10 P2 S7 -","- C34 H39 F3 Mo2 N2 O10 P2 S7 -","- C136 H156 F12 Mo8 N8 O40 P8 S28 -","4","1","","Chi Minh Tuong; Whitney K. Hammons; Ashley L. Howarth; Kelly E. Lutz; Ackim D. Maduvu; Laura B. Haysley; Brian R. T. Allred; Lenore K. Hoyt; Mark S. Mashuta; Mark E. Noble","Alkylation of a Dimolybdenum SO Bridge, Subsequent Reactions, and Characterization of the Thioperoxide Bridge","Inorganic Chemistry","2009","48","","5027","5038","10.1021/ic9002093","","","0.71073","MoKα","","0.0619","0.0505","","","0.1175","0.1231","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4302430","22.693","0.0004","10.904","0.0002","22.14","0.0004","90","","95.256","0.002","90","","5455.39","0.17","180","","180","","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C89 H127 Gd2 N29 Ni2 O22 W2 -","- C89 H127 Gd2 N29 Ni2 O22 W2 -","- C178 H254 Gd4 N58 Ni4 O44 W4 -","2","0.5","","Jean-Pascal Sutter; Sébastien Dhers; Jean-Pierre Costes; Carine Duhayon; Laure Vendier; Raghunathan Rajamani; S. Ramasesha","Hetero-Metallic {3d-4f-5d} Complexes: Preparation and Magnetic Behavior of Trinuclear [(LMe2Ni-Ln){W(CN)8}] Compounds (Ln = Gd, Tb, Dy, Ho, Er, Y; LMe2= Schiff base) and Variable SMM Characteristics for the Tb Derivative","Inorganic Chemistry","2009","48","","5820","5828","10.1021/ic900003m","","","0.71073","MoKα","","0.026","0.0241","","","0.0564","0.0572","","","","","","1.005","","","","has coordinates,has disorder","179062","2020-10-21","18:00:00",""
"4302518","11.7986","0.0011","12.8736","0.0013","12.4747","0.0012","90","","92.029","0.002","90","","1893.6","0.3","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","[Ni(pmdt)SH](Et4N)","","","- C15 H28 N2 Ni S3 -","- C15 H28 N2 Ni S3 -","- C60 H112 N8 Ni4 S12 -","4","1","","Deguang Huang; Liang Deng; Jibin Sun; R. H. Holm","Cleavage of Ni-(μ2-S)-Ni Bridges in Dinuclear Nickel(II) Dithiolate Pincer Complexes and Related Reactions","Inorganic Chemistry","2009","48","","6159","6166","10.1021/ic900494u","","","0.71073","MoKα","","0.0313","0.0279","","","0.0481","0.0498","","","","","","0.936","","","","has coordinates","179063","2020-10-21","18:00:00",""
"4302519","11.925","0.0019","12.822","0.002","12.559","0.002","90","","92.653","0.002","90","","1918.2","0.5","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","[Pd(pmdt)SH](Et4N)","","","- C15 H28 N2 Pd S3 -","- C15 H28 N2 Pd S3 -","- C60 H112 N8 Pd4 S12 -","4","1","","Deguang Huang; Liang Deng; Jibin Sun; R. H. Holm","Cleavage of Ni-(μ2-S)-Ni Bridges in Dinuclear Nickel(II) Dithiolate Pincer Complexes and Related Reactions","Inorganic Chemistry","2009","48","","6159","6166","10.1021/ic900494u","","","0.71073","MoKα","","0.0167","0.0166","","","0.0413","0.0414","","","","","","1.038","","","","has coordinates","179063","2020-10-21","18:00:00",""
"4302756","9.7695","0.0002","17.079","0.0004","15.4616","0.0004","90","","100.432","0.001","90","","2537.18","0.1","117","2","117","2","","","","","","","","6","C 1 c 1","C -2yc","9","","manganese tetraimidazole 1,5-napthalenedisulfonate","","- C22 H22 Mn N8 O6 S2 -","- C22 H22 Mn N8 O6 S2 -","- C88 H88 Mn4 N32 O24 S8 -","4","1","","Tori Z. Forbes; Slavi C. Sevov","Metal-Organic Frameworks with Direct Transition Metal-Sulfonate Interactions and Charge-Assisted Hydrogen Bonds","Inorganic Chemistry","2009","48","","6873","6878","10.1021/ic9007922","","","0.71073","MoKα","","0.0292","0.0264","","","0.0643","0.0656","","","","","","1.029","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302761","9.7292","0.0003","16.9366","0.0005","15.4101","0.0005","90","","100.521","0.002","90","","2496.58","0.13","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","(Co(Im)4)15NDS","cobalt tetraimidazole 1,5-napthalenedisulfonate","","- C22 H22 Co N8 O6 S2 -","- C22 H22 Co N8 O6 S2 -","- C88 H88 Co4 N32 O24 S8 -","4","1","","Tori Z. Forbes; Slavi C. Sevov","Metal-Organic Frameworks with Direct Transition Metal-Sulfonate Interactions and Charge-Assisted Hydrogen Bonds","Inorganic Chemistry","2009","48","","6873","6878","10.1021/ic9007922","","","0.71073","MoKα","","0.0237","0.0231","","","0.0567","0.0569","","","","","","1.042","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302762","9.6229","0.0003","16.7604","0.0005","15.8224","0.0005","90","","101.639","0.001","90","","2499.42","0.13","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","(Ni(Im)4)15NDS","nickel tetraimidazole 1,5-napthalenedisulfonate","","- C22 H22 N8 Ni O6 S2 -","- C22 H22 N8 Ni O6 S2 -","- C88 H88 N32 Ni4 O24 S8 -","4","1","","Tori Z. Forbes; Slavi C. Sevov","Metal-Organic Frameworks with Direct Transition Metal-Sulfonate Interactions and Charge-Assisted Hydrogen Bonds","Inorganic Chemistry","2009","48","","6873","6878","10.1021/ic9007922","","","0.71073","MoKα","","0.0374","0.0353","","","0.0897","0.0907","","","","","","1.024","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302763","10.2825","0.0006","38.257","0.002","15.3925","0.0008","90","","108.579","0.001","90","","5739.5","0.5","173","2","273","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C52 H78 I2 Li2 N4 O3 Si Sm -","- C52 H78 I2 Li2 N4 O3 Si Sm -","- C208 H312 I8 Li8 N16 O12 Si4 Sm4 -","4","1","","Cheng-Ling Pan; Wan Chen; Shuyan Song; Hongjie Zhang; Xingwei Li","Stabilization of Imidosamarium(III) Cubane by Amidinates","Inorganic Chemistry","2009","48","","6344","6346","10.1021/ic900808f","","","0.71073","MoKα","","0.0545","0.0421","","","0.0857","0.0972","","","","","","1.015","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302845","15.547","0.0008","15.9857","0.0008","14.6976","0.0007","90","","109.363","0.001","90","","3446.2","0.3","100","2","100","2","","","101","","","","","6","C 1 c 1","C -2yc","9","PPN S3N3","","","- C37 H34 N4 O P2 S3 -","- C37 H34 N4 O P2 S3 -","- C148 H136 N16 O4 P8 S12 -","4","1","","René T. Boeré; Tristram Chivers; Tracey L. Roemmele; Heikki M. Tuononen","Electrochemical and Electronic Structure Investigations of the [S3N3]. Radical and Kinetic Modeling of the [S4N4]n/[S3N3]n (n= 0, -1) Interconversion","Inorganic Chemistry","2009","48","","7294","7306","10.1021/ic900742q","","x-ray","0.71073","MoKα","","0.0475","0.0421","","","0.1075","0.1118","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4302954","20.56","0.004","19.738","0.004","13.13","0.003","90","","107.93","0.03","90","","5070","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H36 N8 Na O8 Yb -","- C64 H36 N8 Na O8 Yb -","- C256 H144 N32 Na4 O32 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","","0.0439","0.0316","","","0.0476","0.0509","","","","","","1.078","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4303104","9.002","0.001","18.317","0.001","16.182","0.001","90","","105.66","0.01","90","","2569.2","0.4","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","[ReOCl(L25pa)].H2O","Chloro(2-methylamino)phenolato)(2-methylcarboxylphenolato)(phenyl) phosphine)oxorhenium(V)","","- C27 H22 Cl N O5 P Re -","- C27 H22 Cl N O5 P Re -","- C108 H88 Cl4 N4 O20 P4 Re4 -","4","1","","Ali Barandov; Ulrich Abram","Rhenium(V) Complexes with Pentadentate P,N,O Ligands","Inorganic Chemistry","2009","48","","8072","8074","10.1021/ic901152y","","","0.71073","MoKα","","0.0444","0.0397","","","0.1018","0.104","","","","","","1.029","","","","has coordinates,has disorder","179069","2020-10-21","18:00:00",""
"4303230","13.748","0.003","20.316","0.004","13.03","0.003","90","","99.34","0.03","90","","3591.1","1.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C156 H192 N24 O12 -","12","3","","Abiodun Omokehinde Eseola; Wen Li; Rong Gao; Min Zhang; Xiang Hao; Tongling Liang; Nelson Okpako Obi-Egbedi; Wen-Hua Sun","Syntheses, Structures, and Fluorescent Properties of 2-(1H-Imidazol-2-yl)phenols and Their Neutral Zn(II) Complexes","Inorganic Chemistry","2009","48","","9133","9146","10.1021/ic9008703","","","0.71073","MoKα","","0.1139","0.0685","","","0.129","0.1444","","","","","","1.007","","","","has coordinates,has disorder","179070","2020-10-21","18:00:00",""
"4303350","10.2331","0.0002","18.6257","0.0005","21.2873","0.0006","90","","95.719","0.002","90","","4037.14","0.18","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H35 Mn N11 O4 W -","- C43 H31 Mn N11 O4 W -","- C172 H124 Mn4 N44 O16 W4 -","4","1","","Seok Woo Choi; Dae Won Ryu; Jin Wuk Lee; Jung Hee Yoon; Hyoung Chan Kim; Hyosug Lee; Beong Ki Cho; Chang Seop Hong","One-Dimensional Cyanide-Bridged MnIIIWV Bimetallic Complexes: Metamagnetism, Spontaneous Resolution, and Slow Magnetic Relaxation","Inorganic Chemistry","2009","48","","9066","9068","10.1021/ic901610j","","","0.71073","MoKα","","0.0646","0.0433","","","0.0828","0.0906","","","","","","1.009","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303379","9.0606","0.0005","21.3736","0.0012","12.2031","0.0005","90","","98.033","0.004","90","","2340","0.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H30 F6 N4 P Ru S2 -","- C17 H30 F6 N4 P Ru S2 -","- C68 H120 F24 N16 P4 Ru4 S8 -","4","1","","Carsten Milsmann; Eckhard Bill; Thomas Weyhermüller; Serena DeBeer George; Karl Wieghardt","Electronic Structures of [RuII(cyclam)(Et2dtc)]+, [Ru(cyclam)(tdt)]+, and [Ru(cyclam)(tdt)]2+: An X-ray Absorption Spectroscopic and Computational Study (tdt = toluene-3,4-dithiolate; Et2dtc = N,N-diethyldithiocarbamate(1-))","Inorganic Chemistry","2009","48","","9754","9766","10.1021/ic9011845","","","0.71073","MoKα","","0.0471","0.0356","","","0.0695","0.0733","","","","","","1.048","","","","has coordinates,has disorder","179071","2020-10-21","18:00:00",""
"4303382","26.15","0.004","25.969","0.004","32.829","0.005","90","","95.941","0.004","90","","22174","6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H78 N4 O2 Si2 Sm -","- C52 H78 N4 O2 Si2 Sm -","- C832 H1248 N64 O32 Si32 Sm16 -","16","4","","Shuang Yao; Hoi-Shan Chan; Chi-Keung Lam; Hung Kay Lee","Synthesis, Structure, and Reaction Chemistry of Samarium(II), Europium(II), and Ytterbium(II) Complexes of the Unsymmetrical Benzamidinate Ligand [PhC(NSiMe3)(NC6H3Pri2-2,6)]-","Inorganic Chemistry","2009","48","","9936","9946","10.1021/ic901327m","","","0.71073","MoKα","","0.1263","0.0566","","","0.1105","0.1468","","","","","","1.035","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303408","17.2034","0.0008","15.4286","0.0007","22.934","0.0011","90","","98.398","0.001","90","","6022","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H82 Mn7 N24 Na O16 -","- C34 H82 Mn7 N24 Na O16 -","- C136 H328 Mn28 N96 Na4 O64 -","4","1","","Theocharis C. Stamatatos; Dolos Foguet-Albiol; Katye M. Poole; Wolfgang Wernsdorfer; Khalil A. Abboud; Ted A. O'Brien; George Christou","Spin Maximization from S= 11 to S= 16 in Mn7 Disk-Like Clusters: Spin Frustration Effects and Their Computational Rationalization","Inorganic Chemistry","2009","48","","9831","9845","10.1021/ic901393m","","","0.71073","MoKα","","0.0678","0.0429","","","0.099","0.1113","","","","","","1.002","","","","has coordinates,has disorder","179072","2020-10-21","18:00:00",""
"4303411","25.8867","0.0016","20.2335","0.0006","25.9952","0.0012","90","","110.045","0.006","90","","12790.9","1.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C86 H160 Co Cr7 F8 N O32 -","- C86 H160 Co1.04 Cr7.04 F8 N O32 -","- C344 H640 Co4.16 Cr28.16 F32 N4 O128 -","4","1","","E. Carolina Sañudo; Thomas B. Faust; Christopher A. Muryn; Robin G. Pritchard; Grigore A. Timco; Richard E. P. Winpenny","Proton NMR Study of Cr-Co Heterometallic Wheel Complexes","Inorganic Chemistry","2009","48","","9811","9818","10.1021/ic901418z","","","0.71073","MoKα","","0.129","0.0961","","","0.2631","0.2949","","","","","","1.054","","","","has coordinates,has disorder","179072","2020-10-21","18:00:00",""
"4303415","13.5483","0.0003","29.7894","0.0005","30.3479","0.0006","90","","100.814","0.002","90","","12030.8","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C83 H146 Co Cr7 F8 Na O34 -","- C83 H144 Co1.04 Cr7.04 F8 Na O34 -","- C332 H576 Co4.16 Cr28.16 F32 Na4 O136 -","4","1","","E. Carolina Sañudo; Thomas B. Faust; Christopher A. Muryn; Robin G. Pritchard; Grigore A. Timco; Richard E. P. Winpenny","Proton NMR Study of Cr-Co Heterometallic Wheel Complexes","Inorganic Chemistry","2009","48","","9811","9818","10.1021/ic901418z","","","0.71073","MoKα","","0.0685","0.0575","","","0.1492","0.1626","","","","","","1.113","","","","has coordinates,has disorder","179072","2020-10-21","18:00:00",""
"4303614","18.953","0.003","12.944","0.002","29.403","0.005","90","","99.278","0.004","90","","7119","2","298","2","298","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C25 H40 Cl Cu Fe3 N2 O9 Te -","- C25 H40 Cl Cu Fe3 N2 O9 Te -","- C200 H320 Cl8 Cu8 Fe24 N16 O72 Te8 -","8","2","","Bo-Gaun Chen; Chia-Hua Ho; Chang-Ju Lee; Minghuey Shieh","Copper Halide-Incorporated Tellurium-Iron Carbonyl Complexes: Transformation, Electrochemical Properties, and Theoretical Calculations","Inorganic Chemistry","2009","48","","10757","10768","10.1021/ic901647n","","","0.71073","MoKα","","0.0577","0.0403","","","0.0855","0.0918","","","","","","1.048","","","","has coordinates,has disorder","179074","2020-10-21","18:00:00",""
"4303693","22.5189","0.0005","7.4115","0.0002","12.6984","0.0003","90","","106.815","0.0011","90","","2028.73","0.09","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H14 F10 I0.0784 N3 O3.6864 Re0.9216 -","- C17 H14 F10 I0.0784 N3 O3.6864 Re0.9216 -","- C68 H56 F40 I0.3136 N12 O14.7456 Re3.6864 -","4","1","","Yuee Feng; Joel Aponte; Paul J. Houseworth; Paul D. Boyle; Elon A. Ison","Synthesis of Oxorhenium(V) Complexes with Diamido Amine Ancillary Ligands and Their Role in Oxygen Atom Transfer Catalysis","Inorganic Chemistry","2009","48","","11058","11066","10.1021/ic901434u","","","0.71073","MoKα","","0.0407","0.0311","","","0.0625","0.0807","","","","","","1.085","","","","has coordinates,has disorder","179074","2020-10-21","18:00:00",""
"4303712","16.105","0.008","12.486","0.007","24.603","0.013","90","","108.52","0.03","90","","4691","4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H54 N4 Zn -","- C58 H54 N4 Zn -","- C232 H216 N16 Zn4 -","4","1","","Clara S. B. Gomes; Pedro T. Gomes; M. Teresa Duarte; Roberto E. Di Paolo; António L. Maçanita; Maria José Calhorda","Synthesis, Structure, and Photophysical Characterization of Blue-Green Luminescent Zinc Complexes Containing 2-Iminophenanthropyrrolyl Ligands","Inorganic Chemistry","2009","48","","11176","11186","10.1021/ic901519s","","x-ray","0.71073","MoKα","","0.3027","0.0898","","","0.171","0.225","","","","","","0.835","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4304270","19.88","0.002","13.2773","0.0016","14.2533","0.0017","90","","110.957","0.0019","90","","3513.3","0.7","100","0.1","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H30 Cl2 N14 Ni2 O9 -","- C28 H30 Cl2 N14 Ni2 O9 -","- C112 H120 Cl8 N56 Ni8 O36 -","4","1","","Mohammad Habib; Tapan K. Karmakar; Guillem Aromí; Jordi Ribas-Ariño; Hoong-Kun Fun; Suchada Chantrapromma; Swapan K. Chandra","A Versatile Series of Nickel(II) Complexes Derived from Tetradentate Imine/Pyridyl Ligands and Various Pseudohalides: Azide and Cyanate Compared","Inorganic Chemistry","2008","47","","4109","4117","10.1021/ic701754u","","","0.71073","MoKα","","0.0944","0.0682","","","0.1718","0.1964","","","","","","1.046","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304274","19.6226","0.0003","13.3588","0.0003","14.901","0.0003","90","","111.616","0.001","90","","3631.37","0.13","100","0.1","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H32 Cl2 N10 Ni2 O10 -","- C32 H32 Cl2 N10 Ni2 O10 -","- C128 H128 Cl8 N40 Ni8 O40 -","4","1","","Mohammad Habib; Tapan K. Karmakar; Guillem Aromí; Jordi Ribas-Ariño; Hoong-Kun Fun; Suchada Chantrapromma; Swapan K. Chandra","A Versatile Series of Nickel(II) Complexes Derived from Tetradentate Imine/Pyridyl Ligands and Various Pseudohalides: Azide and Cyanate Compared","Inorganic Chemistry","2008","47","","4109","4117","10.1021/ic701754u","","","0.71073","MoKα","","0.0922","0.0837","","","0.222","0.2342","","","","","","1.083","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304350","21.3127","0.0004","10.0835","0.0003","16.268","0.0003","90","","122.569","0.002","90","","2946.32","0.13","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H31 Br Cl2 N P -","- C30 H31 Br Cl2 N P -","- C120 H124 Br4 Cl8 N4 P4 -","4","1","","Pei-Ying Lee; Lan-Chang Liang","Nickel(II) Complexes Containing Bidentate Amido Phosphine Ligands Derived from α-Iminophosphorus Ylides: Synthesis and Structural Characterization","Inorganic Chemistry","2008","47","","749","758","10.1021/ic701836j","","","0.71073","MoKα","","0.0448","0.038","","","0.0962","0.1219","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304372","11.7034","0.0005","36.114","0.002","9.5959","0.0006","90","","125.764","0.004","90","","3291","0.4","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H33 Cl N5 O5 P Pd -","- C33 H33 Cl N5 O5 P Pd -","- C132 H132 Cl4 N20 O20 P4 Pd4 -","4","1","","José Ruiz; María Dolores Villa; Natalia Cutillas; Concepción de Haro; Delia Bautista; Virtudes Moreno; Laura Valencia","Palladium(II) and Platinum(II) Organometallic Complexes with 4,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine. Antitumor Activity of the Platinum Compounds","Inorganic Chemistry","2008","47","","4490","4505","10.1021/ic701873b","","","0.71073","MoKα","","0.0276","0.0264","","","0.0671","0.0676","","","","","","1.073","","","","has coordinates,has disorder","179081","2020-10-21","18:00:00",""
"4304410","21.078","0.003","28.685","0.004","24.363","0.004","90","","114.93","0.002","90","","13358","3","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","holas20","","","- C71 H106 Fe2 N4 O3 -","- C71 H106 Fe2 N4 O3 -","- C568 H848 Fe16 N32 O24 -","8","2","","Azwana R. Sadique; William W. Brennessel; Patrick L. Holland","Reduction of CO2 to CO Using Low-Coordinate Iron: Formation of a Four-Coordinate Iron Dicarbonyl Complex and a Bridging Carbonate Complex","Inorganic Chemistry","2008","47","","784","786","10.1021/ic701914m","","","0.71073","MoKα","","0.0462","0.0359","","","0.0804","0.0854","","","","","","1.018","","","","has coordinates","179082","2020-10-21","18:00:00",""
"4304419","22.873","0.003","13.937","0.002","26.999","0.004","90","","107.564","0.003","90","","8206","2","165","2","165","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C96 H81 O5 Si5 Ta -","- C96 H81 O5 Si5 Ta -","- C384 H324 O20 Si20 Ta4 -","4","1","","Jamin L. Krinsky; Laura L. Anderson; John Arnold; Robert G. Bergman","Oxygen-Centered Hexatantalum Tetradecaimido Cluster Complexes","Inorganic Chemistry","2008","47","","1053","1066","10.1021/ic701920v","","","0.71073","MoKα","","0.0616","0.0461","","","0.0941","0.0998","","","","","","0.912","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304566","22.114","0.004","16.83","0.003","10.4238","0.0018","90","","105.035","0.003","90","","3746.7","1.2","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H30 Cu3 N10 O17 -","- C30 H30 Cu3 N10 O17 -","- C120 H120 Cu12 N40 O68 -","4","1","","Danfeng Weng; Weihua Mu; Xiangjun Zheng; Decai Fang; Linpei Jin","Hydrothermal In Situ Synthesis and Characterization of Cu(II) Complexes","Inorganic Chemistry","2008","47","","1249","1251","10.1021/ic702107e","","","0.71073","MoKα","","0.0788","0.042","","","0.08","0.0935","","","","","","1.016","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304680","25.724","0.002","15.9015","0.0013","14.1776","0.0011","90","","122.998","0.001","90","","4863.9","0.7","208","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C45 H45 Mn3 N12 Ni O10 -","- C45 H45 Mn3 N12 Ni O10 -","- C180 H180 Mn12 N48 Ni4 O40 -","4","1","","Patrick L. Feng; Christopher C. Beedle; Changhyun Koo; Wolfgang Wernsdorfer; Motohiro Nakano; Stephen Hill; David N. Hendrickson","Heterometallic Integer-Spin Analogues of S=9/2 Mn4 Cubane Single-Molecule Magnets","Inorganic Chemistry","2008","47","","3188","3204","10.1021/ic702241m","","","0.71073","MoKα","","0.0501","0.0411","","","0.0844","0.0884","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304807","18.152","0.004","10.912","0.002","16.325","0.003","90","","92.56","0.03","90","","3230.3","1.1","113","2","113","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C58 H62 Cl4 N8 O23 Zn2 -","- C58 H52 Cl4 N8 O23 Zn2 -","- C116 H104 Cl8 N16 O46 Zn4 -","2","0.5","","Lin Xue; Huan-Huan Wang; Xiao-Jun Wang; Hua Jiang","Modulating Affinities of Di-2-picolylamine (DPA)-Substituted Quinoline Sensors for Zinc Ions by Varying Pendant Ligands","Inorganic Chemistry","2008","47","","4310","4318","10.1021/ic702393z","","x-ray","0.71073","MoKα","","0.0681","0.0558","","","0.1392","0.1477","","","","","","1.024","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304817","9.1","0.002","16.719","0.004","20.994","0.005","90","","98.572","0.004","90","","3158.4","1.3","173.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H30 Mo N P S3 -","- C36 H30 Mo N P S3 -","- C144 H120 Mo4 N4 P4 S12 -","4","1","","Jun-ichi Ito; Yasuhiro Ohki; Masatoshi Iwata; Kazuyuki Tatsumi","Trithio-Chloro Molybdate [MoClS3]-: A Versatile Precursor for Molybdenum Trisulfido Complexes","Inorganic Chemistry","2008","47","","3763","3771","10.1021/ic702397j","","","0.7107","MoKα","","","0.0243","","","","0.0293","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304829","9.6445","0.0019","14.747","0.003","12.31","0.002","90","","108.457","0.005","90","","1660.8","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C7 H15 Cl2 Fe2 N O11 -","- C7 H11 Cl2 Fe2 N O11 -","- C28 H44 Cl8 Fe8 N4 O44 -","4","1","","Donatella Armentano; Teresa F. Mastropietro; Giovanni De Munno; Patrizia Rossi; Francesc Lloret; Miguel Julve","New Extended Magnetic Systems Based on Oxalate and Iron(III) Ions","Inorganic Chemistry","2008","47","","3772","3786","10.1021/ic702403h","","","0.71073","MoKα","","0.0677","0.0665","","","0.2297","0.2316","","","","","","1.105","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304887","8.5707","0.0008","13.9847","0.0014","19.1698","0.0018","90","","97.691","0.002","90","","2277","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H24 Br2 Hg O2 S2 -","- C20 H24 Br2 Hg O2 S2 -","- C80 H96 Br8 Hg4 O8 S8 -","4","1","","So Young Lee; Sunhong Park; Hyun Jee Kim; Jong Hwa Jung; Shim Sung Lee","Ligand- and Anion-Directed Assembly of Exo-Coordinated Mercury(II) Halide Complexes with O2S2-Donor Macrocycles","Inorganic Chemistry","2008","47","","1913","1915","10.1021/ic702496e","","","0.71073","MoKα","","0.0655","0.0385","","","0.0685","0.0789","","","","","","0.929","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304888","8.5589","0.0005","13.9339","0.0007","20.1922","0.0011","90","","96.629","0.001","90","","2392","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H24 Hg I2 O2 S2 -","- C20 H24 Hg I2 O2 S2 -","- C80 H96 Hg4 I8 O8 S8 -","4","1","","So Young Lee; Sunhong Park; Hyun Jee Kim; Jong Hwa Jung; Shim Sung Lee","Ligand- and Anion-Directed Assembly of Exo-Coordinated Mercury(II) Halide Complexes with O2S2-Donor Macrocycles","Inorganic Chemistry","2008","47","","1913","1915","10.1021/ic702496e","","","0.71073","MoKα","","0.0183","0.0173","","","0.0406","0.041","","","","","","0.656","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304987","15.764","0.0008","10.165","0.0005","18.4604","0.0009","90","","94.111","0.001","90","","2950.5","0.3","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H19 F12 N5 Pt -","- C27 H19 F12 N5 Pt -","- C108 H76 F48 N20 Pt4 -","4","1","","Jing-Lin Chen; Chen-Huey Lin; Jian-Hong Chen; Yun Chi; Yuan-Chieh Chiu; Pi-Tai Chou; Cheng-Hsuan Lai; Gene-Hsiang Lee; Arthur J. Carty","Reactions of the (2-Pyridyl) Pyrrolide Platinum(II) Complex Driven by Sterically Encumbered Chelation: A Model for the Reversible Attack of Alcohol at the Coordinated Carbon Monoxide","Inorganic Chemistry","2008","47","","5154","5161","10.1021/ic800117v","","","0.71073","MoKα","","0.0309","0.0277","","","0.0555","0.0568","","","","","","0.919","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304991","39.121","0.006","5.3371","0.0005","20.584","0.003","90","","118.426","0.011","90","","3779.6","1","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H28 Cl6 Cu N2 O2 S6 -","- C32 H28 Cl6 Cu N2 O2 S6 -","- C128 H112 Cl24 Cu4 N8 O8 S24 -","4","1","","Jin-Cai Wu; Shi-Xia Liu; Tony D. Keene; Antonia Neels; Valeriu Mereacre; Annie K. Powell; Silvio Decurtins","Coordination Chemistry of a π-Extended, Rigid and Redox-Active Tetrathiafulvalene-Fused Schiff-Base Ligand","Inorganic Chemistry","2008","47","","3452","3459","10.1021/ic800138x","","","0.71073","MoKα","","0.1447","0.093","","","0.2248","0.2506","","","","","","0.914","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305053","11.2693","0.0007","12.4643","0.0008","18.8585","0.0012","90","","96.271","0.001","90","","2633.1","0.3","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H26 F6 N5 Os P -","- C25 H26 F6 N5 Os P -","- C100 H104 F24 N20 Os4 P4 -","4","1","","Ricardo Cerón-Camacho; David Morales-Morales; Simon Hernández; Ronan Le Lagadec; Alexander D. Ryabov","Easy Access to Bio-Inspired Osmium(II) Complexes through Electrophilic Intramolecular C(sp2)-H Bond Cyclometalation","Inorganic Chemistry","2008","47","","4988","4995","10.1021/ic800251t","","","0.71073","MoKα","","0.0356","0.0278","","","0.0518","0.0534","","","","","","0.88","","","","has coordinates,has disorder","179088","2020-10-21","18:00:00",""
"4305077","21.596","0.008","11.332","0.004","15.887","0.006","90","","101.996","0.006","90","","3803","2","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C27 H26 Cl2 F12 Mn2 N6 O4 S2 -","- C27 H26 Cl2 F12 Mn2 N6 O4 S2 -","- C108 H104 Cl8 F48 Mn8 N24 O16 S8 -","4","1","","Donald J. Darensbourg; Eric B. Frantz","Studies of the Carbon Dioxide and Epoxide Coupling Reaction in the Presence of Fluorinated Manganese(III) Acacen Complexes: Kinetics of Epoxide Ring-Opening","Inorganic Chemistry","2008","47","","4977","4987","10.1021/ic800286p","","","0.71073","MoKα","","0.0635","0.0578","","","0.1507","0.1592","","","","","","1.005","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305212","22.1054","0.0016","13.4737","0.001","14.5452","0.0011","90","","101.014","0.001","90","","4252.4","0.5","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H40 B Cl Co N10 O5 -","- C45 H30 B Cl Co N10 O5 -","- C180 H120 B4 Cl4 Co4 N40 O20 -","4","1","","Sovan Roy; Ashis K. Patra; Shanta Dhar; Akhil R. Chakravarty","Photosensitizer in a Molecular Bowl and its Effect on the DNA-Binding and -Cleavage Activity of 3d-Metal Scorpionates","Inorganic Chemistry","2008","47","","5625","5633","10.1021/ic702508r","","","0.71073","MoKα","","0.0651","0.0473","","","0.1027","0.1119","","","","","","1.035","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305213","22.25","0.011","13.366","0.006","14.372","0.007","90","","100.59","0.008","90","","4201","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C41 H34 B Cl N10 Ni O6 -","- C41 H30 B Cl N10 Ni O6 -","- C164 H120 B4 Cl4 N40 Ni4 O24 -","4","1","","Sovan Roy; Ashis K. Patra; Shanta Dhar; Akhil R. Chakravarty","Photosensitizer in a Molecular Bowl and its Effect on the DNA-Binding and -Cleavage Activity of 3d-Metal Scorpionates","Inorganic Chemistry","2008","47","","5625","5633","10.1021/ic702508r","","","0.71073","MoKα","","0.0864","0.0677","","","0.1597","0.1717","","","","","","1.069","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305214","22.148","0.007","13.415","0.004","14.454","0.005","90","","101.029","0.006","90","","4215","2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C41 H34 B Cl N10 O6 Zn -","- C41 H30 B Cl N10 O6 Zn -","- C164 H120 B4 Cl4 N40 O24 Zn4 -","4","1","","Sovan Roy; Ashis K. Patra; Shanta Dhar; Akhil R. Chakravarty","Photosensitizer in a Molecular Bowl and its Effect on the DNA-Binding and -Cleavage Activity of 3d-Metal Scorpionates","Inorganic Chemistry","2008","47","","5625","5633","10.1021/ic702508r","","","0.71073","MoKα","","0.0934","0.0716","","","0.1577","0.1692","","","","","","1.078","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305351","27.3636","0.0014","14.7274","0.0007","17.3252","0.0008","90","","118.276","0.002","90","","6148.8","0.5","150","","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H35 B Cu N9 O -","- C24.5 H33 B Cu N9 O0.5 -","- C196 H264 B8 Cu8 N72 O4 -","8","2","","Ningfeng Zhao; John C. Bullinger; Michael J. Van Stipdonk; Charlotte L. Stern; David M. Eichhorn","Cyanoscorpionates: Synthesis and Crystallographic Characterization of One-Dimensional Cu(I) Coordination Polymers","Inorganic Chemistry","2008","47","","5945","5950","10.1021/ic8003307","","","0.71073","MoKα","","0.1843","0.0648","","","0.1421","0.2005","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305506","23.2227","0.0013","24.8073","0.0013","8.6427","0.0005","90","","94.679","0.006","90","","4962.4","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","mer,trans-[Monoaquatrichloridobis(indazole)ruthenium(III)]","","- C14 H14 Cl3 N4 O Ru -","- C14 H14 Cl3 N4 O Ru -","- C168 H168 Cl36 N48 O12 Ru12 -","12","3","","Berta Cebrián-Losantos; Erwin Reisner; Christian R. Kowol; Alexander Roller; Sergiu Shova; Vladimir B. Arion; Bernhard K. Keppler","Synthesis and Reactivity of the Aquation Product of the Antitumor Complex trans-[RuIIICl4(indazole)2]-","Inorganic Chemistry","2008","47","","6513","6523","10.1021/ic800506g","","","0.71073","MoKα","","0.055","0.0483","","","0.122","0.125","","","","","","1.064","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305538","8.898","0.003","22.316","0.006","12.599","0.003","90","","91.326","0.003","90","","2501.1","1.2","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H23 Fe2 N O11 P2 -","- C16 H23 Fe2 N O11 P2 -","- C64 H92 Fe8 N4 O44 P8 -","4","1","","Ning Wang; Mei Wang; Tianbiao Liu; Ping Li; Tingting Zhang; Marcetta Y. Darensbourg; Licheng Sun","CO-Migration in the Ligand Substitution Process of the Chelating Diphosphite Diiron Complex (μ-pdt)[Fe(CO)3][Fe(CO){(EtO)2PN(Me)P(OEt)2}]","Inorganic Chemistry","2008","47","","6948","6955","10.1021/ic800525n","","","0.71073","MoKα","","0.0365","0.0322","","","0.0769","0.0793","","","","","","1.052","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305557","22.122","0.002","10.8929","0.0011","7.5251","0.0008","90","","102.619","0.002","90","","1769.5","0.3","243","2","243","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C8 H10 Hg S -","- C8 H10 Hg S -","- C64 H80 Hg8 S8 -","8","2","","Jonathan G. Melnick; Kevin Yurkerwich; Daniela Buccella; Wesley Sattler; Gerard Parkin","Molecular Structures of Thimerosal (Merthiolate) and Other Arylthiolate Mercury Alkyl Compounds","Inorganic Chemistry","2008","47","","6421","6426","10.1021/ic8005426","","","0.71073","MoKα","","0.0279","0.0272","","","0.072","0.0726","","","","","","1.092","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305569","15.665","0.003","17.325","0.004","21.128","0.004","90","","93.04","0.03","90","","5726","2","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[N-methyl-N,N',N'-tris(2-pyridylmethylpropane-1,3-diamine) Mn H2O] (BPh4)2","","- C70 H69 B2 Mn N5 O -","- C70 H67 B2 Mn N5 O -","- C280 H268 B8 Mn4 N20 O4 -","4","1","","Christelle Hureau; Sihem Groni; Régis Guillot; Geneviève Blondin; Carole Duboc; Elodie Anxolabéhère-Mallart","Syntheses, X-ray Structures, Solid State High-Field Electron Paramagnetic Resonance, and Density-Functional Theory Investigations on Chloro and Aqua MnII Mononuclear Complexes with Amino-Pyridine Pentadentate Ligands","Inorganic Chemistry","2008","47","","9238","9247","10.1021/ic800551u","","","0.71073","MoKα","","0.3006","0.1154","","","0.2474","0.3456","","","","","","0.923","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305704","22.7743","0.0003","17.2298","0.0003","27.324","0.0004","90","","101.482","0.001","90","","10507.3","0.3","123","1","123","1","","","","","","","","7","C 1 c 1","C -2yc","9","jfk118","","","- C107.5 H135 Cl7 N2 O2 Pb Pt2 -","- C107.5 H135 Cl7 N2 O2 Pb Pt2 -","- C430 H540 Cl28 N8 O8 Pb4 Pt8 -","4","1","","Jesús Rubén Berenguer; Alvaro Díez; Julio Fernández; Juan Forniés; Ana García; Belén Gil; Elena Lalinde; M. Teresa Moreno","[Pt]2Pb Trinuclear Systems: Impact of the Anionic Platinum Fragment on the Lead Environment and Photoluminescence","Inorganic Chemistry","2008","47","","7703","7716","10.1021/ic8006876","","","0.71073","MoKα","","0.0457","0.0374","","","0.0883","0.0926","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4305748","20.794","0.004","17.507","0.004","27.55","0.006","90","","104.16","0.01","90","","9725","4","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C94 H82 N4 S15 Zn8 -","- C94 H82 N4 S15 Zn8 -","- C376 H328 N16 S60 Zn32 -","4","1","","Jingli Xie","Toward a Facile One-Step Construction of Quantum Dots Containing Zn8S Cores","Inorganic Chemistry","2008","47","","5564","5566","10.1021/ic800721r","","","0.71073","MoKα","","0.1545","0.066","","","0.1426","0.1772","","","","","","0.97","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4305752","20.7213","0.0008","17.4187","0.0006","15.0553","0.0005","90","","104.966","0.001","90","","5249.7","0.3","223","2","223","2","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C45.5 H36.5 Cl7.5 F3 Fe N O5 P2 Pd S -","- C45.5 H36.5 Cl7.5 F3 Fe N O5 P2 Pd S -","- C182 H146 Cl30 F12 Fe4 N4 O20 P8 Pd4 S4 -","4","1","","Peili Teo; L. L. Koh; T. S. Andy Hor","Oligo- and Polymeric PdII and PtII Using Pyridyl Carboxylate Spacers for Topology Control","Inorganic Chemistry","2008","47","","6464","6474","10.1021/ic8007238","","","0.71073","MoKα","","0.1149","0.105","","","0.2661","0.2765","","","","","","1.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4305865","10.838","0.0003","24.3827","0.0007","18.8459","0.0005","90","","99.391","0.002","90","","4913.5","0.2","173","2","173","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C45 H76 Ca N4 O2 Si2 -","- C45 H76 Ca N4 O2 Si2 -","- C180 H304 Ca4 N16 O8 Si8 -","4","1","","Anthony G. M. Barrett; Mark R. Crimmin; Michael S. Hill; Peter B. Hitchcock; Gabriele Kociok-Köhn; Panayiotis A. Procopiou","Triazenide Complexes of the Heavier Alkaline Earths: Synthesis, Characterization, And Suitability for Hydroamination Catalysis","Inorganic Chemistry","2008","47","","7366","7376","10.1021/ic800789x","","x-ray","0.71073","MoKα","","0.0578","0.0441","","","0.0969","0.105","","","","","","1.02","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4306102","17.2034","0.0008","15.4286","0.0007","22.934","0.0011","90","","98.398","0.001","90","","6022","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H82 Mn7 N24 Na O16 -","- C34 H82 Mn7 N24 Na O16 -","- C136 H328 Mn28 N96 Na4 O64 -","4","1","","Theocharis C. Stamatatos; Katye M. Poole; Dolos Foguet-Albiol; Khalil A. Abboud; Ted A. O'Brien; George Christou","Spin Maximization: Switching of the Usual S= 11 State of MnII4MnIII3 Disklike Complexes to the Maximum S= 16","Inorganic Chemistry","2008","47","","6593","6595","10.1021/ic801024d","","","0.71073","MoKα","","0.0678","0.0429","","","0.099","0.1113","","","","","","1.002","","","","has coordinates,has disorder","179099","2020-10-21","18:00:00",""
"4306192","9.6843","0.0019","17.934","0.004","18.418","0.004","90","","94.26","0.03","90","","3190","1.2","193.15","","193.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H28 Cu2 Mo2 N4 O S7 -","- C24 H28 Cu2 Mo2 N4 O S7 -","- C96 H112 Cu8 Mo8 N16 O4 S28 -","4","1","","Zhen-Hong Wei; Hong-Xi Li; Wen-Hua Zhang; Zhi-Gang Ren; Yong Zhang; Jian-Ping Lang; Brendan F. Abrahams","Construction of Symmetric and Asymmetric Mo/S/Cu Clusters from a Cluster Precursor [Et4N]2[(edt)2Mo2S2(μ-S)2] (edt = Ethanedithiolate)","Inorganic Chemistry","2008","47","","10461","10468","10.1021/ic801100g","","","0.71073","MoKα","","0.0236","0.0231","","","0.0532","0.0534","","","","","","1.068","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306435","6.789","0.007","15.487","0.019","16.029","0.016","90","","90","","90","","1685","3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","(OPy)Ti(OPri)Cl2(py)","","","- C14 H18 Cl2 N2 O2 Ti -","- C14 H18 Cl2 N2 O2 Ti -","- C56 H72 Cl8 N8 O8 Ti4 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez; Robin M. Sewell; Todd M. Alam; Sarah K. McIntyre","Stepwise Modification of Titanium Alkoxy Chloride Compounds by Pyridine Carbinol","Inorganic Chemistry","2008","47","","10708","10717","10.1021/ic801249b","","","0.71073","MoKα","","0.0506","0.0485","","","0.1121","0.113","","","","","","1.066","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306531","16.7431","0.001","10.1739","0.0007","7.7513","0.0005","90","","111.645","0.001","90","","1227.27","0.14","243","2","243","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H9 B F2 N2 S -","- C13 H9 B F2 N2 S -","- C52 H36 B4 F8 N8 S4 -","4","1","","Shin Hei Choi; Kibong Kim; June Jeon; Bhupal Meka; Daniela Bucella; Keliang Pang; Snehadrinarayan Khatua; Junseong Lee; David G. Churchill","Optical Effects of S-Oxidation and Mn+ Binding in meso-Thienyl Dipyrrin Systems and of Stepwise Bromination of 4,4-Difluoro-8-(2,5-dibromo-3-thienyl)-4-bora-3a,4a-diaza-s-indacene","Inorganic Chemistry","2008","47","","11071","11083","10.1021/ic801354y","","","0.71073","MoKα","","0.0444","0.0379","","","0.1051","0.1108","","","","","","1.026","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4307010","17.793","0.004","39.817","0.008","10.563","0.002","90","","112.07","0.03","90","","6935","3","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C47 H41 Cu N4.6 O10 S3 -","- C47 H39 Cu N4.6 O10 S3 -","- C188 H156 Cu4 N18.4 O40 S12 -","4","1","","Amir H. Mahmoudkhani; George K. H. Shimizu","Three Guest-Including Coordination Solids from a Single Crystallization: A Discrete Cage and Open-Channel Networks from 1-D Ladders and 1-D Ribbons","Inorganic Chemistry","2007","46","","1593","1602","10.1021/ic0615123","","","0.71073","MoKα","","0.108","0.093","","","0.253","0.273","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4307066","14.567","0.003","26.263","0.002","7.251","0.004","90","","115.94","0.02","90","","2494.6","1.5","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H28 Ba O10 -","- C20 H28 Ba O10 -","- C80 H112 Ba4 O40 -","4","1","","Alberto Albinati; Francesco Faccini; Silvia Gross; Guido Kickelbick; Silvia Rizzato; Alfonso Venzo","New Methacrylate-Functionalized Ba and Ba-Ti Oxoclusters as Potential Nanosized Building Blocks for Inorganic-Organic Hybrid Materials: Synthesis and Characterization","Inorganic Chemistry","2007","46","","3459","3466","10.1021/ic0615630","","","0.71069","MoKα","","0.0877","0.0768","","0.1636","0.1574","","","","1.14","","","","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4307072","40.364","0.0008","8.341","0.0008","18.743","0.001","90","","112.685","0.001","90","","5822.1","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H48 N12 O12 Zn3 -","- C60 H48 N12 O12 Zn3 -","- C240 H192 N48 O48 Zn12 -","4","1","","Ying-Ying Liu; Jian-Fang Ma; Jin Yang; Zhong-Min Su","Syntheses and Characterization of Six Coordination Polymers of Zinc(II) and Cobalt(II) with 1,3,5-Benzenetricarboxylate Anion and Bis(imidazole) Ligands","Inorganic Chemistry","2007","46","","3027","3037","10.1021/ic061575l","","","0.71069","MoKα","","0.0574","0.0411","","","0.0804","0.0859","","","","","","1.031","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4307095","14.174","0.003","6.7095","0.0014","10.095","0.003","90","","127.624","0.016","90","","760.4","0.4","293","","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","dysprosium metaphosphat","","","- Dy O9 P3 -","- Dy O9 P3 -","- Dy4 O36 P12 -","4","1","","Henning A. Höppe; Stefan J. Sedlmaier","Crystal Structures of Incommensurately Modulated Ln(PO3)3 (Ln = Tb-Yb) and Commensurate Gd(PO3)3 and Lu(PO3)3","Inorganic Chemistry","2007","46","","3467","3474","10.1021/ic0616030","","","0.71073","MoKα","","0.1981","0.0574","","","0.0707","0.0921","","","","1.54","1.54","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307096","13.972","0.0013","20.018","0.0016","9.9556","0.0009","90","","127.351","0.006","90","","2213.5","0.4","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","lutetium metaphosphate","","","- Lu O9 P3 -","- Lu O9 P3 -","- Lu12 O108 P36 -","12","3","","Henning A. Höppe; Stefan J. Sedlmaier","Crystal Structures of Incommensurately Modulated Ln(PO3)3 (Ln = Tb-Yb) and Commensurate Gd(PO3)3 and Lu(PO3)3","Inorganic Chemistry","2007","46","","3467","3474","10.1021/ic0616030","","","0.71073","MoKα","","0.0649","0.0417","","","0.0901","0.0966","","","","","","0.9","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4307114","15.6873","0.0013","8.8288","0.0007","18.3278","0.0015","90","","98.424","0.001","90","","2511","0.4","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H18 N6 O18 Pr2 -","- C15 H16 N6 O18 Pr2 -","- C60 H64 N24 O72 Pr8 -","4","1","","Jun Xia; Bin Zhao; Hong-Sheng Wang; Wei Shi; Yue Ma; Hai-Bin Song; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","Two- and Three-Dimensional Lanthanide Complexes: Synthesis, Crystal Structures, and Properties","Inorganic Chemistry","2007","46","","3450","3458","10.1021/ic061620p","","","0.71073","MoKα","","0.0179","0.0174","","","0.0405","0.0406","","","","","","1.034","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4307115","15.648","0.002","8.8089","0.0013","18.303","0.003","90","","98.421","0.002","90","","2495.7","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H18 N6 Nd2 O18 -","- C15 H18 N6 Nd2 O18 -","- C60 H72 N24 Nd8 O72 -","4","1","","Jun Xia; Bin Zhao; Hong-Sheng Wang; Wei Shi; Yue Ma; Hai-Bin Song; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","Two- and Three-Dimensional Lanthanide Complexes: Synthesis, Crystal Structures, and Properties","Inorganic Chemistry","2007","46","","3450","3458","10.1021/ic061620p","","","0.71073","MoKα","","0.0164","0.016","","","0.0356","0.0357","","","","","","1.024","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4307116","15.543","0.003","8.765","0.0015","18.219","0.003","90","","98.372","0.002","90","","2455.6","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H18 N6 O18 Sm2 -","- C15 H16 N6 O18 Sm2 -","- C60 H64 N24 O72 Sm8 -","4","1","","Jun Xia; Bin Zhao; Hong-Sheng Wang; Wei Shi; Yue Ma; Hai-Bin Song; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","Two- and Three-Dimensional Lanthanide Complexes: Synthesis, Crystal Structures, and Properties","Inorganic Chemistry","2007","46","","3450","3458","10.1021/ic061620p","","","0.71073","MoKα","","0.0153","0.0149","","","0.0318","0.0319","","","","","","0.931","","","","has coordinates,has disorder","179109","2020-10-21","18:00:00",""
"4307228","19.5105","0.0014","10.5594","0.0008","25.3401","0.0018","90","","98.448","0.001","90","","5163.9","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","LnPF-2","","- C40 H36 Nd4 O32 S8 -","- C40 H36 Nd4 O32 S8 -","- C160 H144 Nd16 O128 S32 -","4","1","","Felipe Gándara; Alberto García-Cortés; Concepción Cascales; Berta Gómez-Lor; Enrique Gutiérrez-Puebla; Marta Iglesias; Angeles Monge; Natalia Snejko","Rare Earth Arenedisulfonate Metal-Organic Frameworks: An Approach toward Polyhedral Diversity and Variety of Functional Compounds","Inorganic Chemistry","2007","46","","3475","3484","10.1021/ic0617689","","","0.71073","MoKα","","0.0557","0.0406","","","0.0823","0.0866","","","","","","0.993","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4307345","10.185","0.002","22.944","0.006","10.047","0.002","90","","91.516","0.018","90","","2347","0.9","168","2","168","2","","","","","","","","5","C 1 c 1","C -2yc","9","(3) Ti(OPy)2(ONep)2","","","- C22 H34 N2 O4 Ti -","- C22 H34 N2 O4 Ti -","- C88 H136 N8 O16 Ti4 -","4","1","","Timothy J. Boyle; Robin M. Sewell; Leigh Anna M. Ottley; Harry D. Pratt; Christopher J. Quintana; Scott D. Bunge","Controlled Synthesis of a Structurally Characterized Family of Sterically Constrained Heterocyclic Alkoxy-Modified Titanium Alkoxides","Inorganic Chemistry","2007","46","","1825","1835","10.1021/ic0618798","","","0.71073","MoKα","","0.0901","0.0478","","","0.099","0.1166","","","","","","1.013","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307463","18.292","0.003","10.294","0.001","14.626","0.004","90","","105.891","0.017","90","","2648.8","0.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H25 F6 N4 O7 Rh S2 -","- C19 H25 F6 N4 O7 Rh S2 -","- C76 H100 F24 N16 O28 Rh4 S8 -","4","1","","Claudio Pettinari; Riccardo Pettinari; Fabio Marchetti; Alceo Macchioni; Daniele Zuccaccia; Brian W. Skelton; Allan H. White","Synthesis, Reactivity, Spectroscopic Characterization, X-ray Structures, PGSE, and NOE NMR Studies of (η5-C5Me5)-Rhodium and -Iridium Derivatives Containing Bis(pyrazolyl)alkane Ligands","Inorganic Chemistry","2007","46","","896","906","10.1021/ic061928g","","","0.71073","MoKα","","0.0337","0.0274","","","0.0579","0.0598","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4307628","6.5423","","11.4132","","6.5317","","90","","108.788","","90","","461.726","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cu2 S3 Si0.37 Sn0.63 -","- Cu2 S3 Si0.373 Sn0.627 -","- Cu8 S12 Si1.492 Sn2.508 -","4","1","","Alain Lafond; Jason A. Cody; Marc Souilah; Catherine Guillot-Deudon; Ragnar Kiebach; Wolfgang Bensch","Syntheses and X-ray Diffraction, Photochemical, and Optical Characterization of Cu2SixSn1-xS3 (0.4 <=x<= 0.6) for Photovoltaic Applications","Inorganic Chemistry","2007","46","","1502","1506","10.1021/ic0621087","","","0.71069","MoKα","","0.0671","0.0404","","","0.0479","0.0498","","","","","","1.29","","","","has coordinates,has Fobs","179114","2020-10-21","18:00:00",""
"4307660","17.064","0.004","15.3018","0.0003","15.3674","0.0004","90","","93.085","0.0011","90","","4006.8","0.9","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H50 Mo7 N6 O28 -","- C18 H42 Mo7 N6 O28 -","- C72 H168 Mo28 N24 O112 -","4","1","","Violaine Coué; Rémi Dessapt; Martine Bujoli-Doeuff; Michel Evain; Stéphane Jobic","Synthesis, Characterization, and Photochromic Properties of Hybrid Organic-Inorganic Materials Based on Molybdate, DABCO, and Piperazine","Inorganic Chemistry","2007","46","","2824","2835","10.1021/ic0621502","","","0.71069","MoKα","","0.0599","0.0471","","","0.1444","0.1604","","","","2.41","2.41","2.5","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307665","19.821","0.0002","34.3667","0.0005","27.5484","0.0004","90","","89.942","0.001","90","","18765.5","0.4","153","2","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C110 H186 N36 O43 Pd6 S7 -","- C110 H144 N36 O43 Pd6 S7 -","- C440 H576 N144 O172 Pd24 S28 -","4","1","","Kazuhiro Uehara; Ko Kasai; Noritaka Mizuno","Syntheses and Characterizations of Palladium-Based Molecular Triangle/Square Compounds and Hybrid Composites with Polyoxometalates","Inorganic Chemistry","2007","46","","2563","2570","10.1021/ic062156r","","x-ray","0.71073","MoKα","","","0.0676","","","","0.2033","","","","","","0.993","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307879","11.9347","0.0006","20.9972","0.001","20.6604","0.001","90","","104.768","0.001","90","","5006.4","0.4","110","5","110","5","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H27 Eu2 F25 O11 -","- C42 H27 Eu2 F25 O11 -","- C168 H108 Eu8 F100 O44 -","4","1","","Kieran Norton; Thomas J. Emge; John G. Brennan","Lanthanide Compounds with Fluorinated OC6F5 Ligands: Homo- and Heterovalent Complexes of Eu(II) and Eu(III)","Inorganic Chemistry","2007","46","","4060","4066","10.1021/ic062395e","","","0.71073","MoKα","","0.0532","0.0424","","","0.076","0.0796","","","","","","0.963","","","","has coordinates,has disorder","179116","2020-10-21","18:00:00",""
"4307925","18.1991","0.0009","16.9395","0.0006","13.6063","0.0008","90","","112.35","0.004","90","","3879.5","0.3","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H43 Cl2 Cu2 N13 O10 -","- C29 H43 Cl2 Cu2 N13 O10 -","- C116 H172 Cl8 Cu8 N52 O40 -","4","1","","Angelina Prokofieva; Alexander I. Prikhod'ko; Eva Anna Enyedy; Etelka Farkas; Walter Maringgele; Serhiy Demeshko; Sebastian Dechert; Franc Meyer","Oligonuclear Copper Complexes of a Bioinspired Pyrazolate-Bridging Ligand: Synthesis, Structures, and Equilibria in Solution","Inorganic Chemistry","2007","46","","4298","4307","10.1021/ic062434m","","","0.71073","MoKα","","0.0314","0.0287","","","0.0674","0.0682","","","","","","1.001","","","","has coordinates,has disorder","179117","2020-10-21","18:00:00",""
"4308048","28.961","0.001","15.597","0.001","26.911","0.001","90","","113.4","0.01","90","","11156.1","1.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","(PhTe)16 Ag4 Hg6","(PhTe)16 Ag4 Hg6","","- C96 H80 Ag4 Hg6 Te16 -","- C96 H80 Ag4 Hg6 Te16 -","- C384 H320 Ag16 Hg24 Te64 -","4","1","","Davi F. Back; Gelson N. M. de Oliveira; Robert A. Burrow; Ernesto E. Castellano; Ulrich Abram; Ernesto S. Lang","Mercury Bis(phenyltellurolate) as a Precursor for the Synthesis of Binary and Ternary Nanoclusters","Inorganic Chemistry","2007","46","","2356","2358","10.1021/ic070006q","","x-ray","0.71073","MoKα","","0.0689","0.06","","","0.1651","0.1764","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308185","7.429","0.005","30.728","0.005","8.143","0.005","90","0.005","116.802","0.005","90","0.005","1659.2","1.5","85","2","85","2","","","","","","","","6","C 1 c 1","C -2yc","9","Compound 5 cbab","","","- C12 H14 Cd N4 O7 S -","- C12 H14 Cd N4 O7 S -","- C48 H56 Cd4 N16 O28 S4 -","4","1","","Cory A. Black; Lyall R. Hanton; Mark D. Spicer","Probing Anion-π Interactions in 1-D Co(II), Ni(II), and Cd(II) Coordination Polymers Containing Flexible Pyrazine Ligands","Inorganic Chemistry","2007","46","","3669","3679","10.1021/ic070194k","","","0.71069","MoKα","","0.0184","0.0168","","","0.0357","0.0362","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308304","14.7451","0.0008","10.6645","0.0008","12.2089","0.0008","90","","93.575","0.005","90","","1916.1","0.2","220","2","220","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C12 H16 B Cl Mo N6 O2 S3 -","- C12 H16 B Cl Mo N6 O2 S3 -","- C48 H64 B4 Cl4 Mo4 N24 O8 S12 -","4","1","","Ba L. Tran; Carl J. Carrano","Oxo-Molybdenum(VI,V,IV) Complexes of the Facially Coordinating Tris(mercaptoimidazolyl)borate Ligand: Synthesis, Characterization, and Oxygen Atom Transfer Reactivity","Inorganic Chemistry","2007","46","","5429","5438","10.1021/ic7005259","","","0.71073","MoKα","","0.0484","0.0378","","","0.0849","0.0881","","","","","","0.96","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308356","9.1169","0.0002","25.5635","0.0006","11.4461","0.0002","90","","108.463","0.0013","90","","2530.32","0.09","295","","295","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H29 Cl2 Co N4 O10 -","- C19 H29 Cl2 Co N4 O10 -","- C76 H116 Cl8 Co4 N16 O40 -","4","1","","Zhou, Xiangting; Day, Anthony I.; Edwards, Alison J.; Willis, Anthony C.; Jackson, W. Gregory","Facile C‒H Bond Activation: Synthesis of the N4C Donor Set Pentadentate Ligand 1,4-Bis(2-pyridylmethyl)-1,4-diazacyclononane (dmpdacn) and a Structural Study of Its Alkyl‒Cobalt(III) Complex [Co(dmpdacn-C)(OH2)](ClO4)2·H2O and Its Hydroxylated Derivative [Co(dmpdacnOH-O)Cl](ClO4)2·C3H6O","Inorganic Chemistry","2005","44","2","452","460","10.1021/ic040081q","","","0.71073","MoKα","","","0.0323","","","","0.0386","","","","","","1.0378","","","","has coordinates","210146","2020-10-21","18:00:00",""
"4308363","24.3057","0.001","16.2398","0.0009","15.8639","0.0008","90","","129.082","0.001","90","","4860.7","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H64 As4 Mn3 N16 S10 -","- C16 H64 As4 Mn3 N16 S10 -","- C64 H256 As16 Mn12 N64 S40 -","4","1","","Fu, Ming-Lai; Guo, Guo-Cong; Cai, Li-Zhen; Zhang, Zhang-Jing; Huang, Jin-Shun","Incorporating Transition Metal Complexes into Tetrathioarsenates(V): Syntheses, Structures, and Properties of Two Unprecedented [Mn(dien)2]n[Mn(dien)AsS4]2n·4nH2O and [Mn(en)3]2[Mn(en)2AsS4][As3S6]","Inorganic Chemistry","2005","44","2","184","186","10.1021/ic048579f","","","0.71073","MoKα","","0.1054","0.0663","","","0.15","0.1806","","","","","","1.006","","","","has coordinates","210157","2020-10-21","18:00:00",""
"4308502","10.5108","0.0003","20.2765","0.0007","8.1309","0.0002","90","","102.223","0.002","90","","1693.59","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H20 Co N2 O9 -","- C12 H10 Co N2 O9 -","- C48 H40 Co4 N8 O36 -","4","1","","Xin-Yi Wang; Hai-Yan Wei; Zhe-Ming Wang; Zhi-Da Chen; Song Gao","Formate The Analogue of Azide: Structural and Magnetic Properties of M(HCOO)2(4,4'-bpy).nH2O (M = Mn, Co, Ni; n= 0, 5)","Inorganic Chemistry","2005","44","","572","583","10.1021/ic049170t","","","0.71073","MoKα","","0.0489","0.0352","","","0.0784","0.0811","","","","","","0.998","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308503","10.4815","0.0002","20.0601","0.0004","8.1266","0.0002","90","","102.633","0.009","90","","1667.33","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H20 N2 Ni O9 -","- C12 H20 N2 Ni O9 -","- C48 H80 N8 Ni4 O36 -","4","1","","Xin-Yi Wang; Hai-Yan Wei; Zhe-Ming Wang; Zhi-Da Chen; Song Gao","Formate The Analogue of Azide: Structural and Magnetic Properties of M(HCOO)2(4,4'-bpy).nH2O (M = Mn, Co, Ni; n= 0, 5)","Inorganic Chemistry","2005","44","","572","583","10.1021/ic049170t","","","0.71073","MoKα","","0.0366","0.0268","","","0.0544","0.0562","","","","","","0.959","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308514","18.82","0.03","6.103","0.006","12.151","0.016","90","","105.8","0.17","90","","1343","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","ditechnetium(I)-hexachloro-tetracarbonyl-dinitrosyl","","- C4 Cl4 N2 O6 Tc2 -","- C4 Cl4 N2 O6 Tc2 -","- C16 Cl16 N8 O24 Tc8 -","4","1","","Roger Schibli; Niklaus Marti; Patrick Maurer; Bernhard Spingler; Marie-Line Lehaire; Volker Gramlich; Charles L. Barnes","Syntheses and Characterization of Dicarbonyl-Nitrosyl Complexes of Technetium(I) and Rhenium(I) in Aqueous Media: Spectroscopic, Structural, and DFT Analyses","Inorganic Chemistry","2005","44","","683","690","10.1021/ic049599k","","","1.54178","CuKα","","0.036","0.0355","","","0.086","0.0867","","","","","","1.088","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308641","23.795","0.004","10.8068","0.0016","7.5256","0.0015","90","","107.184","0.01","90","","1848.8","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","[Ni(3MeOsalamo)(H2O)2]","","","- C18 H22 N2 Ni O8 -","- C18 H22 N2 Ni O8 -","- C72 H88 N8 Ni4 O32 -","4","1","","Shigehisa Akine; Tatsuya Nabeshima","Novel Thiosalamo Ligand as a Remarkably Stable N2S2 Salen-Type Chelate and Synthesis of a Nickel(II) Complex","Inorganic Chemistry","2005","44","","1205","1207","10.1021/ic048347g","","","0.71069","MoKα","","0.1549","0.0741","","","0.1612","0.2095","","","","","","1.013","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308647","11.939","0.001","17.053","0.001","15.109","0.001","90","","102.86","0.01","90","","2999","0.4","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C38 H30 O2 P2 -","- C38 H30 O2 P2 -","- C152 H120 O8 P8 -","4","1","","Wolfgang Petz; Christian Kutschera; Maya Heitbaum; Gernot Frenking; Ralf Tonner; Bernhard Neumüller","Experimental and Theoretical Studies of Carbodiphosphorane-CX2 Adducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W)","Inorganic Chemistry","2005","44","","1263","1274","10.1021/ic048397l","","","0.71073","MoKα","","0.0454","0.0353","","","0.0826","0.0873","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308697","18.503","0.003","18.032","0.002","15.808","0.002","90","","96.811","0.002","90","","5237.1","1.2","168","2","168","2","","","","","","","","5","C 1 c 1","C -2yc","9","(14) [Dy(DIP)3(py)3]*(py)","","","- C56 H71 Dy N4 O3 -","- C51 H66 Dy N3 O3 -","- C204 H264 Dy4 N12 O12 -","4","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0601","0.0493","","","0.0998","0.1035","","","","","","0.987","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308829","27.603","0.006","12.948","0.003","24.642","0.005","90","","114.34","0.03","90","","8024","4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C77.5 H77 Au F3 Ir O4 P4 S -","- C77.5 H77 Au F3 Ir O4 P4 S -","- C310 H308 Au4 F12 Ir4 O16 P16 S4 -","4","1","","Markus Brym; Cameron Jones; James D. E. T. Wilton-Ely","Auration, Argentation, and Mercuration Reactions of an Iridaphosphirene","Inorganic Chemistry","2005","44","","3275","3282","10.1021/ic048532u","","","0.71073","MoKα","","0.0665","0.0544","","","0.1324","0.1409","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309324","10.6644","0.0019","21.732","0.004","14.189","0.003","90","","102.815","0.005","90","","3206.5","1.1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H41 Co N6 O7 -","- C30 H41 Co N6 O7 -","- C120 H164 Co4 N24 O28 -","4","1","","Jun Mo Gil; Scott David; Angela L. Reiff; Louis S. Hegedus","Synthesis and Complexation of ""Back-to-Back"" Capped Bis-dioxocyclams","Inorganic Chemistry","2005","44","","5858","5865","10.1021/ic0502731","","","0.71073","MoKα","","0.094","0.0401","","","0.0646","0.0724","","","","","","0.688","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309642","29.858","0.002","11.1802","0.0008","17.2993","0.0012","90","","125.186","0.001","90","","4719.7","0.6","293","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","tetra(5,5-dimethylhydantoinato)aurate","","","- C30 H60 Au Cl N12 Na2 O20 -","- C30 H45 Au Cl N12 Na2 O20 -","- C120 H180 Au4 Cl4 N48 Na8 O80 -","4","1","","Kenichi Oyaizu; Yutaka Ohtani; Asako Shiozawa; Kenji Sugawara; Takashi Saito; Makoto Yuasa","Highly Stable Gold(III) Complex with a Hydantoin Ligand in Alkaline Media","Inorganic Chemistry","2005","44","","6915","6917","10.1021/ic050515x","","","0.71073","MoKα","","0.0471","0.0378","","","0.0932","0.0958","","","","","","1.006","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309753","21.4","0.02","21.68","0.02","14.78","0.02","90","","90","0.03","90","","6857","13","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H108 O20 P4 Re4 U -","- C48 H108 O20 P4 Re4 U -","- C192 H432 O80 P16 Re16 U4 -","4","1","","Gordon H. John; Iain May; Clint A. Sharrad; Andrew D. Sutton; David Collison; Madeleine Helliwell; Mark J. Sarsfield","The Synthesis, Structural, and Spectroscopic Characterization of Uranium(IV) Perrhenate Complexes","Inorganic Chemistry","2005","44","","7606","7615","10.1021/ic0507971","","","0.71069","MoKα","","0.0329","0.0322","","","0.0799","0.0803","","","","","","1.042","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309758","13.67","0.03","16.59","0.02","14.722","0.015","90","","91.88","0.13","90","","3337","9","293","","293","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C29 H39 B Cl Mo N6 O2 P -","- C29 H39 B Cl Mo N6 O2 P -","- C116 H156 B4 Cl4 Mo4 N24 O8 P4 -","4","1","","Victor N. Nemykin; Partha Basu","Oxygen Atom Transfer Reactivity from a Dioxo-Mo(VI) Complex to Tertiary Phosphines: Synthesis, Characterization, and Structure of Phosphoryl Intermediate Complexes","Inorganic Chemistry","2005","44","","7494","7502","10.1021/ic0508324","","","0.71073","MoKα","","0.2369","0.0761","","0.2341","0.1599","0.1599","","","","","","0.9845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309765","19.929","0.009","10.072","0.005","22.51","0.01","90","","116.226","0.007","90","","4053","3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C38 H43 Ge Mn N2 O2 P2 Si2 -","- C38 H43 Ge Mn N2 O2 P2 Si2 -","- C152 H172 Ge4 Mn4 N8 O8 P8 Si8 -","4","1","","Wing-Por Leung; Cheuk-Wai So; Kwok-Wai Kan; Hoi-Shan Chan; Thomas C. W. Mak","Synthesis of a Manganese Germavinylidene Complex from Bis(germavinylidene)","Inorganic Chemistry","2005","44","","7286","7288","10.1021/ic050969u","","","0.71073","MoKα","","0.0416","0.0291","","","0.065","0.0712","","","","","","1.001","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309855","5.187","0.004","9.3113","0.0008","8.847","0.006","90","","100.81","0.03","90","","419.7","0.4","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C2 H7 N S -","- C2 H7 N S -","- C8 H28 N4 S4 -","4","1","","Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer","Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of ZnII, CdII, and HgII with a Small N,S-Donor Ligand","Inorganic Chemistry","2005","44","","8087","8096","10.1021/ic050814m","","","1.54178","CuKα","","0.0513","0.0513","","","0.1338","0.1338","","","","","","1.25","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4309865","11.768","0.004","26.186","0.007","8.497","0.003","90","","92.57","0.03","90","","2615.8","1.5","203","2","203","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H22 F6 Fe N4 O6 S2 -","- C18 H22 F6 Fe N4 O6 S2 -","- C72 H88 F24 Fe4 N16 O24 S8 -","4","1","","George J. P. Britovsek; Jason England; Andrew J. P. White","Non-heme Iron(II) Complexes Containing Tripodal Tetradentate Nitrogen Ligands and Their Application in Alkane Oxidation Catalysis","Inorganic Chemistry","2005","44","","8125","8134","10.1021/ic0509229","","","0.71073","MoKα","","0.0348","0.0293","","","0.0661","0.0683","","","","","","1.018","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309882","19.426","0.007","19.031","0.006","23.78","0.008","90","","102.885","0.008","90","","8570","5","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C78 H62 Br N6 O P3 Te7 W3 -","- C78 H60 Br N6 O P3 Te7 W3 -","- C312 H240 Br4 N24 O4 P12 Te28 W12 -","4","1","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","","0.71073","MoKα","","0.1128","0.0637","","","0.1343","0.1544","","","","","","1.002","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309952","14.254","0.003","52.652","0.013","13.443","0.002","90","","101.065","0.017","90","","9901","4","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C101 H109 Cu2 N24 Ni2 O7 -","- C101 H109 Cu2 N24 Ni2 O7 -","- C404 H436 Cu8 N96 Ni8 O28 -","4","1","","Chang Zhong; Min Zhao; Charlotte Stern; Anthony G. M. Barrett; Brian M. Hoffman","Novel Metal-Linked Face-to-Face Porphyrazine Dimer","Inorganic Chemistry","2005","44","","8272","8276","10.1021/ic050788s","","","0.71073","MoKα","","0.1184","0.0646","","","0.1482","0.1743","","","","","","0.946","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4310044","13.5853","0.0017","13.1522","0.001","13.0116","0.0015","90","","112.213","0.013","90","","2152.3","0.4","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H19 Fe N7 S2 -","- C18 H19 Fe N7 S2 -","- C72 H76 Fe4 N28 S8 -","4","1","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0681","0.0683","","","","","","1.065","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310045","13.726","0.003","13.221","0.003","13.107","0.003","90","","112.32","0.03","90","","2200.3","1","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H19 N7 Ni S2 -","- C18 H19 N7 Ni S2 -","- C72 H76 N28 Ni4 S8 -","4","1","","Nicolas Bréfuel; Christine Lepetit; Sergiu Shova; Françoise Dahan; Jean-Pierre Tuchagues","Complexation to FeII, NiII, and ZnII of Multidentate Ligands Resulting from Condensation of 2-Pyridinecarboxaldehyde with α,ω-Triamines: Selective Imidazolidine/Hexahydropyrimidine Ring Opening Revisited","Inorganic Chemistry","2005","44","","8916","8928","10.1021/ic050791b","","","0.71073","MoKα","","0.0375","0.0343","","","0.0868","0.0883","","","","","","1.036","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310140","10.5774","0.0016","20.901","0.003","14.663","0.002","90","","104.217","0.003","90","","3142.4","0.8","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H50 Co N5 O7 -","- C31 H50 Co N5 O7 -","- C124 H200 Co4 N20 O28 -","4","1","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.0526","0.0462","","","0.1102","0.1132","","","","","","1.028","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310141","10.6644","0.0019","21.732","0.004","14.189","0.003","90","","102.815","0.005","90","","3206.5","1.1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H41 Co N6 O7 -","- C30 H41 Co N6 O7 -","- C120 H164 Co4 N24 O28 -","4","1","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.0843","0.0491","","","0.0955","0.107","","","","","","0.973","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310151","15.857","0.003","16.469","0.003","8.3567","0.0017","90","","115.94","0.03","90","","1962.5","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H20 O13 Y2 -","- C12 H20 O13 Y2 -","- C48 H80 O52 Y8 -","4","1","","Peter Lobinger; Harald Jarzina; Herbert W. Roesky; Sanjay Singh; S. Shravan Kumar; Hans-Georg Schmidt; Matthias Noltemeyer; Herbert C. Freyhardt","New Synthetic Approach to Yttrium Hydroxoacetates, Structural Characterization, and Use as a Precursor for Coated Conductors","Inorganic Chemistry","2005","44","","9192","9196","10.1021/ic0505192","","","0.71073","MoKα","","0.0852","0.0832","","","0.2119","0.2156","","","","","","1.156","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310222","13.489","0.003","13.181","0.003","11.005","0.001","90","0","112.48","0.02","90","0","1808","0.7","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H11 I N6 -","- C17 H11 I N6 -","- C68 H44 I4 N24 -","4","1","","Costanza Bergami; Maria Pia Donzello; Claudio Ercolani; Fabrizio Monicelli; Karl M. Kadish; Corrado Rizzoli","Tetra-2,3-pyrazinoporphyrazines with Externally Appended Pyridine Rings. 3. A New Highly Electron-Deficient Octacationic Macrocycle: Tetrakis-2,3-[5,6-di{2-(N-methyl)pyridiniumyl}pyrazino]porphyrazine, [(2-Mepy)8TPyzPzH2]8+","Inorganic Chemistry","2005","44","","9852","9861","10.1021/ic051084l","","","1.54178","CuKα","","0.061","0.0558","","0.1829","","0.1471","","","1.034","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310749","33.544","0.007","10.027","0.002","28.873","0.006","90","","120.2","0.03","90","","8393","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H55 F12 N6 P2 Rh -","- C34 H55 F12 N6 P2 Rh -","- C272 H440 F96 N48 P16 Rh8 -","8","2","","Elena Mas-Marzá; Macarena Poyatos; Mercedes Sanaú; Eduardo Peris","Carbene Complexes of Rhodium and Iridium from Tripodal N-Heterocyclic Carbene Ligands: Synthesis and Catalytic Properties","Inorganic Chemistry","2004","43","","2213","2219","10.1021/ic035317p","","","0.71073","MoKα","","0.1946","0.0867","","","0.2248","0.323","","","","","","0.952","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310791","9.9464","0.0013","23.685","0.005","7.9491","0.0016","90","","117.677","0.013","90","","1658.4","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H12 Co N4 O4 -","- C19 H12 Co N4 O4 -","- C76 H48 Co4 N16 O16 -","4","1","","Xi-Xue Hu; Ji-Qing Xu; Peng Cheng; Xiao-Yan Chen; Xiao-Bing Cui; Jiang-Feng Song; Guang-Di Yang; Tie-Gang Wang","A New Route for Preparing Coordination Polymers from Hydrothermal Reactions Involving in Situ Ligand Synthesis","Inorganic Chemistry","2004","43","","2261","2266","10.1021/ic0351646","","","0.71073","MoKα","","0.0297","0.0282","","","0.0704","0.0711","","","","","","1.013","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310894","11.849","0.005","21.292","0.007","11.349","0.002","90","","101.91","0.03","90","","2801.6","1.6","293","2","167","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H36 Cl2 Hg N8 O14 -","- C16 H36 Cl2 Hg N8 O14 -","- C64 H144 Cl8 Hg4 N32 O56 -","4","1","","Robert D. Hancock; Joseph H. Reibenspies; Hulisani Maumela","Structural Effects of the Lone Pair on Lead(II), and Parallels with the Coordination Geometry of Mercury(II). Does the Lone Pair on Lead(II) Form H-Bonds? Structures of the Lead(II) and Mercury(II) Complexes of the Pendant-Donor Macrocycle DOTAM (1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane)","Inorganic Chemistry","2004","43","","2981","2987","10.1021/ic030277a","","","0.71073","MoKα","","0.0557","0.0381","","0.1033","0.0878","","","","1.021","1.028","1.028","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310999","23.4805","0.001","10.1588","0.001","23.0055","0.001","90","","105.63","","90","","5284.7","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","MIL84","","","- C112 H80 N16 O128 P16 Pr16 -","- C112 H80 N16 O128 P16 Pr16 -","- C112 H80 N16 O128 P16 Pr16 -","1","0.25","","Christian Serre; Norbert Stock; Thomas Bein; Gérard Férey","Synthesis and Characterization of a New Three-Dimensional Lanthanide Carboxyphosphonate: Ln4(H2O)7[O2C-C5H10N-CH2-PO3]4(H2O)5","Inorganic Chemistry","2004","43","","3159","3163","10.1021/ic035363p","","","0.71073","MoKα","","0.0681","0.0476","","","0.0913","0.0983","","","","","","1.127","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4311106","15.1148","0.0017","27.117","0.003","8.9168","0.001","90","","95.783","0.002","90","","3636.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H48 N4 O16 P4 -","- C27 H39 N4 O16 P4 -","- C108 H156 N16 O64 P16 -","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","","0.1279","0.0771","","","0.2022","0.2371","","","","","","1.033","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311120","6.9226","0.0001","28.1357","0.0005","11.522","0.0002","90","","93.316","0.001","90","","2240.41","0.06","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","silver glutaronitrile cobalt(III) bis(dicarbollide)","","","- C9 H28 Ag B18 Co N2 -","- C9 H28 Ag B18 Co N2 -","- C36 H112 Ag4 B72 Co4 N8 -","4","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.0417","0.0337","","","0.0849","0.0903","","","","","","1.049","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311183","19.652","0.0009","16.8995","0.0007","16.1837","0.0007","90","","100.971","0.005","90","","5276.5","0.4","183","2","183","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H40 As2 N3 O3 Tc -","- C54 H40 As2 N3 O3 Tc -","- C216 H160 As8 N12 O12 Tc4 -","4","1","","Philipp Kurz; Bernhard Spingler; Thomas Fox; Roger Alberto","[TcI(CN)3(CO)3]2- and [ReI(CN)3(CO)3]2-: Case Studies for the Binding Properties of CN- and CO","Inorganic Chemistry","2004","43","","3789","3791","10.1021/ic049774x","","","0.71073","MoKα","","0.0864","0.0583","","","0.1653","0.1809","","","","","","0.946","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311213","24.67","0.04","18.26","0.03","22.58","0.03","90","","104.58","0.05","90","","9844","3","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","(NEt4)2[Ca{OCOC6H3(NHCO-t-Bu)2}4]-2(CH3CN)-Et2O","","- C92 H148 Ca N12 O17 -","- C92 H148 Ca N12 O17 -","- C368 H592 Ca4 N48 O68 -","4","1","","Akira Onoda; Yusuke Yamada; Yoshiki Nakayama; Kazuyuki Takahashi; Hiroshi Adachi; Taka-aki Okamura; Akira Nakamura; Hitoshi Yamamoto; Norikazu Ueyama; Drahomir Vyprachticky; Yoshi Okamoto","Stabilization of Calcium- and Terbium-Carboxylate Bonds by NH...O Hydrogen Bonds in a Mononuclear Complex: A Functional Model of the Active Site of Calcium-Binding Proteins","Inorganic Chemistry","2004","43","","4447","4455","10.1021/ic035075t","","","0.71075","MoKα","","0.1445","0.0563","","","0.0762","0.0831","","","","","","1","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311593","13.981","0.0015","13.0458","0.0015","8.8542","0.001","90","","94.568","0.003","90","","1609.8","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H8 Cu F6 N4 O4 -","- C10 H8 Cu F6 N4 O4 -","- C40 H32 Cu4 F24 N16 O16 -","4","1","","Maurizio Casarin; Carlo Corvaja; Corrado di Nicola; Daniele Falcomer; Lorenzo Franco; Magda Monari; Luciano Pandolfo; Claudio Pettinari; Fabio Piccinelli; Pietro Tagliatesta","Spontaneous Self-Assembly of an Unsymmetric Trinuclear Triangular Copper(II) Pyrazolate Complex, [Cu3(μ3-OH)(μ-pz)3(MeCOO)2(Hpz)] (Hpz = Pyrazole). Synthesis, Experimental and Theoretical Characterization, Reactivity, and Catalytic Activity","Inorganic Chemistry","2004","43","","5865","5876","10.1021/ic049260y","","","0.71073","MoKα","","0.0655","0.0562","","","0.1511","0.1607","","","","","","1.041","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311645","6.7934","0.0015","12.069","0.003","11.895","0.003","90","","91.156","0.004","90","","975.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B4 Ge H4 K2 O11 -","- B4 Ge K2 O11 -","- B16 Ge4 K8 O44 -","4","1","","Hong-Xia Zhang; Jie Zhang; Shou-Tian Zheng; Guo-Ming Wang; Guo-Yu Yang","K2[Ge(B4O9)].2H2O: A Unique 3D Alternating Linkage Mode of a B4O9 Cluster and GeO4 Unit in Borogermanate with Two Pairs of Interweaving Double Helical Channels","Inorganic Chemistry","2004","43","","6148","6150","10.1021/ic049071f","","","0.71073","MoKα","","0.0527","0.0448","","","0.1023","0.1093","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311798","16.552","0.004","11.927","0.003","12.639","0.003","90","","114.011","0.004","90","","2279.2","1","193","2","193","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C13 H30 Br Co N4 O6 S2 -","- C13 H30 Br Co N4 O6 S2 -","- C52 H120 Br4 Co4 N16 O24 S8 -","4","1","","Margaret J. Sisley; Robert McDonald; Robert B. Jordan","Linkage Isomerism, Structure, and Reactivity Studies of Sulfenamide Complexes of Cobalt(III)","Inorganic Chemistry","2004","43","","5339","5350","10.1021/ic0350584","","","0.71073","MoKα","","0.091","0.0627","","","0.1394","0.1537","","","","","","1.02","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311885","7.9426","0.0012","14.724","0.002","7.2916","0.0011","90","","109.526","0.002","90","","803.7","0.2","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(3,5-dichlorophenyl)-formamide","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.0464","0.0427","","","0.1171","0.1216","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311888","28.691","0.014","12.844","0.005","18.647","0.008","90","","90.093","0.011","90","","6872","5","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","(DAniF)4W2(mu-CO)(mu-CNC6H4OCH3),C6H14","","","- C75 H81 N9 O10 W2 -","- C75 H67 N9 O10 W2 -","- C300 H268 N36 O40 W8 -","4","1","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.091","0.0544","","","0.1191","0.1374","","","","","","0.999","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4311916","11.8055","0.0014","24.057","0.003","22.381","0.003","90","","99.901","0.002","90","","6261.6","1.4","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C49 H41 Mo7 N12 Ni2 O30.5 P2 -","- C49 H34 Mo7 N12 Ni2 O30.5 P2 -","- C196 H136 Mo28 N48 Ni8 O122 P8 -","4","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0766","0.0508","","","0.1001","0.1113","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311918","22.8586","0.0011","15.5878","0.0007","17.6793","0.0009","90","","118.701","0.001","90","","5525.4","0.5","150","0.2","150","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H56 Bi3 Cl2 I11 N4 -","- C26 H56 Bi3 Cl2 I11 N4 -","- C104 H224 Bi12 Cl8 I44 N16 -","4","1","","Goforth, Andrea M.; Smith, Mark D.; Peterson, Jr, LeRoy; zur Loye, Hans-Conrad","Preparation and Characterization of Novel Inorganic-Organic Hybrid Materials Containing Rare, Mixed-Halide Anions of Bismuth(III)","Inorganic Chemistry","2004","43","22","7042","7049","10.1021/ic049212d","","","0.71073","MoKα","","0.0367","0.0328","","","0.0687","0.0696","","","","","","0.989","","","","has coordinates","133739","2020-10-21","18:00:00",""
"4312041","26","0.005","26.003","0.005","25.006","0.005","90","","107.42","0.03","90","","16131","6","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C114 H84 Cl10 Mn9 N54 O28 -","- C114 H84 Cl10 Mn9 N54 O28 -","- C456 H336 Cl40 Mn36 N216 O112 -","4","1","","Laurence K. Thompson; Timothy L. Kelly; Louise N. Dawe; Hilde Grove; Martin T. Lemaire; Judith A. K. Howard; Elinor C. Spencer; Craig J. Matthews; Stuart T. Onions; Simon J. Coles; Peter N. Horton; Michael B. Hursthouse; Mark E. Light","Mixed Valence Mn(II)/Mn(III) [3 x 3] Grid Complexes: Structural, Electrochemical, Spectroscopic, and Magnetic Properties","Inorganic Chemistry","2004","43","","7605","7616","10.1021/ic040083a","","","0.71073","MoKα","","0.1549","0.0883","","","0.2065","0.2369","","","","","","0.856","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312082","21.7876","0.0009","25.7171","0.001","33.3343","0.0013","90","","100.73","0.001","90","","18351.1","1.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42.68 H64.72 Br Li N4 O9.64 -","- C42.68 H61.36 Br Li N4 O9.64 -","- C682.88 H981.76 Br16 Li16 N64 O154.24 -","16","4","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Solid-Liquid Extraction of Lithium Halide Salts Using a Ditopic Macrobicyclic Receptor","Inorganic Chemistry","2004","43","","7617","7621","10.1021/ic049066b","","","0.71073","MoKα","","0.0953","0.067","","","0.1783","0.2","","","","","","1.033","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312185","9.203","0.007","32.344","0.001","13.077","0.007","90","","94.39","0.01","90","","3881","4","273.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H45 Cl3 N7 O3 Ru -","- C33 H45 Cl3 N7 O3 Ru -","- C132 H180 Cl12 N28 O12 Ru4 -","4","1","","Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0597","","","","0.1451","","","","","","1.283","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312186","22.457","0.004","23.066","0.006","16.692","0.002","90","","95.99","0.01","90","","8599","3","288.2","","","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C34 H52 Cl F3 N7 O4 Ru S -","- C34 H51 Cl F3 N7 O4 Ru S -","- C272 H408 Cl8 F24 N56 O32 Ru8 S8 -","8","2","","Jitsukawa, Koichiro; Oka, Yoshiyuki; Yamaguchi, Syuhei; Masuda, Hideki","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","25","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0634","","","","0.1748","","","","","","1.064","","","","has coordinates","210303","2020-10-21","18:00:00",""
"4312246","14.0099","0.0005","18.5854","0.0007","20.2378","0.0008","90","","103.401","0.002","90","","5126","0.3","160","2","160","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H76 Ba O5 P2 Si4 -","- C40 H76 Ba O5 P2 Si4 -","- C160 H304 Ba4 O20 P8 Si16 -","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","","0.0309","0.0295","","","0.0627","0.0631","","","","","","1.145","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312570","21.411","0.003","11.1057","0.0015","29.054","0.004","90","","111.138","0.002","90","","6443.7","1.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","02129","","","- C56 H63 Cl4 N13 O17 Zn2 -","- C46 H44 Cl4 N10 O16 Zn2 -","- C184 H176 Cl16 N40 O64 Zn8 -","4","1","","Lei Zhu; Osvaldo dos Santos; Chi Wan Koo; Marc Rybstein; Louise Pape; James W. Canary","Geometry-Dependent Phosphodiester Hydrolysis Catalyzed by Binuclear Copper Complexes","Inorganic Chemistry","2003","42","","7912","7920","10.1021/ic0340985","","","0.71073","MoKα","","0.05","0.0383","","","0.0873","0.0924","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4312626","18.9125","0.0015","20.0232","0.0016","12.5736","0.001","90","","98.115","0.002","90","","4713.8","0.7","113","2","113","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C47 H67 F3 N4 O3 S Ti -","- C47 H67 F3 N4 O3 S Ti -","- C188 H268 F12 N16 O12 S4 Ti4 -","4","1","","Falguni Basuli; John C. Huffman; Daniel J. Mindiola","Reactivity at the β-Diketiminate Ligand Nacnac- on Titanium(IV) (Nacnac- = [Ar]NC(CH3)CHC(CH3)N[Ar], Ar = 2,6-[CH(CH3)2]2C6H3). Diimine-alkoxo and Bis-anilido Ligands Stemming from the Nacnac- Skeleton","Inorganic Chemistry","2003","42","","8003","8010","10.1021/ic034853e","","","0.71073","MoKα","","0.034","0.0304","","","0.0722","0.0742","","","","","","1.005","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312652","13.8219","0.0007","19.9748","0.0011","21.5081","0.0011","90","","100.724","0.001","90","","5834.5","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H68 Fe4 O6 Se8 Yb -","- C48 H68 Fe4 O6 Se8 Yb -","- C192 H272 Fe16 O24 Se32 Yb4 -","4","1","","Anna Kornienko; Louise Huebner; Deborah Freedman; Thomas J. Emge; John G. Brennan","Lanthanide-Transition Metal Chalcogenido Cluster Materials","Inorganic Chemistry","2003","42","","8476","8480","10.1021/ic030204r","","","0.71073","MoKα","","0.0457","0.038","","","0.071","0.0733","","","","","","1.01","","","","has coordinates,has disorder","179165","2020-10-21","18:00:00",""
"4312909","9.2938","0.0004","27.274","0.001","7.0515","0.0003","90","","104.073","0.001","90","","1733.76","0.12","90","1","90","1","","","","","","","","7","C 1 c 1","C -2yc","9","trans-[Ru(II)(NH3)4(CF3COO)(SO2)](CF3COO)(CF3COOH) (1/1/1)","trans-Tetraammine(trifluoroactate)(sulfur dioxide)ruthenium(II) trifluoroacetate trifluoroacetic acid","","- C6 H13 F9 N4 O8 Ru S -","- C6 H13 F9 N4 O8 Ru S -","- C24 H52 F36 N16 O32 Ru4 S4 -","4","1","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Jacqueline M. Cole; Philip Coppens","Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Inorganic Chemistry","2003","42","","140","147","10.1021/ic025997g","","","0.71073","MoKα","","0.0235","0.0223","","","0.0496","0.05","","","","","","1.113","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4312910","9.452","0.0003","27.439","0.0009","6.9231","0.0002","90","","99.918","0.001","90","","1768.7","0.1","90","1","90","1","","","","","","","","7","C 1 c 1","C -2yc","9","trans-[Ru(II)(NH3)4(CF3COO)(SO2)](CF3COO)(CF3COOH) (1/1/1)","trans-Tetraammine(trifluoroactate)(sulfur dioxide)ruthenium(II) trifluoroacetate trifluoroacetic acid","","- C6 H13 F9 N4 O8 Ru S -","- C6 H13 F9 N4 O8 Ru S -","- C24 H52 F36 N16 O32 Ru4 S4 -","4","1","","Andrey Yu. Kovalevsky; Kimberly A. Bagley; Jacqueline M. Cole; Philip Coppens","Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes","Inorganic Chemistry","2003","42","","140","147","10.1021/ic025997g","","","0.71073","MoKα","","0.0503","0.048","","","0.1278","0.1298","","","","","","1.623","","","","has coordinates,has disorder","179181","2020-10-21","18:00:00",""
"4312932","20.36","0.0003","11.098","0.0001","17.9282","0.0002","90","","108.304","0.001","90","","3846.01","0.08","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H42 Br2 N2 Ni P2 -","- C44 H42 Br2 N2 Ni P2 -","- C176 H168 Br8 N8 Ni4 P8 -","4","1","","Dirk Walther; Stefan Liesicke; Lars Böttcher; Reinald Fischer; Helmar Görls; Gavin Vaughan","Metal Complexes with 2,3-Bis(diphenylphosphino)-1,4-diazadiene Ligands: Synthesis, Structures, and an Intramolecular Metal-Mediated [4 + 2] Cycloaddition Employing a Benzene Ring as a Dienophile","Inorganic Chemistry","2003","42","","625","632","10.1021/ic020534w","","","0.45085","","","0.0186","0.0184","","","0.0498","0.05","","","","","","1.109","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4313327","21.053","0.002","10.9427","0.0009","15.5772","0.0016","90","","127.582","0.007","90","","2843.9","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H29 Cl2 Mn N5 O9 -","- C23 H29 Cl2 Mn N5 O9 -","- C92 H116 Cl8 Mn4 N20 O36 -","4","1","","Yilma Gultneh; Teshome B. Yisgedu; Yohannes T. Tesema; Ray J. Butcher","Dioxo-Bridged Dinuclear Manganese(III) and -(IV) Complexes of Pyridyl Donor Tripod Ligands: Combined Effects of Steric Substitution and Chelate Ring Size Variations on Structural, Spectroscopic, and Electrochemical Properties","Inorganic Chemistry","2003","42","","1857","1867","10.1021/ic020131w","","","0.71073","MoKα","","0.0575","0.0393","","","0.0956","0.1085","","","","","","1.027","","","","has coordinates,has disorder","179191","2020-10-21","18:00:00",""
"4313556","38.826","0.0007","15.702","0.0003","27.572","0.0004","90","","106.52","0.001","90","","16115.3","0.5","301","2","301","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H50 F24 N14 P4 Ru2 -","- C60 F24 N14 P4 Ru2 -","- C480 F192 N112 P32 Ru16 -","8","2","","Joe Otsuki; Nobuyuki Omokawa; Kenji Yoshiba; Isao Yoshikawa; Tetsuo Akasaka; Tomoyoshi Suenobu; Toshio Takido; Koji Araki; Shunichi Fukuzumi","Synthesis and Structural, Electrochemical, and Optical Properties of Ru(II) Complexes with Azobis(2,2'-bipyridine)s","Inorganic Chemistry","2003","42","","3057","3066","10.1021/ic026040g","","","1.5418","CuKα","","0.2832","0.2235","","","0.583","0.6331","","","","","","2.536","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4313831","21.763","0.002","12.663","0.0013","19.082","0.002","90","","100.24","0.009","90","","5174.9","0.9","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H73 Eu N6 Na O6 Si3 -","- C42 H73 Eu N6 Na O6 Si3 -","- C168 H292 Eu4 N24 Na4 O24 Si12 -","4","1","","Bernardo Monteiro; Dmitrii Roitershtein; Humberto Ferreira; José R. Ascenso; Ana M. Martins; Ângela Domingos; Noémia Marques","Triamidotriazacyclononane Complexes of Group 3 Metals. Synthesis and Crystal Structures","Inorganic Chemistry","2003","42","","4223","4231","10.1021/ic034090v","","","0.71073","MoKα","","0.0857","0.0542","","","0.0649","0.0763","","","","","","1.122","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313922","11.468","0.0006","27.449","0.002","12.451","0.0008","90","","108.86","0.005","90","","3709","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H24 B2 F8 Fe N12 -","- C33 H24 B2 F8 Fe N12 -","- C132 H96 B8 F32 Fe4 N48 -","4","1","","Virginie Niel; Ana B. Gaspar; M. Carmen Muñoz; Belén Abarca; Rafael Ballesteros; José Antonio Real","Spin Crossover Behavior in the Iron(II)-2-pyridyl[1,2,3]triazolo[1,5-a]pyridine System: X-ray Structure, Calorimetric, Magnetic, and Photomagnetic Studies","Inorganic Chemistry","2003","42","","4782","4788","10.1021/ic034366z","","","0.7107","MoKα","","0.1222","0.093","","","0.2521","0.2808","","","","","","1.094","","","","has coordinates","179207","2020-10-21","18:00:00",""
"4313996","12.45","0.006","23.32","0.01","19.433","0.009","90","","106.791","0.007","90","","5402","4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C55 H52 F3 O3 P4 Ru S3 -","- C55 H52 F3 O3 P4 Ru S3 -","- C220 H208 F12 O12 P16 Ru4 S12 -","4","1","","Thirumanavelan Gandhi; Munirathinam Nethaji; Balaji R. Jagirdar","Utilization of CS2 as a Source of C1 Chemistry for the Generation of Methyldithioformate","Inorganic Chemistry","2003","42","","4798","4800","10.1021/ic0346937","","","0.71073","MoKα","","0.0759","0.0682","","","0.1866","0.193","","","","","","1.055","","","","has coordinates","179207","2020-10-21","18:00:00",""
"4314021","29.0233","0.0005","8.7868","0.0002","15.5116","0.0001","90","","93.952","0.001","90","","3946.39","0.12","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H26 Cl2 N2 P V -","- C15 H25 Cl2 N2 P V -","- C120 H200 Cl16 N16 P8 V8 -","8","2","","Sarah B. Hawkeswood; Douglas W. Stephan","Synthesis and Characterization of Vanadium(V)-Phosphinimide Complexes","Inorganic Chemistry","2003","42","","5429","5433","10.1021/ic030151d","","","0.71073","MoKα","","0.0755","0.051","","","0.1311","0.1519","","","","","","0.869","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314220","16.007","0.005","14.091","0.004","13.608","0.004","90","","124.525","0.004","90","","2528.8","1.3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","{hydrotris(3,5-dimethylpyrazol-1-yl)borato}(pyridine -2-dithio)oxotungsten(IV) tetrafluoroborate","","- C20 H26 B2 F4 N7 O S2 W -","- C20 H26 B2 F4 N7 O S2 W -","- C80 H104 B8 F16 N28 O4 S8 W4 -","4","1","","Simon Thomas; Aston A. Eagle; Stephen A. Sproules; Jason P. Hill; Jonathan M. White; Edward R. T. Tiekink; Graham N. George; Charles G. Young","Redox Interplay of Oxo-Thio-Tungsten Centers with Sulfur-Donor Co-Ligands","Inorganic Chemistry","2003","42","","5909","5916","10.1021/ic030095g","","","0.71073","MoKα","","0.0753","0.0536","","","0.1167","0.1246","","","","","","1.03","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314243","11.299","0.003","7.7649","0.0019","13.835","0.003","90","","104.826","0.003","90","","1173.4","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C2 H12 Ge3 N2 O10 Zr -","- C2 H10 Ge3 N2 O10 Zr -","- C8 H40 Ge12 N8 O40 Zr4 -","4","1","","Zhicheng Liu; Linhong Weng; Zhenxia Chen; Dongyuan Zhao","Synthesis and Characterization of a Novel Organically Templated Open Framework Zirconogermanate with Three- and Seven-Membered Rings","Inorganic Chemistry","2003","42","","5960","5965","10.1021/ic0343612","","","0.71073","MoKα","","0.0307","0.0263","","","0.0529","0.0537","","","","","","0.928","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314364","9.424","0.002","15.105","0.004","15.152","0.004","90","","104.7","0.02","90","","2086.3","0.9","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H30 Cl3 N3 O Zr -","- C14 H30 Cl3 N3 O Zr -","- C56 H120 Cl12 N12 O4 Zr4 -","4","1","","Patrick Bazinet; Dayna Wood; Glenn P. A. Yap; Darrin S. Richeson","Synthesis and Structural Investigation of N,N',N''-Trialkylguanidinato-Supported Zirconium(IV) Complexes","Inorganic Chemistry","2003","42","","6225","6229","10.1021/ic034445a","","","0.71073","MoKα","","0.0765","0.0586","","","0.1665","0.1912","","","","","","1.03","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314428","18.2046","0.0014","10.7576","0.0008","19.0952","0.0015","90","","94.456","0.001","90","","3728.3","0.5","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H30 F9 Fe K N6 O5 -","- C32 H30 F9 Fe K N6 O5 -","- C128 H120 F36 Fe4 K4 N24 O20 -","4","1","","Patrina Paraskevopoulou; Lin Ai; Qiuwen Wang; Devender Pinnapareddy; Rama Acharyya; Rupam Dinda; Purak Das; Remle Çelenligil-Çetin; Georgios Floros; Yiannis Sanakis; Amitava Choudhury; Nigam P. Rath; Pericles Stavropoulos","Synthesis and Characterization of a Series of Structurally and Electronically Diverse Fe(II) Complexes Featuring a Family of Triphenylamido-Amine Ligands","Inorganic Chemistry","2010","49","","108","122","10.1021/ic9015838","","","0.71073","MoKα","","0.0906","0.0715","","","0.1887","0.2071","","","","","","1.057","","","","has coordinates","179218","2020-10-21","18:00:00",""
"4314687","15.307","0.0006","13.2387","0.0006","18.7031","0.0008","90","","101.165","0.002","90","","3718.4","0.3","150","","150","","","","","","","","Allison Ross, ARVC(Cl)1","6","C 1 c 1","C -2yc","9","","","","- C11 H31 Cl2 N4 O3.5 V -","- C11 H31 Cl2 N4 O3.5 V -","- C88 H248 Cl16 N32 O28 V8 -","8","2","","Allison Ross; Dinesh C. Soares; Danielle Covelli; Christophe Pannecouque; Laura Budd; Anna Collins; Neil Robertson; Simon Parsons; Erik De Clercq; Pierre Kennepohl; Peter J. Sadler","Oxovanadium(IV) Cyclam and Bicyclam Complexes: Potential CXCR4 Receptor Antagonists","Inorganic Chemistry","2010","49","","1122","1132","10.1021/ic9020614","","","0.71073","MoKα","","0.0576","0.0543","","0.1491","0.1475","0.1491","","","","","","1.1279","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314715","10.7933","0.0012","10.8604","0.0012","24.337","0.003","90","","95.103","0.002","90","","2841.5","0.6","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H34 Ag2 N4 O6 S4 -","- C24 H34 Ag2 N4 O6 S4 -","- C96 H136 Ag8 N16 O24 S16 -","4","1","","Sunhong Park; So Young Lee; Shim Sung Lee","Discrete Mercury(II) Complexes, One-Dimensional and Palladium(II)-Mediated Two-Dimensional Silver(I) Coordination Polymers of NS2-Macrocycle: Synthesis and Structural Characterization","Inorganic Chemistry","2010","49","","1238","1244","10.1021/ic9021678","","","0.71073","MoKα","","0.0664","0.0531","","","0.1277","0.1339","","","","","","1.002","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4314759","17.614","0.003","30.546","0.006","8.0604","0.0016","90","","90.008","0.002","90","","4336.8","1.4","93.15","","93.15","","","","","","","","","5","C 1 c 1","C -2yc","9","Barium Magnesium Fluoroborate","","","- B12 Ba12 F12 Mg12 O36 -","- B12 Ba12 F12 Mg12 O36 -","- B48 Ba48 F48 Mg48 O144 -","4","1","","Ru Kang Li; Peng Chen","Cation Coordination Control of Anionic Group Alignment to Maximize SHG Effects in the BaMBO3F (M = Zn, Mg) Series","Inorganic Chemistry","2010","49","","1561","1565","10.1021/ic901698b","","","0.710747","MoKα","","0.0701","0.0623","","","0.1098","0.1149","","","","","","1.167","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4315006","12.249","0.005","21.633","0.008","15.987","0.006","90","","110.581","0.005","90","","3966","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H41 Cl6 N3 Ti -","- C40 H41 Cl6 N3 Ti -","- C160 H164 Cl24 N12 Ti4 -","4","1","","Kensha Marie Clark; Joseph W. Ziller; Alan F. Heyduk","Steric Control of Coordination Geometry in Titanium-Imido Complexes of N,N'-bis(arylimino)acenaphthylene Ligands","Inorganic Chemistry","2010","49","","2222","2231","10.1021/ic902101z","","","0.71073","MoKα","","0.0405","0.0364","","","0.0932","0.0958","","","","","","1.04","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315030","15.9681","0.0005","16.495","0.0006","11.9423","0.0004","90","","129.984","0.002","90","","2410.18","0.16","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H20 Ag Mo2 Na O8 -","- C20 H20 Ag Mo2 Na O8 -","- C80 H80 Ag4 Mo8 Na4 O32 -","4","1","","Sabrina Sculfort; Richard Welter; Pierre Braunstein","Heterometallic Chains and Clusters with Gold-Transition Metal Bonds: Synthesis and Interconversion","Inorganic Chemistry","2010","49","","2372","2382","10.1021/ic902245v","","","0.71073","MoKα","","0.0671","0.0397","","","0.0731","0.0831","","","","","","0.984","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315351","22.383","0.003","35.446","0.005","27.388","0.004","90","","113.163","0.002","90","","19978","5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C88.24 H122.1 Co2 K2 N13 O20.31 -","- C88.24 H122.1 Co2 K2 N13 O20.31 -","- C705.92 H976.8 Co16 K16 N104 O162.48 -","8","2","","Glen E. Alliger; Peter Müller; Christopher C. Cummins; Daniel G. Nocera","Cofacial Dicobalt Complex of a Binucleating Hexacarboxamide Cryptand Ligand","Inorganic Chemistry","2010","49","","3697","3699","10.1021/ic100395a","","","0.71073","MoKα","","0.1076","0.0696","","","0.1824","0.213","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4315357","7.762","0.001","14.5949","0.0019","19.827","0.003","90","","98.562","0.002","90","","2221.1","0.5","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C8 Ag12 O12 V4 -","- C16 Ag37 O22 V5 -","- C64 Ag148 O88 V20 -","4","1","","Xiao-Li Zhao; Thomas C. W. Mak","New Polyoxometalate Species Stabilized in Coordination Networks Constructed with the Multinuclear Silver(I) Ethynediide Aggregate C2@Agn (n= 6 and 7)","Inorganic Chemistry","2010","49","","3676","3678","10.1021/ic901697f","","","","","","","","","","","","","","","","","","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315585","10.0103","0.0008","17.5686","0.0015","10.5611","0.0008","90","","111.412","0.005","90","","1729.2","0.2","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H32 B4 Mg N2 O -","- C8 H32 B4 Mg N2 O -","- C32 H128 B16 Mg4 N8 O4 -","4","1","","Do Young Kim; Gregory S. Girolami","Highly Volatile Magnesium Complexes with the Aminodiboranate Anion, a New Chelating Borohydride. Synthesis and Characterization of Mg(H3BNMe2BH3)2 and Related Compounds","Inorganic Chemistry","2010","49","","4942","4948","10.1021/ic1000667","","","0.71073","MoKα","","0.0648","0.0455","","","0.1116","0.1195","","","","","","0.952","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315675","11.4122","0.0012","13.2503","0.0014","13.7957","0.0019","90","","112.456","0.002","90","","1927.9","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","[Pt(Ts-dpm)Cl2]","","","- C18 H17 Cl2 N3 O2 Pt S -","- C18 H17 Cl2 N3 O2 Pt S -","- C72 H68 Cl8 N12 O8 Pt4 S4 -","4","1","","Justin J. Wilson; Juliana Fedoce Lopes; Stephen J. Lippard","Synthesis, Characterization, and Photophysical Properties of Three Platinum(II) Complexes Bearing Fluorescent Analogues of the Di-2-pyridylmethane Ligand","Inorganic Chemistry","2010","49","","5303","5315","10.1021/ic100411p","","","0.71073","MoKα","","0.0224","0.0211","","","0.0443","0.0446","","","","","","1.006","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4315729","17.064","0.005","9.872","0.005","7.399","0.005","90","0.005","113.72","0.005","90","0.005","1141.1","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H9 B F2 N2 O -","- C13 H9 B F2 N2 O -","- C52 H36 B4 F8 N8 O4 -","4","1","","Kibong Kim; Changbum Jo; Shanmugam Easwaramoorthi; Jooyoung Sung; Dong Ho Kim; David G. Churchill","Crystallographic, Photophysical, NMR Spectroscopic and Reactivity Manifestations of the ""8-Heteroaryl Effect"" in 4,4-Difluoro-8-(C4H3X)-4-bora-3a,4a-diaza-s-indacene (X= O, S, Se) (BODIPY) Systems","Inorganic Chemistry","2010","49","","4881","4894","10.1021/ic902467h","","","0.71073","MoKα","","0.0881","0.0558","","","0.1164","0.1314","","","","","","1.05","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315732","12.8274","0.0006","7.7276","0.0004","6.969","0.0003","90","","98.161","0.003","90","","683.81","0.06","293","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B3 H4 Na3 O8 -","- B3 H4 Na3 O8 -","- B12 H16 Na12 O32 -","4","1","","Jérôme Andrieux; Christelle Goutaudier; Laetitia Laversenne; Erwann Jeanneau; Philippe Miele","Synthesis, Characterization, and Crystal Structure of a New Trisodium Triborate, Na3[B3O4(OH)4]","Inorganic Chemistry","2010","49","","4830","4835","10.1021/ic902525s","","","0.71069","MoKα","","0.0204","0.0203","","0.0239","0.0238","0.0239","","","","","","0.9679","","","","has coordinates","287905","2023-11-30","18:01:52",""
"4316059","19.635","0.003","12.1944","0.0015","12.111","0.002","90","","107.058","0.018","90","","2772.3","0.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H17 Cu N5 O -","- C12 H17 Cu N5 O -","- C96 H136 Cu8 N40 O8 -","8","2","","Subrata Naiya; Chaitali Biswas; Michael G. B. Drew; Carlos J. Gómez-García; Juan M. Clemente-Juan; Ashutosh Ghosh","A Unique Example of Structural and Magnetic Diversity in Four Interconvertible Copper(II)-Azide Complexes with the Same Schiff Base Ligand: A Monomer, a Dimer, a Chain, and a Layer","Inorganic Chemistry","2010","49","","6616","6627","10.1021/ic1005456","","","0.71073","MoKα","","0.1267","0.0848","","","0.2386","0.2533","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316124","5.3819","0.0007","13.699","0.0019","9.5866","0.0012","90","","103.682","0.002","90","","686.73","0.16","298","0.2","298","0.2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- O9 P2 Te2 -","- O9 P2 Te2 -","- O36 P8 Te8 -","4","1","","Min Kyung Kim; Sang-Hwan Kim; Hong-Young Chang; P. Shiv Halasyamani; Kang Min Ok","New Noncentrosymmetric Tellurite Phosphate Material: Synthesis, Characterization, and Calculations of Te2O(PO4)2","Inorganic Chemistry","2010","49","","7028","7034","10.1021/ic100706n","","","0.71073","MoKα","","0.0309","0.0307","","","0.0854","0.0854","","","","","","1.046","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316290","14.558","0.005","9.216","0.003","13.782","0.005","90","","101.675","0.006","90","","1810.8","1.1","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H20 N4 O2 S2 Zn -","- C14 H20 N4 O2 S2 Zn -","- C56 H80 N16 O8 S8 Zn4 -","4","1","","Guo-Bi Li; Hua-Cai Fang; Yue-Peng Cai; Zheng-Yuan Zhou; Praveen K. Thallapally; Jian Tian","Construction of a Novel Zn-Ni Trinuclear Schiff Base and a Ni2+ Chemosensor","Inorganic Chemistry","2010","49","","7241","7243","10.1021/ic101036m","","","0.71073","MoKα","","0.0672","0.0382","","","0.0785","0.0889","","","","","","1.107","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4316336","12.6601","0.0002","16.169","0.0002","42.929","0.0006","90","","92.5","0.001","90","","8779.3","0.2","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C35 H42 F9 Gd N8 O10 S3 -","- C35 H40 F9 Gd N8 O10 S3 -","- C280 H320 F72 Gd8 N64 O80 S24 -","8","2","","Louise S. Natrajan; Ntai M. Khoabane; Benjamin L. Dadds; Christopher A. Muryn; Robin G. Pritchard; Sarah L. Heath; Alan M. Kenwright; Ilya Kuprov; Stephen Faulkner","Probing the Structure, Conformation, and Stereochemical Exchange in a Family of Lanthanide Complexes Derived from Tetrapyridyl-Appended Cyclen","Inorganic Chemistry","2010","49","","7700","7709","10.1021/ic100447m","","","0.71073","MoKα","","0.1594","0.1084","","","0.2679","0.317","","","","","","1.073","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4316427","16.1224","0.0006","29.4322","0.001","23.6489","0.0008","90","","108.111","0.002","90","","10665.8","0.7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H68 Ag F3 N10 O3.5 S -","- C48 H68 Ag F3 N10 O3.5 S -","- C384 H544 Ag8 F24 N80 O28 S8 -","8","2","","Tyler J. Morin; Andrew Merkel; Sergey V. Lindeman; James R. Gardinier","Breaking the Cycle: Impact of Sterically-Tailored Tetra(pyrazolyl)lutidines on the Self-Assembly of Silver(I) Complexes","Inorganic Chemistry","2010","49","","7992","8002","10.1021/ic1010538","","","1.54178","CuKα","","0.0658","0.0606","","","0.1545","0.1596","","","","","","1.032","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4316428","13.02","0.002","23.573","0.004","21.833","0.003","90","","106.805","0.004","90","","6414.8","1.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H52 Mo3 P2 S10 -","- C66 H52 Mo3 P2 S10 -","- C264 H208 Mo12 P8 S40 -","4","1","","Rosa Llusar; Victor Polo; Ederley Velez; Cristian Vicent","Sulfur-Based Redox Reactions in Mo3S74+ and Mo3S44+ Clusters Bearing Halide and 1,2-Dithiolene Ligands: a Mass Spectrometric and Density Functional Theory Study","Inorganic Chemistry","2010","49","","8045","8055","10.1021/ic1010693","","","0.71073","MoKα","","0.1485","0.0719","","","0.1506","0.1866","","","","","","1.005","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316508","20.907","0.008","7.81","0.003","15.367","0.006","90","","117.41","0.001","90","","2227.5","1.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O9 S Zn2 -","- C21 H20 N2 O9 S Zn2 -","- C84 H80 N8 O36 S4 Zn8 -","4","1","","Qing-Yan Liu; Yu-Ling Wang; Zeng-Mei Shan; Rong Cao; Yun-Liang Jiang; Zu-Jian Wang; Er-Lei Yang","Novel Noncentrosymmetric Zinc Coordination Polymer Containing an Unusual Zinc Carboxylate-Sulfonate Substructure with a (10,3)-d Topology and Its Second-Harmonic-Generation Properties","Inorganic Chemistry","2010","49","","8191","8193","10.1021/ic1009303","","","0.71073","MoKα","","0.0425","0.0366","","","0.069","0.073","","","","","","1.002","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4316615","12.8978","0.0012","15.4219","0.0014","6.8108","0.0006","90","","115.838","0.002","90","","1219.29","0.19","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H9 Cr N O7 -","- C9 H9 Cr N O7 -","- C36 H36 Cr4 N4 O28 -","4","1","","Wei-Qiang Zhang; Adrian C. Whitwood; Ian J. S. Fairlamb; Jason M. Lynam","Group 6 Carbon Monoxide-Releasing Metal Complexes with Biologically-Compatible Leaving Groups","Inorganic Chemistry","2010","49","","8941","8952","10.1021/ic101230j","","","0.71073","MoKα","","0.0195","0.0193","","","0.0506","0.0507","","","","","","1.076","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316618","13.0857","0.0008","15.517","0.0008","6.9481","0.0004","90","","116.015","0.001","90","","1267.87","0.13","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H9 Mo N O7 -","- C9 H9 Mo N O7 -","- C36 H36 Mo4 N4 O28 -","4","1","","Wei-Qiang Zhang; Adrian C. Whitwood; Ian J. S. Fairlamb; Jason M. Lynam","Group 6 Carbon Monoxide-Releasing Metal Complexes with Biologically-Compatible Leaving Groups","Inorganic Chemistry","2010","49","","8941","8952","10.1021/ic101230j","","","0.71073","MoKα","","0.0153","0.0149","","","0.0345","0.0346","","","","","","1.054","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316641","23.008","0.004","9.016","0.005","17.759","0.005","90","","113.552","0.015","90","","3377","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H40 N20 Ni2 S2 -","- C24 H40 N20 Ni2 S2 -","- C96 H160 N80 Ni8 S8 -","4","1","","Antonio J. Mota; Antonio Rodríguez-Diéguez; M. Ángeles Palacios; Juan M. Herrera; Dominique Luneau; Enrique Colacio","Theoretical and Experimental Study of the Effectiveness of the 5-Pyrimidyl-tetrazolate Bridging Ligand in Mediating Magnetic Exchange Interactions","Inorganic Chemistry","2010","49","","8986","8996","10.1021/ic101322s","","","0.71069","MoKα","","0.0443","0.034","","","0.0736","0.0816","","","","","","0.697","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316902","26.0414","0.0005","11.3056","0.0002","25.2438","0.0005","90","","93.313","0.001","90","","7419.7","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H42 F12 N4 P2 Pt -","- C34 H42 F12 N4 P2 Pt -","- C272 H336 F96 N32 P16 Pt8 -","8","2","","Sayandev Chatterjee; Jeanette A. Krause; Allen G. Oliver; William B. Connick","Intramolecular NH...Pt Interactions of Platinum(II) Diimine Complexes with Phenyl Ligands","Inorganic Chemistry","2010","49","","9798","9808","10.1021/ic1007582","","","1.54178","CuKα","","0.0241","0.0238","","","0.0589","0.059","","","","","","1.032","","","","has coordinates,has disorder","179249","2020-10-21","18:00:00",""
"4316903","21.316","0.001","17.1154","0.001","13.3214","0.0006","90","","120.459","0.001","90","","4189.3","0.4","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H42 F18 N4 O P2 Pt -","- C36 H42 F18 N4 O P2 Pt -","- C144 H168 F72 N16 O4 P8 Pt4 -","4","1","","Sayandev Chatterjee; Jeanette A. Krause; Allen G. Oliver; William B. Connick","Intramolecular NH...Pt Interactions of Platinum(II) Diimine Complexes with Phenyl Ligands","Inorganic Chemistry","2010","49","","9798","9808","10.1021/ic1007582","","","0.7749","synchrotron","","0.046","0.0413","","","0.0954","0.0983","","","","","","0.967","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316997","24.315","0.011","10.174","0.005","26.31","0.008","90","","117.522","0.014","90","","5772","4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H44 Cu6 N22 O22 -","- C38 H44 Cu6 N22 O22 -","- C152 H176 Cu24 N88 O88 -","4","1","","Albert Escuer; Beatriz Cordero; Mercè Font-Bardia; Teresa Calvet","Anionic Tuning of the Dimensionality in Copper Oximato Chemistry","Inorganic Chemistry","2010","49","","9752","9754","10.1021/ic101636r","","","0.71073","MoKα","","0.0667","0.0617","","","0.198","0.2032","","","","","","1.179","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4317088","9.186","0.0005","22.222","0.0013","28.6662","0.0017","90","","96.228","0.001","90","","5817.1","0.6","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H46 O Te -","- C30 H23 O Te -","- C240 H184 O8 Te8 -","8","2","","Makoto Oba; Yasunori Okada; Masaki Endo; Kazuhito Tanaka; Kozaburo Nishiyama; Shigeru Shimada; Wataru Ando","Formation of Diaryl Telluroxides and Tellurones by Photosensitized Oxygenation of Diaryl Tellurides","Inorganic Chemistry","2010","49","","10680","10686","10.1021/ic101708y","","","0.71069","MoKα","","","0.0508","","","","0.1264","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317331","21.9917","0.0002","10.8628","0.0001","22.4581","0.0003","90","","118.666","0.001","90","","4707.46","0.1","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H75 Cl Co O16 Ti4 -","- C30 H75 Cl Co O16 Ti4 -","- C120 H300 Cl4 Co4 O64 Ti16 -","4","1","","Salvador Eslava; Mary McPartlin; Richard I. Thomson; Jeremy M. Rawson; Dominic S. Wright","Single-Source Materials for Metal-Doped Titanium Oxide: Syntheses, Structures, and Properties of a Series of Heterometallic Transition-Metal Titanium Oxo Cages","Inorganic Chemistry","2010","49","","11532","11540","10.1021/ic101687m","","","0.71073","MoKα","","0.0402","0.0388","","","0.1091","0.1108","","","","","","1.029","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317332","21.9921","0.0004","10.8819","0.0002","22.4773","0.0005","90","","118.842","0.001","90","","4711.91","0.17","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H75 Cl O16 Ti4 Zn -","- C30 H75 Cl O16 Ti4 Zn -","- C120 H300 Cl4 O64 Ti16 Zn4 -","4","1","","Salvador Eslava; Mary McPartlin; Richard I. Thomson; Jeremy M. Rawson; Dominic S. Wright","Single-Source Materials for Metal-Doped Titanium Oxide: Syntheses, Structures, and Properties of a Series of Heterometallic Transition-Metal Titanium Oxo Cages","Inorganic Chemistry","2010","49","","11532","11540","10.1021/ic101687m","","","0.71073","MoKα","","0.0788","0.0674","","","0.2041","0.2111","","","","","","1.15","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317333","21.9579","0.0003","10.9435","0.0002","22.4042","0.0004","90","","118.512","0.001","90","","4730.7","0.14","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H75 Cl Fe O16 Ti4 -","- C30 H75 Cl Fe O16 Ti4 -","- C120 H300 Cl4 Fe4 O64 Ti16 -","4","1","","Salvador Eslava; Mary McPartlin; Richard I. Thomson; Jeremy M. Rawson; Dominic S. Wright","Single-Source Materials for Metal-Doped Titanium Oxide: Syntheses, Structures, and Properties of a Series of Heterometallic Transition-Metal Titanium Oxo Cages","Inorganic Chemistry","2010","49","","11532","11540","10.1021/ic101687m","","","0.71073","MoKα","","0.0505","0.0398","","","0.1067","0.1121","","","","","","0.998","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317385","16.2169","0.0001","23.4676","0.0001","16.3222","0.0002","90","","90.744","0.001","90","","6211.24","0.09","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H42 B16 Zr2 -","- C20 H40.5 B16 Zr2 -","- C160 H324 B128 Zr16 -","8","2","","Rhodri Ll. Thomas; Nigam P. Rath; Lawrence Barton","Formation of Metallaboranes from the Group IV Transition Metals and Pentaborane(9): Crystal and Molecular Structure of [(Cp2Zr)2B5H8][B11H14]","Inorganic Chemistry","2002","41","","67","75","10.1021/ic010665h","","","0.71073","MoKα","","0.0462","0.0363","","","0.0796","0.0841","","","","","","1.12","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4317409","17.849","0.002","20.516","0.002","11.566","0.001","90","","119.96","0.01","90","","3669.4","0.7","198","2","198","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C36 H34 B Cl4 F4 Mo O2 P -","- C36 H34 B Cl4 F4 Mo O2 P -","- C144 H136 B4 Cl16 F16 Mo4 O8 P4 -","4","1","","Matthias Tamm; Thomas Bannenberg; Bernd Dreßel; Roland Fröhlich; Christiane Holst","Molybdenum Complexes with Linked Cycloheptatrienyl-Phenolate Ligands","Inorganic Chemistry","2002","41","","47","59","10.1021/ic010902g","","","0.71073","MoKα","","0.0715","0.0606","","","0.1578","0.1675","","","","","","1.041","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4317564","26.5138","0.0007","7.9306","0.0003","15.3975","0.0005","90","","123.661","0.001","90","","2694.79","0.16","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H34 B3 F12 Fe N2 -","- C22 H34 B3 F12 Fe N2 -","- C88 H136 B12 F48 Fe4 N8 -","4","1","","Sam Bradley; Kenneth D. Camm; Xiaoming Liu; Patrick C. McGowan; Raheela Mumtaz; Karrie A. Oughton; Thomas J. Podesta; Mark Thornton-Pett","Synthesis and Structural Studies of 1,1'-Bis-Amino-Functionalized Ferrocenes, Ferrocene Salts, and Ferrocenium Salts","Inorganic Chemistry","2002","41","","715","726","10.1021/ic010821k","","","0.71073","MoKα","","0.0621","0.0436","","","0.0995","0.1117","","","","","","1.014","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317608","13.1546","0.0011","15.6592","0.0013","24.0043","0.0019","90","","99.396","0.002","90","","4878.3","0.7","213","2","213","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H54 Fe3 N8 O6 S5 V -","- C39 H54 Fe3 N8 O6 S5 V -","- C156 H216 Fe12 N32 O24 S20 V4 -","4","1","","Dmitry V. Fomitchev; Craig C. McLauchlan; R. H. Holm","Heterometal Cubane-Type MFe3S4 Clusters (M = Mo, V) Trigonally Symmetrized with Hydrotris(pyrazolyl)borate(1-) and Tris(pyrazolyl)methanesulfonate(1-) Capping Ligands","Inorganic Chemistry","2002","41","","958","966","10.1021/ic011106d","","","0.71073","MoKα","","0.0902","0.0582","","","0.1182","0.1315","","","","","","1.019","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317738","17.514","0.004","10.639","0.002","20.106","0.004","90","","102.29","0.03","90","","3660.5","1.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H33 Cl2 N2 P2 Re S2 -","- C38 Cl2 N1.98 P2 Re S2 -","- C152 Cl8 N7.92 P8 Re4 S8 -","4","1","","Franck Mévellec; Nicolas Lepareur; Alain Roucoux; Nicolas Noiret; Henri Patin; Giuliano Bandoli; Marina Porchia; Francesco Tisato","Chelated Hydrazido(3-)rhenium(V) Complexes: On the Way to the Nitrido-M(V) Core (M = Tc, Re)","Inorganic Chemistry","2002","41","","1591","1597","10.1021/ic0110979","","","0.71073","MoKα","","0.0456","0.045","","","0.1137","0.1147","","","","","","1.089","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317742","10.2555","0.0004","28.1461","0.0014","9.4194","0.0005","90","","113.106","0.0019","90","","2500.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H28 N O6 P -","- C27 H28 N O6 P -","- C108 H112 N4 O24 P4 -","4","1","","A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","P-O Donor Action from Carboxylate Anions with Phosphorus in the Presence of Hydrogen Bonding. A Model for Phosphoryl-Transfer Enzymes1","Inorganic Chemistry","2002","41","","1645","1651","10.1021/ic0111435","","","0.71073","MoKα","","0.0845","0.0604","","","0.137","0.1521","","","","","","1.037","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317821","12.1257","0.0008","24.96","0.002","14.1532","0.0009","90","","109.943","0.001","90","","4026.7","0.5","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H38 Cl Ho N4 O2 -","- C48 H38 Cl Ho N4 O2 -","- C192 H152 Cl4 Ho4 N16 O8 -","4","1","","Timothy J. Foley; Khalil A. Abboud; James M. Boncella","Synthesis of Ln(III) Chloride Tetraphenylporphyrin Complexes","Inorganic Chemistry","2002","41","","1704","1706","10.1021/ic015612e","","","0.71073","MoKα","","0.0622","0.0412","","","0.0798","0.0898","","","","","","1.065","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4318139","12.7326","0.0011","11.891","0.002","15.0701","0.0009","90","","103.17","0.005","90","","2221.7","0.4","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H27 B9 Co N -","- C20 H27 B9 Co N -","- C80 H108 B36 Co4 N4 -","4","1","","Jordi Llop; Clara Viñas; Francesc Teixidor; Lluís Victori; Raikko Kivekäs; Reijo Sillanpää","Redox Potential Modulation in Mixed Sandwich Pyrrolyl/ Dicarbollide Complexes","Inorganic Chemistry","2002","41","","3347","3352","10.1021/ic011285z","","","0.71069","MoKα","","0.052","0.0357","","","0.0794","0.0842","","","","","","1.081","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318173","22.107","0.005","13.219","0.002","14.493","0.005","90","","100.92","0.02","90","","4158.6","1.8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","(Dipyridoquinoxaline)(tris(3-phenylpyrazolyl)borate)copper(II) perchlorate.methylene chloride","","","- C42 H32 B Cl3 Cu N10 O4 -","- C42 H30 B Cl3 Cu N10 O4 -","- C168 H120 B4 Cl12 Cu4 N40 O16 -","4","1","","Shanta Dhar; Pattubala A. N. Reddy; Munirathinam Nethaji; Subramony Mahadevan; Manas K. Saha; Akhil R. Chakravarty","Effect of Steric Encumbrance of Tris(3-phenylpyrazolyl)borate on the Structure and Properties of Ternary Copper(II) Complexes Having N,N-Donor Heterocyclic Bases","Inorganic Chemistry","2002","41","","3469","3476","10.1021/ic0201396","","","0.71073","MoKα","","0.0752","0.0448","","","0.1009","0.1132","","","","","","1.013","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318381","17.275","0.004","8.371","0.003","16.143","0.003","90","","112.95","0.01","90","","2149.6","1","294.2","","294.2","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H29 Cl P Rh S2 Ti -","- C18 H29 Cl P Rh S2 Ti -","- C72 H116 Cl4 P4 Rh4 S8 Ti4 -","4","1","","Shigeki Kuwata; Tatsuya Nagano; Akihiro Matsubayashi; Youichi Ishii; Masanobu Hidai","Sulfur-Bridged Early-Late Heterobimetallics Synthesized by Incorporation of Titanium, Vanadium, and Molybdenum into Bis(hydrosulfido) Templates of Group 9 Metals","Inorganic Chemistry","2002","41","","4324","4330","10.1021/ic020105y","","","0.7107","MoKα","","0.0232","0.0232","","","0.0326","0.0326","","","","","","2.405","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318410","17.321","0.004","11.195","0.002","14.124","0.003","90","","108.33","0.07","90","","2599.8","1.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H32 Cl Co N6 O6 -","- C21 H32 Cl Co N6 O6 -","- C84 H128 Cl4 Co4 N24 O24 -","4","1","","Renata Dreos; Alessandro Felluga; Giorgio Nardin; Lucio Randaccio; Mauro Sandri; Giovanni Tauzher","New Alkyl-Cobalt(III) Complexes Containing Chiral Centers in the Chelating System","Inorganic Chemistry","2002","41","","4548","4554","10.1021/ic025534a","","","0.71073","MoKα","","0.0478","0.0438","","","0.1191","0.1234","","","","","","1.06","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318456","10.2386","0.0006","29.17","0.003","7.3196","0.0006","90","","129.109","0.004","90","","1696.3","0.3","150","2","150","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C20 H16 F2 Ge -","- C20 H16 F2 Ge -","- C80 H64 F8 Ge4 -","4","1","","Alan K. Brisdon; Ian R. Crossley; Robin G. Pritchard; John E. Warren","Spectroscopic and Structural Assignment of the Absolute Stereochemistry in a Series of 1,2-Difluorovinyl Organometalloids. The First Crystallographic Characterization and Structural Series of Group 14 Fluorovinyl Compounds","Inorganic Chemistry","2002","41","","4748","4755","10.1021/ic025593o","","x-ray","0.71073","MoKα","","0.0511","0.0426","","","0.1014","0.1075","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4318527","10.6428","0.0002","19.2827","0.0006","14.058","0.0004","90","","100.083","0.0016","90","","2840.45","0.13","200","1","200","1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H33 Cl2 N3 O10 S4 Zn -","- C16 H33 Cl2 N3 O10 S4 Zn -","- C64 H132 Cl8 N12 O40 S16 Zn4 -","4","1","","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","","0.0375","0.0341","","","0.0788","0.081","","","","","","1.058","","","","has coordinates","179265","2020-10-21","18:00:00",""
"4318619","8.875","0.002","22.64","0.01","18.723","0.004","90","","91.12","0.02","90","","3761","2","193.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H36 Fe N2 S2 Si2 -","- C40 H36 Fe N2 S2 Si2 -","- C160 H144 Fe4 N8 S8 Si8 -","4","1","","Takashi Komuro; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Synthesis and Reactions of Triphenylsilanethiolato Complexes of Manganese(II), Iron(II), Cobalt(II), and Nickel(II)","Inorganic Chemistry","2002","41","","5083","5090","10.1021/ic025715c","","","0.7107","MoKα","","","0.072","","","","0.093","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318659","9.3793","0.0003","15.4229","0.0006","14.3681","0.0006","90","0.001","104.284","0.002","90","0.001","2014.18","0.13","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H17 Br Cl2 Fe N4 -","- C18 H17 Br Cl2 Fe N4 -","- C72 H68 Br4 Cl8 Fe4 N16 -","4","1","","Dominique Mandon; Ahmed Machkour; Sandrine Goetz; Richard Welter","Trigonal Bipyramidal Geometry and Tridentate Coordination Mode of the Tripod in FeCl2 Complexes with Tris(2-pyridylmethyl)amine Derivatives Bis-α-Substituted with Bulky Groups. Structures and Spectroscopic Comparative Studies","Inorganic Chemistry","2002","41","","5364","5372","10.1021/ic011104t","","","0.71073","MoKα","","0.0516","0.0428","","","0.0989","0.1038","","","","","","1.046","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318740","7.971","0.002","22.218","0.004","11.875","0.002","90","","98.99","0.03","90","","2077.2","0.8","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","manganese(III)dichloridemonomer","manganesedichloro(bis(picolyl)-N-methylimdazol-2-yl)perchlorate","","- C17 H19 Cl3 Mn N5 O4 -","- C17 H19 Cl3 Mn N5 O4 -","- C68 H76 Cl12 Mn4 N20 O16 -","4","1","","Michael U. Triller; Wen-Yuan Hsieh; Vincent L. Pecoraro; Annette Rompel; Bernt Krebs","Preparation of Highly Efficient Manganese Catalase Mimics","Inorganic Chemistry","2002","41","","5544","5554","10.1021/ic025897a","","","0.71073","MoKα","","0.0403","0.0381","","","0.0799","0.0807","","","","","","1.021","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4318906","9.927","0.003","20.216","0.005","16.489","0.005","90","","96.031","0.004","90","","3290.8","1.6","173","2","173","2","","","","","","","Doug Spencer","4","C 1 c 1","C -2yc","9","01077","","","- C35 H44 Cu N3 -","- C35 H38 Cu N3 -","- C140 H152 Cu4 N12 -","4","1","","Douglas J. E. Spencer; Anne M. Reynolds; Patrick L. Holland; Brian A. Jazdzewski; Carole Duboc-Toia; Laurent Le Pape; Seiji Yokota; Yoshimitsu Tachi; Shinobu Itoh; William B. Tolman","Copper Chemistry of β-Diketiminate Ligands: Monomer/Dimer Equilibria and a New Class of Bis(μ-oxo)dicopper Compounds","Inorganic Chemistry","2002","41","","6307","6321","10.1021/ic020369k","","","0.71073","MoKα","","0.0394","0.0381","","","0.101","0.1022","","","","","","0.988","","","","has coordinates,has disorder","179269","2020-10-21","18:00:00",""
"4318959","8.65","0.002","14.336","0.004","14.516","0.003","90","","97.827","0.005","90","","1783.3","0.7","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H16 Fe2 N4 O2 S2 -","- C12 H16 Fe2 N4 O2 S2 -","- C48 H64 Fe8 N16 O8 S8 -","4","1","","Joshua D. Lawrence; Thomas B. Rauchfuss; Scott R. Wilson","New Class of Diiron Dithiolates Related to the Fe-Only Hydrogenase Active Site: Synthesis and Characterization of [Fe2(SR)2(CNMe)7]2+","Inorganic Chemistry","2002","41","","6193","6195","10.1021/ic025919t","","","0.71073","MoKα","","0.1142","0.0677","","","0.1433","0.1613","","","","","","0.968","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4318968","8.7315","0.0012","15.993","0.002","18.719","0.003","90","","96.471","0.002","90","","2597.3","0.6","417","2","417","2","","","","","","","","4","C 1 c 1","C -2yc","9","Zr(dpma)2.C6H6","","","- C28 H32 N6 Zr -","- C28 H32 N6 Zr -","- C112 H128 N24 Zr4 -","4","1","","Yahong Li; Angie Turnas; James T. Ciszewski; Aaron L. Odom","Group-4 η1-Pyrrolyl Complexes Incorporating N,N-Di(pyrrolyl-α-methyl)-N-methylamine","Inorganic Chemistry","2002","41","","6298","6306","10.1021/ic0259484","","","0.71073","MoKα","","0.0422","0.0366","","","0.0853","0.0897","","","","","","1.087","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4318973","17.177","0.01","16.56","0.007","8.497","0.003","90","","108.18","0.03","90","","2296.3","1.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","Ti(OCH2CF3)2(THF)(dpma)","","","- C19 H25 F6 N3 O3 Ti -","- C18.5 H24 F6 N3 O3 Ti -","- C74 H96 F24 N12 O12 Ti4 -","4","1","","Yahong Li; Angie Turnas; James T. Ciszewski; Aaron L. Odom","Group-4 η1-Pyrrolyl Complexes Incorporating N,N-Di(pyrrolyl-α-methyl)-N-methylamine","Inorganic Chemistry","2002","41","","6298","6306","10.1021/ic0259484","","","0.71073","MoKα","","0.0749","0.0623","","","0.1651","0.175","","","","","","1.038","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4319010","15.9353","0.0004","14.6635","0.0004","8.8872","0.0002","90","","101.721","0.0012","90","","2033.35","0.09","170","2","170","2","","","","","","","synthesized by authors","6","C 1 c 1","C -2yc","9","","","","- C16 H30 Al N2 P Se -","- C16 H30 Al N2 P Se -","- C64 H120 Al4 N8 P4 Se4 -","4","1","","Glen G. Briand; Tristram Chivers; Mark Krahn; Masood Parvez","Synthesis and X-ray Structures of Dilithium Complexes of the Phosphonate Anions [PhP(E)(NtBu)2]2- (E = O, S, Se, Te) and Dimethylaluminum Derivatives of [PhP(E)(NtBu)(NHtBu)]- (E = S, Se)","Inorganic Chemistry","2002","41","","6808","6815","10.1021/ic020471h","","","0.71073","MoKα","","0.032","0.0299","","","0.0775","0.0797","","","","","","1.058","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319321","20.579","0.003","14.405","0.002","24.407","0.004","90","","103.35","0.03","90","","7040","2","233","2","233","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C36 H76 Cl4 Mo3 N24 Ni O32 S4 -","- C36 H35 Cl4 Mo3 N24 Ni O32.01 S4 -","- C144 H140 Cl16 Mo12 N96 Ni4 O128.04 S16 -","4","1","","Vladimir P. Fedin; Volker Gramlich; Michael Wörle; Thomas Weber","Supramolecular Assemblies Based on Cucurbituril Adducts of Hydrogen-Bonded Cubane-Type Molybdenum-Nickel Sulfide Aqua Complexes","Inorganic Chemistry","2001","40","","1074","1077","10.1021/ic001034a","","","0.71073","MoKα","","0.1027","0.0803","","","0.2057","0.2237","","","","","","1.065","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319443","10.912","0.001","17.194","0.002","14.169","0.002","90","","100.651","0.009","90","","2612.6","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Cl N P Pd -","- C29 H29 Cl N P Pd -","- C116 H116 Cl4 N4 P4 Pd4 -","4","1","","Jacques Andrieu; Jean-Michel Camus; Jochen Dietz; Philippe Richard; Rinaldo Poli","Synthesis of β-P,N Aminophosphines and Coordination Chemistry to PdII. X-ray Structures of [PdCl2(Ph2PCH2CH(Ph)NHPh-κP,κN)] and [PdCl(η3-C3H5)(Ph2PCH2CH(Ph)NHPh-κP)]","Inorganic Chemistry","2001","40","","1597","1605","10.1021/ic000867y","","","0.71073","MoKα","","0.0301","0.0241","","","0.0604","0.0629","","","","","","1.073","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319480","16.11","0.008","20.38","0.005","11.01","0.01","90","","119.87","0.03","90","","3135","3","23","","23","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H32 Cd N3 Na O8 S3 -","- C108 H128 Cd4 N12 Na4 O32 S12 -","- C108 H128 Cd4 N12 Na4 O32 S12 -","","","","Hong Zhang; Ximin Wang; David E. Zelmon; Boon K. Teo","Synthesis and Structure of [(DB24C8)Na][Cd(SCN)3]. Formation of a Novel Linear Cd...Cd...Cd Chain with a mer-CdN3S3 Coordination Configuration and a New Coiled [(DB24C8)Na]+ Cation","Inorganic Chemistry","2001","40","","1501","1507","10.1021/ic0001762","","","0.7107","MoKalpha","","","0.051","","","0.052","","","","","2","2","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319665","15.0183","0.0002","29.6207","0.0005","29.2941","0.0005","90","","102.35","0.005","90","","12730","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C134.5 H160.5 Cl1.5 I2 N10 Rh2 -","- C134.5 H160.5 Cl1.5 I2 N10 Rh2 -","- C538 H642 Cl6 I8 N40 Rh8 -","4","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.6923","Synchrotron","","0.06","0.044","","","0.1146","0.1209","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4319795","8.455","0.001","25.509","0.001","6.461","0.001","90","","96.15","0.01","90","","1385.5","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H14 Ag2 N4 O10 -","- C6 H8 Ag2 N4 O10 -","- C24 H32 Ag8 N16 O40 -","4","1","","Andrea Erxleben","Synthesis and Structure of {[Ag(SalGly)].0.33H2O}n: An Infinite Double Helical Coordination Polymer","Inorganic Chemistry","2001","40","","2928","2931","10.1021/ic010028r","","","0.71069","MoKα","","0.0411","0.0245","","0.1293","0.062","","","","1.061","1.118","1.118","","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4319805","17.282","0.001","12.0452","0.0009","10.1336","0.0008","90","","116.301","0.002","90","","1891.1","0.2","250.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H23 Fe N5 O3 -","- C17 H23 Fe N5 O3 -","- C68 H92 Fe4 N20 O12 -","4","1","","Shinya Hayami; Zhong-ze Gu; Yasuaki Einaga; Yoshio Kobayasi; Yumiko Ishikawa; Yasuhiro Yamada; Akira Fujishima; Osamu Sato","A Novel LIESST Iron(II) Complex Exhibiting a High Relaxation Temperature","Inorganic Chemistry","2001","40","","3240","3242","10.1021/ic000708e","","","0.7107","MoKα","","","0.0382","","","","0.1093","","","","","","1.802","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319832","16.787","0.005","8.155","0.002","15.632","0.006","90","","107.69","0.04","90","","2038.8","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H26 Ho N3 O16 -","- C12 H26 Ho N3 O16 -","- C48 H104 Ho4 N12 O64 -","4","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.046","0.045","","","0.1064","0.1073","","","","","","1.055","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319833","16.857","0.005","8.15","0.002","15.732","0.006","90","","107.92","0.04","90","","2056.5","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H26 N3 O16 Yb -","- C12 H26 N3 O16 Yb -","- C48 H104 N12 O64 Yb4 -","4","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.033","0.0324","","","0.0816","0.0819","","","","","","1.043","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319857","15.9744","0.001","16.1255","0.001","17.1825","0.0011","90","","96.191","0.001","90","","4400.3","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C47 H50 Ag F3 N2 O3 S -","- C47 H50 Ag F3 N2 O3 S -","- C188 H200 Ag4 F12 N8 O12 S4 -","4","1","","Eric Bosch; Charles L. Barnes","Design and Synthesis of a Sterically Hindered Pyridine and Its Encapsulation of Silver(I) Cation","Inorganic Chemistry","2001","40","","3234","3236","10.1021/ic001305h","","","0.71073","MoKα","","0.0394","0.0344","","","0.0823","0.0848","","","","","","1.034","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319899","15.827","0.003","13.067","0.002","18.267","0.003","90","","108.01","0.01","90","","3592.7","1.1","293","","293","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H37 B F4 Fe P2 Pd -","- C39 H37 B F4 Fe P2 Pd -","- C156 H148 B4 F16 Fe4 P8 Pd4 -","4","1","","Richard J. van Haaren; Kees Goubitz; Jan Fraanje; Gino P. F. van Strijdonck; Henk Oevering; Betty Coussens; Joost N. H. Reek; Paul C. J. Kamer; Piet W. N. M. van Leeuwen","An X-ray Study of the Effect of the Bite Angle of Chelating Ligands on the Geometry of Palladium(allyl) Complexes: Implications for the Regioselectivity in the Allylic Alkylation","Inorganic Chemistry","2001","40","","3363","3372","10.1021/ic0009167","","","1.5418","CuKα","","0.07","0.067","","0.082","","0.08","","","1.203","","","1.211","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4319933","13.989","0.0007","24.8","0.002","11.0608","0.0006","90","","95.566","0.005","90","","3819.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H54 Ga P3 S6 -","- C24 H54 Ga P3 S6 -","- C96 H216 Ga4 P12 S24 -","4","1","","Jin-Ho Park; Paul O'Brien; Andrew J. P. White; David J. Williams","Variable Coordination Modes in Dialkyldithiophosphinato Complexes of Group 13 Metals: The X-ray Single Crystal Structures of Tris(diisobutyldithiophosphinato)gallium(III) and -indium(III)","Inorganic Chemistry","2001","40","","3629","3631","10.1021/ic001331f","","","1.54178","CuKα","","0.07","0.0614","","0.1798","0.1649","","","","1.047","1.058","1.058","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320178","10.6236","0.0009","18.5875","0.0015","23.978","0.002","90","","100.325","0.002","90","","4658.2","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H79.27 N8 O12.64 -","- C36 H79.27 N8 O12.635 -","- C144 H317.08 N32 O50.54 -","4","1","","Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James","Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality","Inorganic Chemistry","2001","40","","4710","4720","10.1021/ic010135l","","","0.71073","MoKα","","0.0804","0.0587","","","0.1534","0.1674","","","","","","1.008","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00",""
"4320266","20.49","0.002","12.39","0.001","21.171","0.002","90","","91.536","0.006","90","","5372.8","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","compound_8","","","- C40 H51 Au Cl12 O17 -","- C40 H40 Au Cl12 O17 -","- C160 H160 Au4 Cl48 O68 -","4","1","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.71073","MoKα","","0.1304","0.0671","","","0.1132","0.1361","","","","","","1.021","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320332","23.933","0.002","9.858","0.001","20.785","0.002","90","","105.913","0.002","90","","4715.9","0.8","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","00139","","","- C48 H52 Cl2 Ir N O3 Sn2 -","- C48 H52 Cl2 Ir N O3 Sn2 -","- C192 H208 Cl8 Ir4 N4 O12 Sn8 -","4","1","","Jessica M. Allen; William W. Brennessel; Carrie E. Buss; John E. Ellis; Mikhail E. Minyaev; Maren Pink; Garry F. Warnock; Mark L. Winzenburg; Victor G. Young","Synthesis, Isolation, and Characterization of Trisodium Tricarbonyliridate (3-), Na3[Ir(CO)3]. Initial Studies on Its Derivative Chemistry and Structural Characterizations of trans-[Ir(CO)3(EPh3)2]-, E = Ge, Sn, and trans-[Co(CO)3(SnPh3)2]-,1","Inorganic Chemistry","2001","40","","5279","5284","10.1021/ic0105011","","","0.71073","MoKα","","0.032","0.0278","","","0.058","0.0591","","","","","","1.057","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320333","23.722","0.003","9.7797","0.0011","20.679","0.002","90","","106.946","0.002","90","","4589.1","0.9","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","00172","","","- C48 H52 Cl2 Ge2 Ir N O3 -","- C48 H52 Cl2 Ge2 Ir N O3 -","- C192 H208 Cl8 Ge8 Ir4 N4 O12 -","4","1","","Jessica M. Allen; William W. Brennessel; Carrie E. Buss; John E. Ellis; Mikhail E. Minyaev; Maren Pink; Garry F. Warnock; Mark L. Winzenburg; Victor G. Young","Synthesis, Isolation, and Characterization of Trisodium Tricarbonyliridate (3-), Na3[Ir(CO)3]. Initial Studies on Its Derivative Chemistry and Structural Characterizations of trans-[Ir(CO)3(EPh3)2]-, E = Ge, Sn, and trans-[Co(CO)3(SnPh3)2]-,1","Inorganic Chemistry","2001","40","","5279","5284","10.1021/ic0105011","","","0.71073","MoKα","","0.0413","0.0351","","","0.0733","0.0759","","","","","","1.024","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320334","23.804","0.001","9.838","0.0005","20.788","0.001","90","","106.819","0.001","90","","4660","0.4","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","00125","","","- C48 H52 Cl2 Co N O3 Sn2 -","- C48 H52 Cl2 Co N O3 Sn2 -","- C192 H208 Cl8 Co4 N4 O12 Sn8 -","4","1","","Jessica M. Allen; William W. Brennessel; Carrie E. Buss; John E. Ellis; Mikhail E. Minyaev; Maren Pink; Garry F. Warnock; Mark L. Winzenburg; Victor G. Young","Synthesis, Isolation, and Characterization of Trisodium Tricarbonyliridate (3-), Na3[Ir(CO)3]. Initial Studies on Its Derivative Chemistry and Structural Characterizations of trans-[Ir(CO)3(EPh3)2]-, E = Ge, Sn, and trans-[Co(CO)3(SnPh3)2]-,1","Inorganic Chemistry","2001","40","","5279","5284","10.1021/ic0105011","","","0.71073","MoKα","","0.0501","0.033","","","0.0501","0.0538","","","","","","0.922","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320396","13.3995","0.0009","20.1101","0.0014","25.2525","0.0016","90","","99.308","0.002","90","","6715.1","0.8","123","2","123","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C34 H64 F12 N6 O24 P4 Ru2 S6 -","- C34 H55 F12 N6 O24 P4 Ru2 S6 -","- C136 H220 F48 N24 O96 P16 Ru8 S24 -","4","1","","Hiroyasu Sugiyama; Yong-Shou Lin; Hossain; Kazuko Matsumoto","Facile Allylic C-H Bond Activation on the Bridging Disulfide Ligand in the RuIII Dinuclear Complex Having a Conjugated RuSSRu Core","Inorganic Chemistry","2001","40","","5547","5552","10.1021/ic010422p","","","0.71073","MoK?a","","0.1015","0.0775","","","0.1982","0.2163","","","","","","0.987","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320426","9.142","0.0018","22.367","0.005","9.0406","0.0018","90","","117.08","0.03","90","","1646","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H31 N3 S -","- C13 H31 N3 S -","- C52 H124 N12 S4 -","4","1","","Bernhard Walfort; Angela P. Leedham; Christopher A. Russell; Dietmar Stalke","Triimidosulfonic Acid and Organometallic Triimidosulfonates: S+N- versus SN Bonding","Inorganic Chemistry","2001","40","","5668","5674","10.1021/ic0105009","","","0.71073","MoKα","","0.0274","0.026","","","0.068","0.0687","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320944","10.3943","0.0009","15.4092","0.0014","18.205","0.003","90","","104.754","0.01","90","","2819.7","0.6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H32 Cr Cu K N4 O12 -","- C22 H32 Cr Cu K N4 O12 -","- C88 H128 Cr4 Cu4 K4 N16 O48 -","4","1","","Hao-Yu Shen; Wei-Ming Bu; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Geng-Lin Wang","Three-Dimensional Oxalate-Bridged Heterometal Supramolecular Complex with a Large Helical Tunnel of 21.191 x 9.294 Å2","Inorganic Chemistry","2000","39","","2239","2242","10.1021/ic991325n","","","0.71073","MoKα","","0.0644","0.0481","","0.0756","0.0616","","","","1.151","1.177","1.177","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4320969","21.8318","0.0008","20.7139","0.0008","15.7878","0.0008","90","","112.624","0.001","90","","6590.2","0.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C76.5 H84 N4 O2 Zr -","- C60 H58 N4 O2 Zr -","- C240 H232 N16 O8 Zr4 -","4","1","","Joseph L. Thorman; Ilia A. Guzei; Victor G. Young,; L. Keith Woo","Addition and Metathesis Reactions of Zirconium and Hafnium Imido Complexes","Inorganic Chemistry","2000","39","","2344","2351","10.1021/ic9910007","","","0.71073","MoKα","","0.0828","0.069","","","0.1908","0.2084","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4320979","18.492","0.003","17.329","0.002","10.787","0.001","90","","111.88","","90","","3207.7","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","ASnCl","","","- C20 H43 Cl O4 S4 Sn3 -","- C20 H43 Cl O4 S4 Sn3 -","- C80 H172 Cl4 O16 S16 Sn12 -","4","1","","Raymundo Cea-Olivares; L. Adriana Gómez-Ortiz; Verónica García-Montalvo; Rubén L. Gaviño-Ramírez; Simón Hernández-Ortega","Formation of a Novel Trinuclear Spirostannoxane Tin(IV) Compound. Crystal and Molecular Structure of [Sn(nBu)(Cl){(OCH2CH2S)2Sn(nBu)}2] and the Stannolane [(nBu)Sn(SCH2CH2O)SCH2CH2OH]","Inorganic Chemistry","2000","39","","2284","2288","10.1021/ic991318z","","","0.71073","MoKα","","0.0436","0.0374","","0.0939","0.0893","","","","1.061","","","1.061","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321309","15.715","0.002","12.045","0.002","20.022","0.003","90","","94.863","0.012","90","","3776.3","1","150","","150","","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C34 H54 N3 O5 Re S2 -","- C34 H54 N3 O5 Re S2 -","- C136 H216 N12 O20 Re4 S8 -","4","1","","Kjeld J. C. van Bommel; Willem Verboom; Ron Hulst; Huub Kooijman; Anthony L. Spek; David N. Reinhoudt","Calix[4]arene Rhenium(V) Complexes as Potential Radiopharmaceuticals","Inorganic Chemistry","2000","39","","4099","4106","10.1021/ic000172x","","","0.71073","MoKα","","0.0388","0.0342","","","0.085","0.0878","","","","","","1.035","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321331","14.0535","0.0004","13.722","0.0003","11.398","0.0002","90","","106.057","0.001","90","","2112.26","0.09","188","2","188","2","","","","","","","","5","C 1 c 1","C -2yc","9","HtBuDATI","","","- C23 H27 N3 O2 S -","- C23 H27 N3 O2 S -","- C92 H108 N12 O8 S4 -","4","1","","Katherine J. Franz; Nisha Singh; Bernhard Spingler; Stephen J. Lippard","Aminotroponiminates as Ligands for Potential Metal-Based Nitric Oxide Sensors","Inorganic Chemistry","2000","39","","4081","4092","10.1021/ic000344q","","","0.71073","MoKα","","0.0265","0.0254","","","0.0686","0.0693","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4321447","19.2312","0.0006","11.1552","0.0003","19.8016","0.0004","90","","111.426","0.0001","90","","3954.42","0.18","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H50 Cl3 N6 O19 Yb -","- C24 H48 Cl3 N6 O19 Yb -","- C96 H192 Cl12 N24 O76 Yb4 -","4","1","","Brian M. Rapko; Bruce K. McNamara; Robin D. Rogers; Grant A. Broker; Gregg J. Lumetta; Benjamin P. Hay","Coordination of Lanthanide Triflates and Perchlorates with N,N,N',N'-Tetramethylsuccinamide","Inorganic Chemistry","2000","39","","4858","4867","10.1021/ic000244k","","","0.71073","MoKα","","0.0399","0.0393","","0.1067","0.1036","","","","1.122","1.123","1.123","","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321593","14.3815","0.0005","23.3874","0.0007","21.6404","0.0006","90","","98.017","0.001","90","","7207.5","0.4","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H60 Cl12 P3 Re3 -","- C72 H60 Cl12 P3 Re3 -","- C288 H240 Cl48 P12 Re12 -","4","1","","Daniel Neuman; Patrina Paraskevopoulou; Nikos Psaroudakis; Konstantinos Mertis; Richard J. Staples; Pericles Stavropoulos","Structural and Functional Characteristics of Rhenium Clusters Derived from Redox Chemistry of the Triangular [ReIII3(μ-Cl)3] Core Unit","Inorganic Chemistry","2000","39","","5530","5537","10.1021/ic000449t","","","0.71073","MoKα","","0.0455","0.0359","","","0.0689","0.0748","","","","","","1.116","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321703","24.2381","0.0011","13.4504","0.0006","17.466","0.008","90","","97.069","0.001","90","","5651","3","193","","193","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C59.09 H54.18 Cl4 F6 N1.27 P5 Re -","- C59 H54 Cl4 F6 N P5 Re -","- C236 H216 Cl16 F24 N4 P20 Re4 -","4","1","","Annette L. Suing; Charlotte R. Dewan; Peter S. White; H. Holden Thorp","Ethanol Oxidation by Imidorhenium(V) Complexes: Formation of Amidorhenium(III) Complexes","Inorganic Chemistry","2000","39","","6080","6085","10.1021/ic0007299","","","0.71073","MolybdenumKα","","0.057","0.051","","0.078","0.071","","","","","4.49","4.49","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321826","29.7648","0.0003","14.6496","0.0001","21.762","0.0003","90","","123.397","0.001","90","","7922.27","0.17","298","2","298","2","","","","","","","","8","C 1 c 1","C -2yc","9","[PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)]","Di-(Bis-triphenylphosphonium iminium)(nona-carbonyl-μ~3~,η^2^-sulfur dioxide tri-ferrate)","","- C81.5 H61 Cl Fe3 N2 O11 P4 S -","- C81.5 H61 Cl Fe3 N2 O11 P4 S -","- C326 H244 Cl4 Fe12 N8 O44 P16 S4 -","4","1","","Randal W. Eveland; Casey C. Raymond; T. E. Albrecht-Schmitt; Duward F. Shriver","New SO~2~ Iron-Containing Cluster Compounds [PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)], [PPN]~2~[Fe~3~(CO)~8~(μ-SO2)μ~3~-S], [PPN]~2~[Fe~3~(CO)~8~(μ-SO~2~)(μ~3~-CCO)], and [PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~] From Heterometal Precursors.","Inorganic Chemistry","1999","38","","1282","1287","10.1021/ic980762j","","","0.71073","MoKα","","0.0656","0.0505","","0.125","0.118","","","","1.432","1.51","1.51","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321835","12.516","0.002","21.327","0.003","22.764","0.003","90","","98.281","0.013","90","","6013","1.5","130","2","130","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C57 H56 Cl11 N4 O4 Zn -","- C57 H48 Cl11 N4 O4 Zn -","- C228 H192 Cl44 N16 O16 Zn4 -","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","","0.098","0.0742","","","0.1834","0.2033","","","","","","1.053","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4322021","22.2416","0.0014","8.907","0.0007","18.5029","0.0013","90","","119.528","0.001","90","","3189.4","0.4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15 H45 Al Cl2 N4 P2 Si5 -","- C15 H45 Al Cl2 N4 P2 Si5 -","- C60 H180 Al4 Cl8 N16 P8 Si20 -","4","1","","Neil Burford; Daren J. LeBlanc","Iminophosphine Cycloaddition Reactions of a Diazaphosphoniaaluminatacyclobutane and a Novel Intramolecular Phosphiridine P\ρightarrowP Coordination","Inorganic Chemistry","1999","38","","2248","2249","10.1021/ic9813718","","","0.71073","MoKα","","0.0656","0.0414","","","0.0836","0.091","","","","","","0.979","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322153","21.8","0.002","8.574","0.001","16.148","0.002","90","","130.282","0.004","90","","2302.6","0.5","20","","20","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H23 Cl2 Cu N7 O8 -","- C60 H92 Cl8 Cu4 N28 O36 -","- C60 H92 Cl8 Cu4 N28 O36 -","","","","Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto","Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively","Inorganic Chemistry","1999","38","","3513","3522","10.1021/ic9813260","","","0.7107","MoKalpha","","","0.045","","","0.033","","","","","3.82","3.82","","","","","has coordinates","191075","2020-10-21","18:00:00",""
"4322427","7.8987","0.0008","14.976","0.002","10.7734","0.0013","90","0.02","96.242","0.011","90","0.013","1266.8","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H12 O4 S -","- C14 H12 O4 S -","- C56 H48 O16 S4 -","4","1","","Peter W. Roesky; Markus R. Bürgstein","Bridged Aminotroponiminate Complexes of the Lanthanides","Inorganic Chemistry","1999","38","","5629","5632","10.1021/ic990533c","","","0.71073","MoKa","","0.041","0.0392","","0.116","0.1109","","","","1.079","1.051","1.051","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4322489","12.4723","0.0015","19.554","0.002","12.1846","0.0012","90","","107.484","0.009","90","","2834.3","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H34 Cl2 Cu2 N4 O11 -","- C19 H34 Cl2 Cu2 N4 O11 -","- C76 H136 Cl8 Cu8 N16 O44 -","4","1","","Anbanandam Asokan; Periakaruppan T. Manoharan","1H NMR Studies on Strongly Antiferromagnetically Coupled Dicopper(II) Systems","Inorganic Chemistry","1999","38","","5642","5654","10.1021/ic9803356","","","1.54184","CuKα","","0.0623","0.0591","","0.1682","0.1595","","","","1.001","0.992","0.992","","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4322495","10.4971","0.0001","15.5281","0.0002","16.393","0.0002","90","","101.506","0.001","90","","2618.36","0.05","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H24 N2 O6 P2 Pt -","- C26 H24 N2 O6 P2 Pt -","- C104 H96 N8 O24 P8 Pt4 -","4","1","","Malcolm J. Arendse; Gordon K. Anderson; Nigam P. Rath","Synthesis and Characterization of Platinum(II) Complexes of l-Ascorbic Acid. Crystal Structure of Ascorbato-C2,O5-ethylenediamineplatinum(II) Dihydrate","Inorganic Chemistry","1999","38","","5864","5869","10.1021/ic990152z","","","0.71073","MoKα","","0.0581","0.0391","","","0.0632","0.069","","","","","","1.032","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4322497","37.951","0.004","8.047","0.004","20.882","0.005","90","","93.72","0.01","90","","6364","4","296.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C74 H58 Ag3 Cl3 O12 -","- C74 H42 Ag3 Cl3 O12 -","- C296 H168 Ag12 Cl12 O48 -","4","1","","Megumu Munakata; Liang Ping Wu; Kunihisa Sugimoto; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Naoto Maeno; Motoshi Fujita","Silver(I) Complex Assemblies with Nonplanar Aromatic Compounds","Inorganic Chemistry","1999","38","","5674","5680","10.1021/ic990391m","","","0.7107","MoKα","","","0.0542","","","","0.067","","","","","","1.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322577","21.5801","0.0005","10.3554","0.0002","20.1249","0.0005","90","","118.318","0.001","90","","3959.12","0.16","200","0.1","200","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H52 F6 Fe O9 P4 S2 -","- C23 H48 F6 Fe O9 P4 S2 -","- C92 H192 F24 Fe4 O36 P16 S8 -","4","1","","Shaun E. Landau; Robert H. Morris; Alan J. Lough","Acidic Dicationic Iron(II) Dihydrogen Complexes and Compounds Related by H2 Substitution","Inorganic Chemistry","1999","38","","6060","6068","10.1021/ic990876a","","","0.71073","MoKα","","0.0599","0.0566","","0.1682","0.164","","","","1.033","1.045","1.045","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322893","20.747","0.001","14.515","0.0009","18.162","0.002","90","","121.196","0.006","90","","4678.5","0.7","173","","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H43 Cl2 N2 O4 P2 Re -","- C53 H43 Cl2 N2 O4 P2 Re -","- C212 H172 Cl8 N8 O16 P8 Re4 -","4","1","","Jean-Pierre Djukic; Karl Heinz Dötz; Michel Pfeffer; André De Cian; Jean Fischer","Reaction of Organolithium Reagents with Tetracarbonyl[2-(phenyl-κC2'),pyridine-κN]rhenium(I): Isolation and Structural Characterization of Acyl Rhenate Species","Inorganic Chemistry","1998","37","","3649","3651","10.1021/ic980016e","","","0.71073","Mo-Kα","","0.033","0.029","","0.061","0.041","","","","1.564","1.061","1.061","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323157","9.814","0.005","22.472","0.003","21.1029","0.0017","90","","92.522","0.017","90","","4650","2","122","2","122","2","","","","","","","","7","C 1 c 1","C -2yc","9","","trans-fluorooxo-bis(diphenylphosphinoethane)tungsten(IV)tetrafluoroborate.","","- C52 H48 B F5 O P4 W -","- C52 H48 B F5 O P4 W -","- C208 H192 B4 F20 O4 P16 W4 -","4","1","","Jesper Bendix; Anders Bøgevig","Synthesis and Characterization of a Stable trans-Dioxo Tungsten(IV) Complex and Series of Mono-Oxo Molybdenum(IV) and Tungsten(IV) Complexes. Structural and Electronic Effects of π-Bonding in trans-[M(O)(X)(dppe)2]+/0 Systems","Inorganic Chemistry","1998","37","","5992","6001","10.1021/ic980342u","","","0.71073","MoKα","","0.0343","0.0306","","","0.062","0.0636","","","","","","1.178","","","","has coordinates,has disorder","179334","2020-10-21","18:00:00",""
"4323180","19.2967","0.0001","11.0937","0.0001","23.1386","0.0003","90","","111.702","0.001","90","","4602.23","0.08","296","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H44 F3 N4 O5 S Tl -","- C53 H44 F3 N4 O5 S Tl -","- C212 H176 F12 N16 O20 S4 Tl4 -","4","1","","Jo-Yu Tung; Jyh-Horung Chen; Feng-Ling Liao; Sue-Lein Wang; Lian-Pin Hwang","Six-Coordinate Thallium(III) Porphyrin Triflate: Synthesis, Physiochemical Characteristics, and X-ray Crystal Structure of (Trifluoromethanesulfonato)(tetrahydrofuran) (meso-tetraphenylporphyrinato)thallium(III) Tetrahydrofuran Solvate, [Tl(tpp)(OSO2CF3)(THF).THF]","Inorganic Chemistry","1998","37","","6104","6108","10.1021/ic9803199","","","0.71073","MoKα","","","0.0298","","","0.0413","","","","","1.07","1.07","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323292","22.451","0.003","11.8408","0.0014","25.698","0.003","90","","110.833","0.008","90","","6384.9","1.4","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C13 N15 O49 P Rh2 S2 W11 -","- C13 N15 O49 P Rh2 S2 W11 -","- C52 N60 O196 P4 Rh8 S8 W44 -","4","1","","Xinyi Wei; Michael H. Dickman; Michael T. Pope","New Routes for Multiple Derivatization of Polyoxometalates. Bis(acetato)dirhodium-11-tungstophosphate, [(PO4)W11O35{Rh2(OAc)2}]5-","Inorganic Chemistry","1997","36","","130","131","10.1021/ic960991a","","","0.71073","MoKα","","0.0526","0.0468","","0.1146","0.1119","","","","1.103","1.121","1.121","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323315","16.465","0.005","11.149","0.003","8.939","0.003","90","","107.93","0.01","90","","1561.2","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H4 K2 O17 Zr -","- C8 H2 K2 O17 Zr -","- C32 H8 K8 O68 Zr4 -","4","1","","Ricardo Baggio; Maria Teresa Garland; Mireille Perec","Preparation and X-ray Crystal Structure of the Polymeric Zirconium(IV) Oxalate Complex [K2{Zr(C2O4)3}.H2C2O4.H2O]n","Inorganic Chemistry","1997","36","","737","739","10.1021/ic960987z","","","0.71073","MoKα","","0.0326","0.0291","","0.0691","0.0667","","","","1.114","1.121","1.121","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323410","28.881","0.004","10.265","0.001","17.184","0.003","90","","122.73","0.01","90","","4285.6","1.1","298","2","298","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C36.2 H41 Cl2 F6 Fe N6 O2.3 P V -","- C36.2 H38 Cl2 F6 Fe N6 O2.3 P V -","- C144.8 H152 Cl8 F24 Fe4 N24 O9.2 P4 V4 -","4","1","","David G. McCollum; Glenn P. A. Yap; Louise Liable-Sands; Arnold L. Rheingold; B. Bosnich","Bimetallic Reactivity. Oxo Transfer Reactions with a Heterobimetallic Complex of Iron(II) and Vanadium(III)","Inorganic Chemistry","1997","36","","2230","2235","10.1021/ic9609923","","","0.71073","MoKα","","0.0792","0.0633","","0.1482","0.1356","","","","1.504","1.691","1.691","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323450","18.845","0.008","11.474","0.003","19.836","0.008","90","","100.92","0.03","90","","4211","3","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Berylium-N,N'-Bis(trimethylsilyl)-aminodiphenylphosphinimid","","- C36 H56 Be N4 P2 Si4 -","- C36 H56 Be N4 P2 Si4 -","- C144 H224 Be4 N16 P8 Si16 -","4","1","","Roland Fleischer; Dietmar Stalke","Syntheses and Structures of [(THF)nM{(NSiMe3)2PPh2}2] Complexes (M = Be, Mg, Ca, Sr, Ba;n= 0-2): Deviation of Alkaline Earth Metal Cations from the Plane of an Anionic Ligand","Inorganic Chemistry","1997","36","","2413","2419","10.1021/ic9613117","","","0.71073","MoKa","","0.0287","0.0264","","0.0671","0.0658","","","","1.032","1.041","1.041","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323454","21.618","0.014","9.878","0.005","19.949","0.013","90","","109.51","0.04","90","","4015","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H63 Cl2 O9 Ti2 Y -","- C27 Cl2 O9 Ti2 Y -","- C108 Cl8 O36 Ti8 Y4 -","4","1","","Michael Veith; Sanjay Mathur; Volker Huch","Synthesis and Characterization of New Alkoxotitanates of Yttrium, Barium, and Copper: Single Crystal X-ray Diffraction Structures of Cl2Y{Ti2(OPri)9}, {Ti(OPri)5}Ba{Ti2(OPri)9}, and ClCu{Ti2(OPri)9}","Inorganic Chemistry","1997","36","","2391","2399","10.1021/ic9613218","","","0.71073","MoKα","","0.0811","0.0595","","0.1931","0.1762","","","","1.124","1.158","1.158","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323465","30.565","0.004","7.2406","0.0013","13.915","0.002","90","","90.626","0.007","90","","3079.3","0.8","249","2","249","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H19 Cl3 N Nb O2 -","- C8 H19 Cl3 N Nb O2 -","- C64 H152 Cl24 N8 Nb8 O16 -","8","2","","Andrey V. Korolev; Arnold L. Rheingold; Darryl S. Williams","A General Route to Labile Niobium and Tantalum d0 Monoimides. Discussion of Metal-Nitrogen Vibrational Modes","Inorganic Chemistry","1997","36","","2647","2655","10.1021/ic961360j","","","0.71073","MoKα","","0.0462","0.0392","","0.1107","0.1025","","","","0.991","1.052","1.052","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323511","21.63","0.01","14.49","0.03","21.04","0.02","90","","109.7","0.03","90","","6208","14","253","","253","","","","","","","","?","4","C 1 c 1","C -2yc","9","","","","- C45 H100 Lu4 O20 -","- C45 H99 Lu4 O20 -","- C180 H396 Lu16 O80 -","4","1","","Reiner Anwander; Florian C. Munck; Thomas Priermeier; Wolfgang Scherer; Oliver Runte; Wolfgang A. Herrmann","Volatile Donor-Functionalized Alkoxy Derivatives of Lutetium and Their Structural Characterization1","Inorganic Chemistry","1997","36","","3545","3552","10.1021/ic9700157","","","0.71073","MoKa","","","0.067","","","0.075","","","","","1.3439","1.3439","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323664","20.488","0.009","15.073","0.007","18.936","0.008","90","","97.64","0.03","90","","5796","4","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C0 H49 Na6 O67 V19 -","- Na6 O67 V19 -","- Na24 O268 V76 -","4","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71069","MoKα","","0.0923","0.0747","","0.2147","0.1927","","","","1.38","1.462","1.462","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323730","18.333","0.012","20.664","0.014","10.18","0.006","90","","109.65","0.05","90","","3632","4","130","2","130","2","","","","","","","synthetic","3","C 1 c 1","C -2yc","9","DEtTPP","2,3-Diethyl-5,10,15,20-tetraphenylporphyrin","","- C48 H38 N4 -","- C48 H38 N4 -","- C192 H152 N16 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.0666","0.0515","","0.1598","0.1374","","","","0.792","0.753","0.753","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323746","17.284","0.005","21.509","0.006","16.118","0.004","90","","111.55","0.02","90","","5573","3","126","2","126","2","","","","","","","","5","C 1 c 1","C -2yc","9","Zn(II)HEtTPP(pyr)","(Pyridine)(2,3,7,8,12,13-Hexaethyl-5,10,15,20- tetraphenylporphyrinato)zinc(II)","","- C63 H61 Cl4 N5 Zn -","- C63 H61 Cl4 N5 Zn -","- C252 H244 Cl16 N20 Zn4 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.0454","0.0376","","0.0955","0.0875","","","","1.02","1.019","1.019","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323754","21.417","0.004","12.6755","0.0019","19.231","0.004","90","","116.55","0.016","90","","4670.1","1.6","293","","293","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C43 H42 Fe3 Mn2 N2 O13 P2 -","- C43 H42 Fe3 Mn2 N2 O13 P2 -","- C172 H168 Fe12 Mn8 N8 O52 P8 -","4","1","","Boyce E. Collins; Yoshihiro Koide; Cynthia K. Schauer; Peter S. White","Structures, Bonding, Infrared Spectroscopy, and Two-Electron Reduction Potentials of the Coordinated Metallopnictanes Fe3(CO)9(μ3-EMLn)2 (E = P, As, Sb; MLn= Cr(CO)5, MnCp(CO)2)","Inorganic Chemistry","1997","36","","6172","6183","10.1021/ic970786a","","","0.7093","MolybdenumKα","","0.118","0.063","","0.062","0.058","","","","","1.42","1.42","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324045","8.01","0.002","31.256","0.003","18.753","0.003","90","","90.83","0.02","90","","4694.5","1.5","148","2","148","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 B2 N4 Zn -","- C24 H28 B2 N4 Zn -","- C192 H224 B16 N32 Zn8 -","8","2","","Thomas G. Hodgkins; Douglas R. Powell","Derivatives of the Dimethylbis(2-pyridyl)borate(1-) Ion: Synthesis and Structure","Inorganic Chemistry","1996","35","","2140","2148","10.1021/ic950775m","","","0.71073","MoKα","","0.0889","0.0667","","0.1958","0.1744","","","","1.045","1.04","1.04","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324207","25.107","0.005","15.411","0.005","7.544","0.005","90","","106.999","0.005","90","","2791","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H14 Cd N2 O10 -","- C24 H14 Cd N2 O10 -","- C96 H56 Cd4 N8 O40 -","4","1","","Manish K. Sharma; Irena Senkovska; Stefan Kaskel; Parimal K. Bharadwaj","Three-Dimensional Porous Cd(II) Coordination Polymer with Large One-Dimensional hexagonal Channels: High Pressure CH4 and H2 Adsorption Studies","Inorganic Chemistry","2011","50","","539","544","10.1021/ic101412p","","","0.71069","MoKα","","0.0855","0.0603","","","0.1436","0.1864","","","","","","1.098","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324297","9.4281","0.0003","18.9355","0.0007","13.3689","0.0005","90","","91.056","0.002","90","","2386.29","0.15","295","","295","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H26 Cl2 Cu N4 O2 -","- C21 H26 Cl2 Cu N4 O2 -","- C84 H104 Cl8 Cu4 N16 O8 -","4","1","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia; Alfonso Grassi","Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection","Inorganic Chemistry","2011","50","","900","910","10.1021/ic101467s","","","0.71073","MoKα","","0.0482","0.0365","","","0.0864","0.0948","","","","","","1.053","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324299","9.1544","0.0008","14.4953","0.0013","15.0072","0.0014","90","","103.606","0.004","90","","1935.5","0.3","295","","295","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H20 Cl2 N4 O Zn -","- C17 H20 Cl2 N4 O Zn -","- C68 H80 Cl8 N16 O4 Zn4 -","4","1","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia; Alfonso Grassi","Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection","Inorganic Chemistry","2011","50","","900","910","10.1021/ic101467s","","","0.71073","MoKα","","0.0815","0.0636","","","0.1516","0.1717","","","","","","1.024","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324557","11.845","0.004","6.9682","0.0019","20.253","0.007","90","","103.723","0.005","90","","1623.9","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B6 Ge3 O17 Rb4 -","- B6 Ge3 O17 Rb4 -","- B24 Ge12 O68 Rb16 -","4","1","","Jian-Han Zhang; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study","Inorganic Chemistry","2011","50","","1973","1982","10.1021/ic102451n","","","0.71073","MoKα","","0.0156","0.0152","","","0.0354","0.0355","","","","","","1.041","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324591","12.5916","0.0013","31.223","0.003","8.4416","0.0009","90","","120.802","0.002","90","","2850.7","0.5","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","cis-[Pt(CH2C6H4Cl)2(PEt3)2]","","","- C26 H42 Cl2 P2 Pt -","- C26 H42 Cl2 P2 Pt -","- C104 H168 Cl8 P8 Pt4 -","4","1","","Emanuela Guido; Giuseppina D'Amico; Nino Russo; Emilia Sicilia; Silvia Rizzato; Alberto Albinati; Andrea Romeo; M. Rosaria Plutino; Raffaello Romeo","Mechanistic Insight into Protonolysis and Cis-Trans Isomerization of Benzylplatinum(II) Complexes Assisted by Weak Ligand-to-Metal Interactions. A Combined Kinetic and DFT Study","Inorganic Chemistry","2011","50","","2224","2239","10.1021/ic101879s","","","0.71073","MoKα","","0.0352","0.027","","","0.0601","0.0645","","","","","","1.047","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324667","6.4476","0.0015","16.741","0.004","10.964","0.003","90","","90.675","0.002","90","","1183.4","0.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Uranyl borate","","","- B8 O17 U -","- B8 O17 U -","- B32 O68 U4 -","4","1","","Shuao Wang; Eric M. Villa; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Role of Anions and Reaction Conditions in the Preparation of Uranium(VI), Neptunium(VI), and Plutonium(VI) Borates","Inorganic Chemistry","2011","50","","2527","2533","10.1021/ic102356d","","","0.71073","MoKα","","0.0341","0.03","","","0.06","0.0612","","","","","","1.063","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324668","6.4426","0.0008","16.705","0.002","10.9843","0.0013","90","","90.766","0.001","90","","1182.1","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Neptuyl(VI) borate","","","- B8 Np O17 -","- B8 Np O17 -","- B32 Np4 O68 -","4","1","","Shuao Wang; Eric M. Villa; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Role of Anions and Reaction Conditions in the Preparation of Uranium(VI), Neptunium(VI), and Plutonium(VI) Borates","Inorganic Chemistry","2011","50","","2527","2533","10.1021/ic102356d","","","0.71073","MoKα","","0.0299","0.0247","","","0.0515","0.0531","","","","","","1.037","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324669","6.4391","0.0008","16.714","0.002","10.9648","0.0013","90","","90.744","0.001","90","","1180","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Plutonyl(VI) borate","","","- B8 O17 Pu -","- B8 O17 Pu -","- B32 O68 Pu4 -","4","1","","Shuao Wang; Eric M. Villa; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Role of Anions and Reaction Conditions in the Preparation of Uranium(VI), Neptunium(VI), and Plutonium(VI) Borates","Inorganic Chemistry","2011","50","","2527","2533","10.1021/ic102356d","","","0.71073","MoKα","","0.0208","0.0205","","","0.0471","0.0473","","","","","","1.073","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324689","15.762","0.004","8.8893","0.0016","14.129","0.003","90","","90.822","0.016","90","","1979.5","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H26 N9 P -","- C16 H26 N9 P -","- C64 H104 N36 P4 -","4","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71073","MoKα","","0.0366","0.0334","","","0.0836","0.0857","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324752","36.781","0.003","8.0506","0.0006","18.6868","0.0013","90","","119.938","0.005","90","","4795","0.7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H36 Ag2 Cl2 Fe2 N10 O23 -","- C30 H36 Ag2 Cl2 Fe2 N10 O23 -","- C120 H144 Ag8 Cl8 Fe8 N40 O92 -","4","1","","Sanjit Nayak; Klaus Harms; Stefanie Dehnen","New Three-Dimensional Metal-Organic Framework with Heterometallic [Fe-Ag] Building Units: Synthesis, Crystal Structure, and Functional Studies","Inorganic Chemistry","2011","50","","2714","2716","10.1021/ic1019636","","","0.71073","MoKα","","0.1338","0.064","","","0.1276","0.1506","","","","","","0.839","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324783","9.715","0.005","16.042","0.009","13.639","0.007","90","","93.66","0.04","90","","2121","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","triphenyl[(1,2λ^4^σ^3^,3-benzodithiazol-2-yl)imino]-λ^5^- phosphane","","- C24 H19 N2 P S2 -","- C24 H19 N2 P S2 -","- C96 H76 N8 P4 S8 -","4","1","","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","","0.0801","0.05","","","0.102","0.1169","","","","","","1.081","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324794","14.805","0.007","8.516","0.004","13.514","0.01","90","","113.942","0.005","90","","1557.2","1.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B7 Ba3 Ge2 H5 O20 -","- B7 Ba3 Ge2 H3 O20 -","- B28 Ba12 Ge8 H12 O80 -","4","1","","Jian-Han Zhang; Fang Kong; Jiang-Gao Mao","Ba3[Ge2B7O16(OH)2](OH)(H2O) and Ba3Ge2B6O16: Novel Alkaline-Earth Borogermanates Based on Two Types of Polymeric Borate Units and GeO4 Tetrahedra","Inorganic Chemistry","2011","50","","3037","3043","10.1021/ic1025697","","","0.71073","MoKα","","0.0297","0.0288","","","0.0675","0.0684","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324828","24.97","0.02","4.368","0.003","22.706","0.019","90","","116.366","0.015","90","","2219","3","293.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H8 Cu F12 N4 -","- C24 H8 Cu F12 N4 -","- C96 H32 Cu4 F48 N16 -","4","1","","Thomas, Kolle E.; Conradie, Jeanet; Hansen, Lars Kristian; Ghosh, Abhik","Corroles Cannot Ruffle","Inorganic Chemistry","2011","50","8","3247","3251","10.1021/ic1017032","","","0.7107","MoKα","","","0.0462","","","","0.0765","","","","","","1.332","","","","has coordinates","210344","2020-10-21","18:00:00",""
"4324991","22.457","0.003","35.297","0.004","27.478","0.003","90","","113.23","0.002","90","","20015","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85.5 H115.5 Fe2 K2 N12.5 O19.5 -","- C85.5 H115.5 Fe2 K2 N12.5 O19.5 -","- C684 H924 Fe16 K16 N100 O156 -","8","2","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","0.71073","MoKα","","0.0914","0.0678","","","0.1731","0.1873","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324994","22.217","0.0005","35.2641","0.0008","27.4328","0.0008","90","","112.435","0.001","90","","19865.9","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85.5 H115.5 K2 Mn2 N12.5 O19.5 -","- C85.5 H115.5 K2 Mn2 N12.5 O19.5 -","- C684 H924 K16 Mn16 N100 O156 -","8","2","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","1.54178","CuKα","","0.0691","0.0587","","","0.1597","0.1684","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324995","22.2311","0.0004","35.1796","0.0006","27.2846","0.0005","90","","112.846","0.001","90","","19664.8","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85.5 H115.5 K2 N12.5 Ni2 O19.5 -","- C85.5 H115.5 K2 N12.5 Ni2 O19.5 -","- C684 H924 K16 N100 Ni16 O156 -","8","2","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","1.54178","CuKα","","0.0666","0.061","","","0.1735","0.1803","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324996","22.2621","0.0014","35.414","0.002","27.293","0.002","90","","112.816","0.001","90","","19834","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85.5 H115.5 K2 N12.5 O19.5 Zn2 -","- C85.5 H115.5 K2 N12.5 O19.5 Zn2 -","- C684 H924 K16 N100 O156 Zn16 -","8","2","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","0.71073","MoKα","","0.083","0.0582","","","0.1455","0.1578","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325093","29.695","0.0006","12.939","0.0004","18.558","0.0005","90","","91.387","0.002","90","","7128.3","0.3","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H50 Cl3 N3 Ti -","- C34 H50 Cl3 N3 Ti -","- C272 H400 Cl24 N24 Ti8 -","8","2","","Awal Noor; Winfried P. Kretschmer; Germund Glatz; Rhett Kempe","Highly Active Titanium-Based Olefin Polymerization Catalysts Bearing Bulky Aminopyridinato Ligands","Inorganic Chemistry","2011","50","","4598","4606","10.1021/ic200318h","","","0.71069","MoKα","","0.0518","0.0328","","","0.0676","0.0702","","","","","","0.752","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325101","16.77","0.004","9.657","0.002","17.881","0.004","90","","115.304","0.002","90","","2617.9","1","140","1","140","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H23 Br3 Ce N5 -","- C25 H23 Br3 Ce N5 -","- C100 H92 Br12 Ce4 N20 -","4","1","","Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen","An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates","Inorganic Chemistry","2011","50","","4627","4631","10.1021/ic200353s","","","0.71073","MoKα","","0.0297","0.0257","","","0.0545","0.0567","","","","","","1.032","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325140","16.5501","0.001","10.9479","0.0009","15.9208","0.001","90","","95.958","0.005","90","","2869.1","0.3","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","tris(triethylphosphino)-copper-phenylthiolate","phenylsulfido-tris(triethylphosphine)-copper","","- C24 H50 Cu P3 S -","- C24 H50 Cu P3 S -","- C96 H200 Cu4 P12 S4 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0291","0.0275","","","0.0673","0.0697","","","","","","1.023","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325141","16.642","0.0015","10.9725","0.0007","16.0053","0.0013","90","","95.508","0.007","90","","2909.1","0.4","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","tris(triethylphosphino)-copper-phenylselenolate","phenylselenido-tris(triethylphosphine)-copper","","- C24 H50 Cu P3 Se -","- C24 H50 Cu P3 Se -","- C96 H200 Cu4 P12 Se4 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.048","0.0448","","","0.1173","0.1199","","","","","","1.036","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325451","13.4168","0.0004","11.9421","0.0004","15.331","0.0005","90","","115.484","0.001","90","","2217.41","0.12","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","[(py)4TcO2][Cl].2H2O","","","- C20 H24 Cl O4 Tc n4 -","- C20 H24 Cl N4 O4 Tc -","- C80 H96 Cl4 N16 O16 Tc4 -","4","1","","Sayandev Chatterjee; Andrew S. Del Negro; Zheming Wang; Matthew K. Edwards; Frances N. Skomurski; Sean E. Hightower; Jeanette A. Krause; Brendan Twamley; B. Patrick Sullivan; Christian Reber; William R. Heineman; Carl J. Seliskar; Samuel A. Bryan","Electronic and Molecular Structures of trans-Dioxotechnetium(V) Polypyridyl Complexes in the Solid State","Inorganic Chemistry","2011","50","","5815","5823","10.1021/ic200747v","","","0.71073","MoKα","","0.0228","0.0218","","","0.0543","0.055","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325863","12.4131","0.0004","26.1746","0.0008","8.7937","0.0003","90","","91.777","0.001","90","","2855.77","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H25 Cu2 N7 O S3 -","- C27 H25 Cu2 N7 O S3 -","- C108 H100 Cu8 N28 O4 S12 -","4","1","","Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta","Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity","Inorganic Chemistry","2011","50","","7540","7554","10.1021/ic200409d","","","0.71073","MoKα","","0.0435","0.0307","","","0.0494","0.0526","","","","","","1.002","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325918","22.773","0.003","10.1659","0.0012","19.218","0.002","90","","113.359","0.002","90","","4084.5","0.8","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H64 Ca N2 O3 Si -","- C38 H64 Ca N2 O3 Si -","- C152 H256 Ca4 N8 O12 Si4 -","4","1","","Dongming Yang; Yuqiang Ding; Haishun Wu; Wenjun Zheng","Synthesis and Structural Characterization of Alkaline-Earth-Metal Bis(amido)silane and Lithium Oxobis(aminolato)silane Complexes","Inorganic Chemistry","2011","50","","7698","7706","10.1021/ic200748z","","","0.71073","MoKα","","0.0969","0.0556","","","0.1338","0.1601","","","","","","1.038","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326027","19.901","0.005","26.494","0.006","14.477","0.004","90","","105.34","0.03","90","","7361","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H60 N8 Se20 Sn9 -","- C32 H60 N8 Se20 Sn9 -","- C128 H240 N32 Se80 Sn36 -","4","1","","Yumei Lin; Stefanie Dehnen","[BMIm]4[Sn9Se20]: Ionothermal Synthesis of a Selenidostannate with a 3D Open-Framework Structure","Inorganic Chemistry","2011","50","","7913","7915","10.1021/ic200697k","","","0.71073","MoKα","","0.054","0.0432","","","0.0945","0.0973","","","","","","1.011","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326028","13.938","0.003","24.075","0.005","18.854","0.004","90","","106.25","0.03","90","","6074","2","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H60 N8 Se14 Sn6 -","- C32 H60 N8 Se14 Sn6 -","- C128 H240 N32 Se56 Sn24 -","4","1","","Yumei Lin; Stefanie Dehnen","[BMIm]4[Sn9Se20]: Ionothermal Synthesis of a Selenidostannate with a 3D Open-Framework Structure","Inorganic Chemistry","2011","50","","7913","7915","10.1021/ic200697k","","","0.71073","MoKα","","0.0354","0.0337","","","0.0812","0.0852","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326137","13.173","0.007","8.929","0.005","11.84","0.008","90","","100.476","0.01","90","","1369.4","1.4","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H16 Fe N6 O2 -","- C10 H16 Fe N6 O2 -","- C40 H64 Fe4 N24 O8 -","4","1","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","0.71073","MoKα","","0.0664","0.0579","","","0.1268","0.1296","","","","","","1.068","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326138","9.1037","0.0016","15.299","0.003","11.452","0.003","90","","96.194","0.01","90","","1585.7","0.6","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H16 B F4 Fe N5 O3 -","- C9 H16 B F4 Fe N5 O3 -","- C36 H64 B4 F16 Fe4 N20 O12 -","4","1","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","1.54178","CuKα","","0.0469","0.0428","","","0.1083","0.1118","","","","","","1.085","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326347","17.7691","0.0009","10","0.0008","15.4009","0.0006","90","","92.782","0.012","90","","2733.4","0.3","150","1","150","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H42 Ge N4 Si2 -","- C24 H42 Ge N4 Si2 -","- C96 H168 Ge4 N16 Si8 -","4","1","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0759","0.069","","","0.1617","0.1668","","","","","","1.132","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326373","17.476","0.003","9.2817","0.0016","20.552","0.005","90","","111.534","0.011","90","","3101","1.1","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H32 Ni P2 S2 -","- C37 H32 Ni P2 S2 -","- C148 H128 Ni4 P8 S8 -","4","1","","Maria E. Carroll; Bryan E. Barton; Danielle L. Gray; Amanda E. Mack; Thomas B. Rauchfuss","Active-Site Models for the Nickel-Iron Hydrogenases: Effects of Ligands on Reactivity and Catalytic Properties","Inorganic Chemistry","2011","50","","9554","9563","10.1021/ic2012759","","","0.71073","MoKα","","0.0705","0.0453","","","0.0767","0.0843","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326426","14.345","0.002","8.3232","0.0013","8.8793","0.0014","90","","120.694","0.002","90","","911.6","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","M. Sánchez-Andújar; S. Presedo; S. Yáñez-Vilar; S. Castro-García; J. Shamir; M. A. Señarís-Rodríguez","Correction to Characterization of the Order-Disorder Dielectric Transition in the Hybrid Organic-Inorganic Perovskite-like Formate Mn(HCOO)3[(CH3)2NH2]","Inorganic Chemistry","2011","50","","9734","9734","10.1021/ic201638t","","","0.71073","MoKα","","0.0483","0.037","","","0.0837","0.0901","","","","","","1.018","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326504","14.155","0.0006","13.1354","0.0005","36.1275","0.0014","90","","99.612","0.002","90","","6622.9","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H35 Co I2 N P2 -","- C35 H35 Co I2 N P2 -","- C280 H280 Co8 I16 N8 P16 -","8","2","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0375","0.0325","","","0.058","0.0588","","","","","","1.372","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4326527","16.395","0.002","9.219","0.0012","13.7655","0.0017","90","","105.461","0.006","90","","2005.3","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H21 Br N P Si -","- C20 H21 Br N P Si -","- C80 H84 Br4 N4 P4 Si4 -","4","1","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.0277","0.0249","","","0.0608","0.0633","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326555","17.132","0.0018","14.8925","0.0018","13.5549","0.0017","90","","108.537","0.01","90","","3278.9","0.7","180","2","180","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C30 H56 N6 V2 -","- C30 H56 N6 V2 -","- C120 H224 N24 V8 -","4","1","","Christian Lorber; Laure Vendier","Imido-Bridged Homo- and Heterobimetallic Complexes","Inorganic Chemistry","2011","50","","9927","9929","10.1021/ic201466f","","x-ray","0.71073","MoKα","","0.1461","0.0576","","","0.078","0.0959","","","","","","0.771","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326599","18.9608","0.0016","16.9505","0.0015","15.6072","0.0013","90","","109.088","0.001","90","","4740.3","0.7","105","2","105","2","","","","","","","","9","C 1 c 1","C -2yc","9","FeCr2(dpa)4Cl(OTf)*2CH2Cl2","","","- C43 H36 Cl5 Cr2 F3 Fe N12 O3 S -","- C43 H36 Cl5 Cr2 F3 Fe N12 O3 S -","- C172 H144 Cl20 Cr8 F12 Fe4 N48 O12 S4 -","4","1","","Michael Nippe; Yevgeniya Turov; John F. Berry","Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains","Inorganic Chemistry","2011","50","","10592","10599","10.1021/ic2011309","","","0.71073","MoKα","","0.0511","0.0388","","","0.1012","0.1168","","","","","","0.836","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326600","18.9813","0.0017","16.9171","0.0015","15.6408","0.0014","90","","108.93","0.001","90","","4750.8","0.7","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C43 H36 Cl5 Cr2 F3 Mn N12 O3 S -","- C43 H36 Cl5 Cr2 F3 Mn N12 O3 S -","- C172 H144 Cl20 Cr8 F12 Mn4 N48 O12 S4 -","4","1","","Michael Nippe; Yevgeniya Turov; John F. Berry","Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains","Inorganic Chemistry","2011","50","","10592","10599","10.1021/ic2011309","","","0.71073","MoKα","","0.0374","0.0315","","","0.0791","0.0891","","","","","","1.128","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326601","34.4912","0.0009","17.8894","0.0005","16.83","0.0004","90","","108.302","0.001","90","","9859.3","0.4","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C43.7 H35.4 Cl Cr2 F6 Fe N12 O6.3 S2 -","- C43.7 H35.4 Cl Cr2 F6 Fe N12 O6.3 S2 -","- C349.6 H283.2 Cl8 Cr16 F48 Fe8 N96 O50.4 S16 -","8","2","","Michael Nippe; Yevgeniya Turov; John F. Berry","Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains","Inorganic Chemistry","2011","50","","10592","10599","10.1021/ic2011309","","","1.54178","CuKα","","0.0484","0.0467","","","0.1312","0.1323","","","","","","1.348","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326603","18.861","0.002","16.9998","0.0019","15.5741","0.0017","90","","109.33","0.002","90","","4712.1","0.9","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C43 H36 Cl5 Co Cr2 F3 N12 O3 S -","- C43 H36 Cl5 Co Cr2 F3 N12 O3 S -","- C172 H144 Cl20 Co4 Cr8 F12 N48 O12 S4 -","4","1","","Michael Nippe; Yevgeniya Turov; John F. Berry","Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains","Inorganic Chemistry","2011","50","","10592","10599","10.1021/ic2011309","","","0.71073","MoKα","","0.0564","0.0501","","","0.1225","0.1276","","","","","","1.06","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326638","19.316","0.001","17.068","0.001","21.141","0.002","90","","102.624","0.002","90","","6801.4","0.8","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C55 H82 Ag2 F12 N8 O P2 S2 -","- C54.97 H81.94 Ag2 F12 N8 O0.99 P2 S2 -","- C219.88 H327.76 Ag8 F48 N32 O3.96 P8 S8 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0553","0.0387","","","0.0769","0.0836","","","","","","1.001","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326756","13.8625","0.0008","10.0064","0.0008","16.7283","0.001","90","","106.967","0.004","90","","2219.4","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","2a","","","- C16 H35 K O7 Si -","- C16 H35 K O7 Si -","- C64 H140 K4 O28 Si4 -","4","1","","David J. Wolstenholme; Paul D. Prince; G. Sean McGrady; Michael J. Landry; Jonathan W. Steed","Structure and Bonding of KSiH3 and Its 18-Crown-6 Derivatives: Unusual Ambidentate Behavior of the SiH3- Anion","Inorganic Chemistry","2011","50","","11222","11227","10.1021/ic201774x","","","0.71073","MoKα","","0.0637","0.0425","","","0.0837","0.0908","","","","","","1.011","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326768","10.314","0.004","17.255","0.007","19.572","0.009","90","","93.301","0.009","90","","3477","3","100","1","100","1","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C45 H88 Cl4 Fe4 Mo2 N6 O3 S8 -","- C45 H88 Cl4 Fe4 Mo2 N6 O3 S8 -","- C90 H176 Cl8 Fe8 Mo4 N12 O6 S16 -","2","0.5","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.104","0.0638","","","0.1301","0.1451","","","","","","1.082","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326785","9.6785","0.0005","13.9686","0.0008","19.821","0.0011","90","","91.354","0.001","90","","2679","0.3","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 Co2 N10 S4 -","- C16 H18 Co2 N10 S4 -","- C64 H72 Co8 N40 S16 -","4","1","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Dinuclear [CoII(NCMe)5CoII(NCS)4] Possessing Octahedral and Tetrahedral CoIISites","Inorganic Chemistry","2011","50","","10546","10548","10.1021/ic201832d","","","0.71073","MoKα","","0.0197","0.0193","","","0.0446","0.045","","","","","","1.032","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4327087","45.936","0.004","12.7624","0.001","25.324","0.002","90","","107.793","0.001","90","","14136","2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H108 N3 Na Nb O6 P5 -","- C63 H108 N3 Na Nb O6 P5 -","- C504 H864 N24 Na8 Nb8 O48 P40 -","8","2","","Daniel Tofan; Brandi M. Cossairt; Christopher C. Cummins","White Phosphorus Activation at a Metal-Phosphorus Triple Bond: a New Route to cyclo-Triphosphorus or cyclo-Pentaphosphorus Complexes of Niobium","Inorganic Chemistry","2011","50","","12349","12358","10.1021/ic2014607","","","0.71073","MoKα","","0.0579","0.0403","","","0.0874","0.0969","","","","","","1.031","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327208","21.2691","0.001","27.751","0.002","19.323","0.0012","90","","119.177","0.003","90","","9958.1","1.1","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","6","C 1 c 1","C -2yc","9","[Fe3Cl4(DME)5][Fe4(mu3-NtBu)4Cl4]2.DME","","","- C56 H132 Cl12 Fe11 N8 O12 -","- C56 H132 Cl12 Fe11 N8 O12 -","- C224 H528 Cl48 Fe44 N32 O48 -","4","1","","Jeremiah S. Duncan; Michael J. Zdilla; Sonny C. Lee","Synthesis and Elaboration of the Dinuclear Iron-Imide Cluster Core [Fe2(μ-NR)2]2+","Inorganic Chemistry","2007","46","","1071","1080","10.1021/ic061133+","","","0.71073","MoKα","","0.0892","0.0658","","0.1566","0.1444","","","","1.034","1.096","1.096","","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327335","11.0251","0.0008","21.066","0.0015","18.6203","0.0013","90","","93.831","0.002","90","","4315","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","5","","","- C34 H39 Ag3 B3 F12 N11 -","- C34 H39 Ag3 B3 F12 N11 -","- C136 H156 Ag12 B12 F48 N44 -","4","1","","Vincent J. Catalano; Adam L. Moore","Mono-, Di-, and Trinuclear Luminescent Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes Derived from the Picolyl-Substituted Methylimidazolium Salt: 1-Methyl-3-(2-pyridinylmethyl)-1H-imidazolium Tetrafluoroborate","Inorganic Chemistry","2005","44","","6558","6566","10.1021/ic050604+","","","0.71073","MoKα","","0.0444","0.0366","","","0.0531","0.0556","","","","","","1.003","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327574","14.9925","0.0014","11.4067","0.0012","17.417","0.002","90","","105.39","0.009","90","","2871.8","0.5","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Dichloro(methoxydiphenylphosphine)(2-pyridylmethyldiphenylphosphine)nickel(II)","","- C31 H29 Cl2 N Ni O P2 -","- C31 H29 Cl2 N Ni O P2 -","- C124 H116 Cl8 N4 Ni4 O4 P8 -","4","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.0675","0.0375","","","0.0935","0.104","","","","","","1.118","","","","has coordinates","179378","2020-10-21","18:00:00",""
"4327616","19.43","0.001","19.062","0.003","19.859","0.004","90","","91.06","0.01","90","","7354","1.9","213","2","213","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C55 H99 Fe4 N Na2 O23 -","- C55 H99 Fe4 N Na2 O23 -","- C220 H396 Fe16 N4 Na8 O92 -","4","1","","Remle Çelenligil-Çetin; Richard J. Staples; Pericles Stavropoulos","Synthesis, Characterization, and Reactivity of Ferrous and Ferric Oxo/Peroxo Pivalate Complexes in Relation to Gif-Type Oxygenation of Substrates","Inorganic Chemistry","2000","39","","5838","5846","10.1021/ic000261+","","","0.71073","MoKα","","0.0802","0.043","","","0.1188","0.1553","","","","","","1.034","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327711","17.134","0.004","30.08","0.005","17.048","0.004","90","","115.76","0.02","90","","7913","3","178","2","178","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37 H51 Au N P S5 -","- C37 H51 Au N P S5 -","- C296 H408 Au8 N8 P8 S40 -","8","2","","Elena Cerrada; Peter G. Jones; Antonio Laguna; Mariano Laguna","Synthesis and Reactivity of Heteroleptic Complexes of Gold with 2-Thioxo-1,3-dithiole-4,5-dithiolate (dmit). X-ray Structure of [Au~2~(μ-dmit)(PPh~3~)~2~], NBu~4~[Au(dmit)(PPh~3~)] and PPN[Au(dmit)(C~6~F~5~)~2~]","Inorganic Chemistry","1996","35","","2995","3000","10.1021/ic950893+","","","0.71073","MoKα","","0.0648","0.0411","","0.1028","0.0898","","","","1.01","1.001","1.001","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327729","49.906","0.002","9.3466","0.0004","16.6736","0.0008","90","","101.978","0.001","90","","7608.1","0.6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H54 Ag F6 N6 O2 P -","- C30 H54 Ag F6 N6 O2 P -","- C240 H432 Ag8 F48 N48 O16 P8 -","8","2","","Tina H. T. Hsu; Jaishri J. Naidu; Bi-Jiuan Yang; Meng-Ying Jang; Ivan J. B. Lin","Self-Assembly of Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes in Solid State, Mesophase, and Solution","Inorganic Chemistry","2012","51","","98","108","10.1021/ic2011343","","","0.71073","MoKα","","0.0742","0.0441","","","0.1097","0.1414","","","","","","0.927","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327745","16.831","0.004","10.7496","0.0015","7.4661","0.0014","90","","105.97","0.02","90","","1298.7","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","[C3mim][HgCl3]","1-propyl-3-methylimidazolium trixchloridomercurate(II)","","- C7 H13 Cl3 Hg N2 -","- C7 H13 Cl3 Hg N2 -","- C28 H52 Cl12 Hg4 N8 -","4","1","","Bert Mallick; Andreas Metlen; Mark Nieuwenhuyzen; Robin D. Rogers; Anja-Verena Mudring","Mercuric Ionic Liquids: [Cnmim][HgX3], Where n = 3, 4 and X = Cl, Br","Inorganic Chemistry","2012","51","","193","200","10.1021/ic201415d","","","0.71073","MoKα","","0.0869","0.0527","","","0.1193","0.128","","","","","","0.859","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327746","17.318","0.003","10.741","0.0015","7.4706","0.0013","90","","105.59","0.013","90","","1338.5","0.4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","[C4mim][HgCl3]","1-butyl-3-methylimidazolium trixchloridomercurate(II)","","- C8 H15 Cl3 Hg N2 -","- C8 H15 Cl3 Hg N2 -","- C32 H60 Cl12 Hg4 N8 -","4","1","","Bert Mallick; Andreas Metlen; Mark Nieuwenhuyzen; Robin D. Rogers; Anja-Verena Mudring","Mercuric Ionic Liquids: [Cnmim][HgX3], Where n = 3, 4 and X = Cl, Br","Inorganic Chemistry","2012","51","","193","200","10.1021/ic201415d","","","0.71073","MoKα","","0.0404","0.0347","","","0.0885","0.09","","","","","","1.036","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327748","17.093","0.003","11.0498","0.0014","7.8656","0.0012","90","","106.953","0.013","90","","1421.1","0.4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","[C4mim][HgBr3]","1-butyl-3-methylimidazolium trisbromidomercurate(II)","","- C8 H15 Br3 Hg N2 -","- C8 H15 Br3 Hg N2 -","- C32 H60 Br12 Hg4 N8 -","4","1","","Bert Mallick; Andreas Metlen; Mark Nieuwenhuyzen; Robin D. Rogers; Anja-Verena Mudring","Mercuric Ionic Liquids: [Cnmim][HgX3], Where n = 3, 4 and X = Cl, Br","Inorganic Chemistry","2012","51","","193","200","10.1021/ic201415d","","","0.71073","MoKα","","0.0606","0.0549","","","0.1645","0.1704","","","","","","1.174","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327816","16.1147","0.0012","16.7364","0.0009","8.4586","0.0005","90","","116.194","0.002","90","","2047","0.2","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H20 Gd2 O13 -","- C12 H20 Gd2 O13 -","- C48 H80 Gd8 O52 -","4","1","","Fu-Sheng Guo; Ji-Dong Leng; Jun-Liang Liu; Zhao-Sha Meng; Ming-Liang Tong","Polynuclear and Polymeric Gadolinium Acetate Derivatives with Large Magnetocaloric Effect","Inorganic Chemistry","2012","51","","405","413","10.1021/ic2018314","","","0.71073","MoKα","","0.0698","0.0424","","","0.0868","0.1179","","","","","","1.144","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327823","25.1498","0.0005","8.3542","0.0002","17.5653","0.0012","90","","128.178","0.009","90","","2901.1","0.4","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H26 N2 O3 P Re -","- C36 H26 N2 O3 P Re -","- C144 H104 N8 O12 P4 Re4 -","4","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0241","0.023","","","0.0543","0.0559","","","","","","1.071","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327870","11.5233","0.0004","22.6418","0.0009","17.2846","0.0007","90","","91.865","0.001","90","","4507.3","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","tetrakis(μ~2~-trifluoroacetato-O,O')-di-bismuth(II,II) diphenyl ether","","- C28 H10 Bi4 F24 O17 -","- C28 H10 Bi4 F24 O17 -","- C112 H40 Bi16 F96 O68 -","4","1","","Alexander S. Filatov; Margaret Napier; Volodimir D. Vreshch; Natalie J. Sumner; Evgeny V. Dikarev; Marina A. Petrukhina","From Solid State to Solution: Advancing Chemistry of Bi-Bi and Bi-Rh Paddlewheel Carboxylates","Inorganic Chemistry","2012","51","","566","571","10.1021/ic202089p","","","0.71073","Mo-Kα","","0.0276","0.0243","","","0.0489","0.0502","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327959","11.4061","0.0008","35.0837","0.0009","10.2841","0.0004","90","","122.677","0.004","90","","3464","0.3","120","2","120","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C36 H52 O3 S Si -","- C36 H52 O3 S Si -","- C144 H208 O12 S4 Si4 -","4","1","","Anna Dołęga; Wojciech Marynowski; Katarzyna Baranowska; Maciej Śmiechowski; Janusz Stangret","Intramolecular Interactions in Crystals of Tris(2,6-diisopropylphenoxy)silanethiol and Its Sodium Salts","Inorganic Chemistry","2012","51","","836","843","10.1021/ic2013073","","x-ray","0.71073","MoKα","","0.0323","0.0316","","","0.0778","0.0783","","","","","","1.057","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4328237","13.372","0.001","23.313","0.004","12.053","0.002","90","","117.448","0.003","90","","3334.4","0.8","173","2","173","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H36 N2 O6 Ti -","- C38 H36 N2 O6 Ti -","- C152 H144 N8 O24 Ti4 -","4","1","","Avia Tzubery; Edit Y. Tshuva","Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies","Inorganic Chemistry","2012","51","","1796","1804","10.1021/ic202092u","","","0.71073","MoKα","","0.0778","0.0625","","","0.1135","0.1201","","","","","","1.046","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328407","7.0757","0.0004","12.3468","0.0006","4.6819","0.0002","90","","120.93","0.001","90","","350.86","0.03","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H O3 P Sn -","- H O3 P Sn -","- H4 O12 P4 Sn4 -","4","1","","Hui-Lin Huang; Yei-Chen Lai; Yun-Wei Chiang; Sue-Lein Wang","Intrinsic Optical Properties and Divergent Doping Effects of Manganese(II) on Luminescence for Tin(II) Phosphite Grown from a Deep-Eutectic Solvent","Inorganic Chemistry","2012","51","","1986","1988","10.1021/ic202419q","","","0.71073","MoKα","","0.0203","0.0202","","","0.0564","0.0565","","","","","","1.127","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328408","7.0555","0.0007","12.242","0.0011","4.6683","0.0004","90","","121.487","0.002","90","","343.85","0.06","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H Mn0.03 O3 P Sn0.97 -","- H Mn0.031 O3 P Sn0.969 -","- H4 Mn0.124 O12 P4 Sn3.876 -","4","1","","Hui-Lin Huang; Yei-Chen Lai; Yun-Wei Chiang; Sue-Lein Wang","Intrinsic Optical Properties and Divergent Doping Effects of Manganese(II) on Luminescence for Tin(II) Phosphite Grown from a Deep-Eutectic Solvent","Inorganic Chemistry","2012","51","","1986","1988","10.1021/ic202419q","","","0.71073","MoKα","","0.0102","0.0102","","","0.0264","0.0264","","","","","","1.117","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328726","16.394","0.003","9.4038","0.0019","17.023","0.003","90","","118.37","0.03","90","","2309.2","1","203","2","203","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H31 Co N2 P4 -","- C19 H31 Co N2 P4 -","- C76 H124 Co4 N8 P16 -","4","1","","Simon Dürr; Daniel Ertler; Udo Radius","Symmetrical P4 Cleavage at Cobalt: Characterization of Intermediates on the Way from P4 to Coordinated P2 Units","Inorganic Chemistry","2012","51","","3904","3909","10.1021/ic300219w","","","0.71073","MoKα","","0.0281","0.0255","","","0.0664","0.0705","","","","","","1.08","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328825","22.4518","0.0004","14.2483","0.0004","8.6925","0.0002","90","","106.161","0.001","90","","2670.85","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H26 Cu2 F2 N10 O13 -","- C16 H26 Cu2 F2 N10 O13 -","- C64 H104 Cu8 F8 N40 O52 -","4","1","","Nadia Marino; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve","Synthesis, Structure, and Magnetic Properties of Regular Alternating μ-bpm/di-μ-X Copper(II) Chains (bpm = 2,2'-bipyrimidine; X = OH, F)","Inorganic Chemistry","2012","51","","4323","4334","10.1021/ic202740b","","","0.71073","MoKα","","0.0283","0.0251","","","0.06","0.0612","","","","","","0.996","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4329002","18.784","0.0007","19.797","0.0008","36.8698","0.0014","90","","99.272","0.001","90","","13531.5","0.9","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Na11 O118 Pd30 Se20 -","- Na11 O118 Pd30 Se20 -","- Na44 O472 Pd120 Se80 -","4","1","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0698","0.0504","","","0.114","0.124","","","","","","1.049","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329207","8.379","0.005","20.82","0.013","6.436","0.004","90","","114.962","0.006","90","","1017.9","1.1","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H6 Au Cl3 N2 -","- C7 H6 Au Cl3 N2 -","- C28 H24 Au4 Cl12 N8 -","4","1","","Atiya T. Overton; Ahmed A. Mohamed","Gold(III) Diazonium Complexes for Electrochemical Reductive Grafting","Inorganic Chemistry","2012","51","","5500","5502","10.1021/ic300307z","","","0.71073","MoKα","","0.0242","0.0213","","","0.0489","0.081","","","","","","1.091","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329223","12.0741","0.0011","7.0221","0.0005","12.0802","0.0009","90","","110.06","0.005","90","","962.09","0.14","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- In2 Li2 S6 Si -","- In2 Li2 S6 Si -","- In8 Li8 S24 Si4 -","4","1","","Wenlong Yin; Kai Feng; Wenyu Hao; Jiyong Yao; Yicheng Wu","Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials","Inorganic Chemistry","2012","51","","5839","5843","10.1021/ic300373z","","","0.71073","MoKα","","0.01","0.0098","","","0.023","0.0231","","","","","","0.99","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329224","12.165","0.002","7.084","0.0014","12.131","0.002","90","","110.26","0.03","90","","980.7","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge In2 Li2 S6 -","- Ge In2 Li2 S6 -","- Ge4 In8 Li8 S24 -","4","1","","Wenlong Yin; Kai Feng; Wenyu Hao; Jiyong Yao; Yicheng Wu","Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials","Inorganic Chemistry","2012","51","","5839","5843","10.1021/ic300373z","","","0.71073","MoKα","","0.0239","0.0215","","","0.0489","0.0501","","","","","","0.597","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329225","12.621","0.0004","7.3788","0.0003","12.58","0.0004","90","","109.704","0.002","90","","1102.95","0.07","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- In2 Li2 Se6 Si -","- In2 Li2 Se6 Si -","- In8 Li8 Se24 Si4 -","4","1","","Wenlong Yin; Kai Feng; Wenyu Hao; Jiyong Yao; Yicheng Wu","Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials","Inorganic Chemistry","2012","51","","5839","5843","10.1021/ic300373z","","","0.71073","MoKα","","0.0226","0.0221","","","0.0531","0.0534","","","","","","0.787","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329226","12.7226","0.0004","7.4527","0.0004","12.6698","0.0005","90","","109.826","0.004","90","","1130.12","0.09","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge In2 Li2 Se6 -","- Ge In2 Li2 Se6 -","- Ge4 In8 Li8 Se24 -","4","1","","Wenlong Yin; Kai Feng; Wenyu Hao; Jiyong Yao; Yicheng Wu","Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials","Inorganic Chemistry","2012","51","","5839","5843","10.1021/ic300373z","","","0.71073","MoKα","","0.0375","0.0338","","","0.0773","0.0791","","","","","","1.094","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329346","6.6474","0.0009","19.167","0.002","15.366","0.003","90","","98.544","0.012","90","","1936.1","0.5","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H16 N6 O4 Zn -","- C20 H16 N6 O4 Zn -","- C80 H64 N24 O16 Zn4 -","4","1","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0293","0.028","","","0.071","0.0718","","","","","","1.07","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329612","11.4479","0.0012","14.6692","0.0015","15.4302","0.0015","90","","93.787","0.002","90","","2585.6","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H40 Cl2 N P2 Rh -","- C21 H40 Cl2 N P2 Rh -","- C84 H160 Cl8 N4 P8 Rh4 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Oxygen Reduction Reactions of Monometallic Rhodium Hydride Complexes","Inorganic Chemistry","2012","51","","7192","7201","10.1021/ic300279z","","","0.71073","MoKα","","0.0229","0.0205","","","0.0452","0.0465","","","","","","1.042","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329705","19.8704","0.0013","16.1637","0.0011","23.2378","0.0016","90","","97.7","0.001","90","","7396.2","0.9","170","2","170","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H35 Au Br2 N3 O2 P -","- C42 H35 Au Br2 N3 O2 P -","- C336 H280 Au8 Br16 N24 O16 P8 -","8","2","","Lei Gao; Nihal Deligonul; Thomas G. Gray","Gold(I) Complexes of Brominated Azadipyrromethene Ligands","Inorganic Chemistry","2012","51","","7682","7688","10.1021/ic300709n","","","0.71073","MoKα","","0.0411","0.0312","","","0.0553","0.0578","","","","","","0.923","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329857","5.9669","0.0007","26.571","0.004","7.2019","0.0009","90","","112.471","0.007","90","","1055.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H16 B N S -","- C9 H16 B N S -","- C36 H64 B4 N4 S4 -","4","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0272","0.0263","","","0.0698","0.0706","","","","","","1.054","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329964","23.2626","0.0013","14.4338","0.0007","14.3613","0.0008","90","","92.825","0.005","90","","4816.2","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H16 Cl4 N2 Si -","- C6 H16 Cl4 N2 Si -","- C96 H256 Cl64 N32 Si16 -","16","4","","Jan Tillmann; Frank Meyer-Wegner; Andor Nadj; Johanna Becker-Baldus; Tanja Sinke; Michael Bolte; Max C. Holthausen; Matthias Wagner; Hans-Wolfram Lerner","Unexpected Disproportionation of Tetramethylethylenediamine-Supported Perchlorodisilane Cl3SiSiCl3","Inorganic Chemistry","2012","51","","8599","8606","10.1021/ic301283m","","","0.71073","MoKα","","0.0964","0.0918","","","0.2194","0.221","","","","","","1.988","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4330167","17.0615","0.0005","19.2094","0.0004","26.4506","0.0008","90","","107.69","0.0011","90","","8259","0.4","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C46 H50 O3.5 P3 -","- C46 H50 O3.5 P3 -","- C368 H400 O28 P24 -","8","2","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.0922","0.0634","","","0.1514","0.1747","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330331","11.6913","0.0012","14.5413","0.0013","19.066","0.002","90","","100.655","0.009","90","","3185.5","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H26 Cl2 Cu2 N8 -","- C36 H26 Cl2 Cu2 N8 -","- C144 H104 Cl8 Cu8 N32 -","4","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1473","0.0901","","","0.2341","0.2682","","","","","","1.062","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330343","17.362","0.004","17.138","0.003","9.993","0.002","90","","116.91","0.03","90","","2651.5","1.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- Bi2 Cl Cs3 K Mn4 O24 P6 -","- Bi2 Cl Cs3 K Mn4 O24 P6 -","- Bi8 Cl4 Cs12 K4 Mn16 O96 P24 -","4","1","","J. Palmer West; Dino Sulejmanovic; Shiou-Jyh Hwu; Jian He; Don VanDerveer; B. Keith Johnson","Synthesis and Structure of Bismuth(III)-Containing Noncentrosymmetric Phosphates, Cs3KBi2M4(PO4)6Cl (M = Mn, Fe). Monoclinic (Cc) and Tetragonal (P43) Polymorphs Templated by Chlorine-Centered Cl(Bi2Cs) Acentric Units","Inorganic Chemistry","2012","51","","9723","9729","10.1021/ic3010129","","","0.71073","MoKα","","0.0585","0.0511","","","0.124","0.1313","","","","","","1.063","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330345","17.167","0.003","17.089","0.003","9.928","0.002","90","","116.66","0.03","90","","2602.9","1.1","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- Bi2 Cl Cs3 Fe4 K O24 P6 -","- Bi2 Cl Cs3 Fe4 K O24 P6 -","- Bi8 Cl4 Cs12 Fe16 K4 O96 P24 -","4","1","","J. Palmer West; Dino Sulejmanovic; Shiou-Jyh Hwu; Jian He; Don VanDerveer; B. Keith Johnson","Synthesis and Structure of Bismuth(III)-Containing Noncentrosymmetric Phosphates, Cs3KBi2M4(PO4)6Cl (M = Mn, Fe). Monoclinic (Cc) and Tetragonal (P43) Polymorphs Templated by Chlorine-Centered Cl(Bi2Cs) Acentric Units","Inorganic Chemistry","2012","51","","9723","9729","10.1021/ic3010129","","","0.71073","MoKα","","0.0501","0.0482","","","0.1171","0.1192","","","","","","1.099","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330349","10.1804","0.0006","27.0385","0.0018","18.0234","0.0011","90","","93.132","0.003","90","","4953.8","0.5","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","[(HPNPRuCl)2(PhNNH)](BF4)2 (4)","","","- C38 H80 B2 Cl2 F8 N4 P4 Ru2 -","- C38 H80 B2 Cl2 F8 N4 P4 Ru2 -","- C152 H320 B8 Cl8 F32 N16 P16 Ru8 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.031","0.0285","","","0.0691","0.0706","","","","","","1.054","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330397","31.098","0.003","10.1937","0.0008","11.9756","0.0009","90","","107.044","0.002","90","","3629.6","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H56 Mo N2 O6 -","- C36 H56 Mo N2 O6 -","- C144 H224 Mo4 N8 O24 -","4","1","","Martina E. Judmaier; Christof Holzer; Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo Complexes Employing Schiff Base Ligands with an Intramolecular Donor for Highly Selective Olefin Epoxidation","Inorganic Chemistry","2012","51","","9956","9966","10.1021/ic301464w","","","0.71073","MoKα","","0.0225","0.0221","","","0.0576","0.0579","","","","","","1.034","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330443","26.479","0.003","45.599","0.006","20.072","0.003","90","","129.425","0.002","90","","18721","4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C96 H108 Mn8 O20 -","- C96 H108 Mn8 O20 -","- C768 H864 Mn64 O160 -","8","2","","Sandeep K. Kondaveeti; Shivaiah Vaddypally; Carol Lam; Daigorou Hirai; Ni Ni; Robert J. Cava; Michael J. Zdilla","Synthesis, Structure, and Magnetic Studies of Manganese-Oxygen Clusters of Reduced Coordination Number, Featuring an Unchelated, 5-Coordinate Octanuclear Manganese Cluster with Water-Derived Oxo Ligands","Inorganic Chemistry","2012","51","","10095","10104","10.1021/ic202448c","","","0.71073","MoKα","","0.0914","0.0529","","","0.117","0.1373","","","","","","1.018","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330636","13.3847","0.0006","23.6077","0.001","6.9904","0.0003","90","","120.469","0.002","90","","1903.81","0.15","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H14 Cl N5 Pt -","- C22 H14 Cl N5 Pt -","- C88 H56 Cl4 N20 Pt4 -","4","1","","Jamal Lasri; Maxim L. Kuznetsov; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro","PtII-Mediated Imine-Nitrile Coupling Leading to Symmetrical (1,3,5,7,9-Pentaazanona-1,3,6,8-tetraenato)Pt(II) Complexes Containing the Incorporated 1,3-Diiminoisoindoline Moiety","Inorganic Chemistry","2012","51","","10774","10786","10.1021/ic301176b","","","0.71073","MoKα","","0.04","0.0305","","","0.0548","0.0581","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331011","10.8488","0.001","21.8798","0.0012","24.157","0.003","90","","94.864","0.008","90","","5713.5","0.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C58 H51 Cu F6 N11 O8 S2 -","- C58 H51 Cu F6 N11 O8 S2 -","- C232 H204 Cu4 F24 N44 O32 S8 -","4","1","","Aline Arnold; Christian Limberg; Ramona Metzinger","Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity","Inorganic Chemistry","2012","51","","12210","12217","10.1021/ic301391s","","","0.71073","MoKα","","0.0376","0.0349","","","0.0823","0.0834","","","","","","1.007","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331209","12.2118","0.0012","9.7445","0.001","14.4119","0.0015","90","","93.958","0.002","90","","1710.9","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H28 B11 N -","- C9 H28 B11 N -","- C36 H112 B44 N4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.0718","0.0652","","","0.193","0.2031","","","","","","1.109","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331218","16.715","0.001","16.0143","0.0009","8.6111","0.0005","90","","115.99","0.001","90","","2071.9","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H26 B11 Cl2 N -","- C12 H26 B11 Cl2 N -","- C48 H104 B44 Cl8 N4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.0719","0.0542","","","0.1484","0.1621","","","","","","1.079","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331361","28.303","0.016","25.16","0.014","15.445","0.009","90","","120.72","0.006","90","","9455","9","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C88 H136 K2 O10 -","- C88 H136 K2 O10 -","- C352 H544 K8 O40 -","4","1","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.2412","0.0786","","","0.1687","0.248","","","","","","0.965","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331365","35.298","0.009","14.342","0.004","19.574","0.005","90","","106.594","0.002","90","","9497","4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C88 H132 K3 O10 -","- C88 H132 K3 O10 -","- C352 H528 K12 O40 -","4","1","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.2214","0.0826","","","0.1839","0.2548","","","","","","0.947","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331438","5.522","","8.646","","9.549","","90","","98.01","","90","","451.452","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(Cl O2) (B F4)","","- B Cl F4 O2 -","- B Cl F4 O2 -","- B4 Cl4 F16 O8 -","4","1","","Bartlett, N.; Mallouk, T.E.; Mueller, G.; Rosenthal, G.L.; Brusasco, R.","Fluoride ion affinities of Ge F4 and B F3 from thermodynamic and structural data for (S F3)2 Ge F6, Cl O2 Ge F5, and Cl O2 B F4","Inorganic Chemistry","1984","23","","3167","3173","10.1021/ic00188a028","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331533","35.253","0.017","21.825","0.011","22.101","0.011","90","","120.168","0.011","90","","14701","13","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C168 H240 Mn24 N12 O97 P14 -","- C168 H240 Mn24 N12 O97 P14 -","- C336 H480 Mn48 N24 O194 P28 -","2","0.5","","Yao, Hong-Chang; Li, Yi-Zhi; Song, You; Ma, Yun-Sheng; Zheng, Li-Min; Xin, Xin-Quan","Dodecanuclear Manganese(III) Phosphonates with Cage Structures","Inorganic Chemistry","2006","45","1","59","65","10.1021/ic050775e","","","0.71073","MoKα","","0.0871","0.0657","","","0.1244","0.1294","","","","","","1.065","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331576","25.2789","0.0016","30.237","0.0016","19.792","0.0012","90","","128.401","0.001","90","","11855.7","1.2","","","143","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C121.5 H99 Ag2 F12 O12.5 S12 Sb2 -","- C121.5 H95 Ag2 F12 O12.5 S12 Sb2 -","- C486 H380 Ag8 F48 O50 S48 Sb8 -","4","1","","Li, Kunhao; Xu, Zhengtao; Xu, Hanhui; Carroll, Patrick J.; Fettinger, James C.","Three-Dimensional Nets from Star-Shaped Hexakis(arylthio)triphenylene Molecules and Silver(I) Salts","Inorganic Chemistry","2006","45","3","1032","1037","10.1021/ic051135e","","","0.71069","MoKα","","0.0682","0.0605","","","0.1876","0.2252","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331668","12.526","0.002","7.0939","0.0009","27.823","0.004","90","","101.975","0.004","90","","2418.5","0.6","293","0.2","293","0.2","","","","","","","","3","C 1 c 1","C -2yc","9","","Lanthanum iodate","","- I9 La3 O27 -","- I9 La3 O27 -","- I36 La12 O108 -","4","1","","Ok, Kang Min; Halasyamani, P. Shiv","New Metal Iodates: Syntheses, Structures, and Characterizations of Noncentrosymmetric La(IO3)3and NaYI4O12and Centrosymmetric β-Cs2I4O11and Rb2I6O15(OH)2·H2O","Inorganic Chemistry","2005","44","25","9353","9359","10.1021/ic051340u","","","0.71073","MoKα","","0.0335","0.0333","","","0.0861","0.0867","","","","","","1.137","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331669","31.235","0.003","5.5679","0.0005","12.5451","0.0012","90","","91.12","0.003","90","","2181.3","0.4","293","0.2","293","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","Sodium yttrium iodate","","- I8 Na2 O24 Y2 -","- I8 Na2 O24 Y2 -","- I32 Na8 O96 Y8 -","4","1","","Ok, Kang Min; Halasyamani, P. Shiv","New Metal Iodates: Syntheses, Structures, and Characterizations of Noncentrosymmetric La(IO3)3and NaYI4O12and Centrosymmetric β-Cs2I4O11and Rb2I6O15(OH)2·H2O","Inorganic Chemistry","2005","44","25","9353","9359","10.1021/ic051340u","","","0.71073","MoKα","","0.0536","0.0527","","","0.1424","0.1442","","","","","","1.014","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331692","9.2812","0.0016","20.546","0.003","23.425","0.004","90","","90.608","0.003","90","","4466.7","1.3","453","2","453","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C54 H41 B Cu F4 N3 O P2 -","- C54 H41 B Cu F4 N3 O P2 -","- C216 H164 B4 Cu4 F16 N12 O4 P8 -","4","1","","McCormick, Theresa; Jia, Wen-Li; Wang, Suning","Phosphorescent Cu(I) Complexes of 2-(2‘-pyridylbenzimidazolyl)benzene: Impact of Phosphine Ancillary Ligands on Electronic and Photophysical Properties of the Cu(I) Complexes","Inorganic Chemistry","2006","45","1","147","155","10.1021/ic051412h","","","0.71073","MoKα","","0.0394","0.0356","","","0.077","0.078","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331702","10.2812","0.0014","22.888","0.003","16.865","0.002","90","","99.463","0.003","90","","3914.6","0.9","132","2","132","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H44 Cl4 Fe N4 -","- C39 H44 Cl4 Fe N4 -","- C156 H176 Cl16 Fe4 N16 -","4","1","","Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng","Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides","Inorganic Chemistry","2013","52","","59","65","10.1021/ic301894e","","","0.71073","MoKα","","0.0615","0.0434","","","0.0903","0.098","","","","","","0.999","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331803","22.605","0.005","13.272","0.005","12.436","0.005","90","","91.346","0.005","90","","3730","2","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H36 Cl10 Ga2 N4 O4 -","- C24 H36 Cl10 Ga2 N4 O4 -","- C96 H144 Cl40 Ga8 N16 O16 -","4","1","","Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon","Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands","Inorganic Chemistry","2013","52","","506","514","10.1021/ic302440g","","x-ray","0.71069","MoKα","","0.0411","0.0287","","","0.0514","0.0551","","","","","","0.995","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331820","13.6994","0.001","23.8843","0.0017","15.1402","0.0011","90","","103.591","0.001","90","","4815.2","0.6","86","2","86","2","","","","","","","","7","C 1 c 1","C -2yc","9","C42 H30 Co F12 N12, 2(Cl O4)","","","- C42 H30 Cl2 Co F12 N12 O8 -","- C42 H30 Cl2 Co F12 N12 O8 -","- C168 H120 Cl8 Co4 F48 N48 O32 -","4","1","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Coordination Networks with Fluorinated Backbones","Inorganic Chemistry","2006","45","3","1150","1155","10.1021/ic051608h","","","0.71073","MoKα","","0.0622","0.0504","","","0.1065","0.1114","","","","","","1.031","","","","has coordinates,has disorder","179421","2020-10-21","18:00:00",""
"4331826","23.945","0.004","7.4886","0.0011","24.771","0.004","90","","111.612","0.003","90","","4129.5","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H44 Ag2 Cl2 N12 O8 -","- C34 H44 Ag2 Cl2 N12 O8 -","- C136 H176 Ag8 Cl8 N48 O32 -","4","1","","del Carmen Fernández-Fernández, María; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Valencia, Laura","Different Nuclearity Silver(I) Complexes with Novel Tetracyano Pendant-Armed Hexaazamacrocyclic Ligands","Inorganic Chemistry","2006","45","5","2266","2275","10.1021/ic051627r","","","0.71073","MoKα","","0.1422","0.0485","","","0.0796","0.098","","","","","","0.771","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331827","18.1456","0.0016","10.2963","0.0009","19.6626","0.0017","90","","111.432","0.002","90","","3419.6","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H37 Ag Cl N11 O4 -","- C30 H37 Ag Cl N11 O4 -","- C120 H148 Ag4 Cl4 N44 O16 -","4","1","","del Carmen Fernández-Fernández, María; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Valencia, Laura","Different Nuclearity Silver(I) Complexes with Novel Tetracyano Pendant-Armed Hexaazamacrocyclic Ligands","Inorganic Chemistry","2006","45","5","2266","2275","10.1021/ic051627r","","","0.71073","MoKα","","0.0519","0.0357","","","0.0638","0.0676","","","","","","0.857","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331846","12.922","0.004","23.713","0.007","21.776","0.006","90","","90.705","0.005","90","","6672","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C66 H62 Fe I N18 O7 Ru2 -","- C66 H62 Fe I N18 O7 Ru2 -","- C264 H248 Fe4 I4 N72 O28 Ru8 -","4","1","","Dong, Wen; Ou-Yang, Yan; Song, Hai-Bin; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Cheng, Peng","Structure of an I-·(H2O)6Anion Cluster in a 3D Anion Crystal Host [I·(H2O)6Fe(CN)6·H2O]4-","Inorganic Chemistry","2006","45","3","1168","1172","10.1021/ic051657u","","","0.71073","MoKα","","0.0686","0.0411","","","0.0686","0.0768","","","","","","1.015","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4332143","12.336","0.003","18.35","0.004","13.887","0.003","90","","108.01","0.03","90","","2989.5","1.3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H16 B2 F8 N4 O6 Ru2 -","- C28 H16 B2 F8 N4 O6 Ru2 -","- C112 H64 B8 F32 N16 O24 Ru8 -","4","1","","Patra, Sanjib K.; Sadhukhan, Nabanita; Bera, Jitendra K.","Effects of Axial Coordination on the Ru−Ru Single Bond in Diruthenium Paddlewheel Complexes","Inorganic Chemistry","2006","45","10","4007","4015","10.1021/ic0600073","","","0.71073","MoKα","","0.0574","0.0534","","","0.1128","0.115","","","","","","1.095","","","","has coordinates,has disorder","179424","2020-10-21","18:00:00",""
"4332240","15.7878","0.0014","39.138","0.004","21.1625","0.0017","90","","111.148","0.002","90","","12195.7","1.9","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C131 H127 Ag3 B3 F12 O5 P6 -","- C131 H127 Ag3 B3 F12 O5 P6 -","- C524 H508 Ag12 B12 F48 O20 P24 -","4","1","","Lin, Ronger; Yip, John H. K.","Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices","Inorganic Chemistry","2006","45","11","4423","4430","10.1021/ic060140v","","","0.71073","MoKα","","0.1134","0.066","","","0.1513","0.1727","","","","","","0.966","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332276","41.913","0.017","9.86","0.003","19.628","0.008","90","","102.913","0.0018","90","","7906","5","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","phosphine oxide","Diphenyl[2-(1-phenylhydrazo)phenyl]phosphine oxide","","- C24 H21 N2 O P -","- C24 H21 N2 O P -","- C384 H336 N32 O16 P16 -","16","4","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.0342","0.0311","","","0.0672","0.0699","","","","","","1.068","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332331","33.217","0.004","5.6416","0.0008","13.9824","0.0018","90","","99.407","0.008","90","","2585","0.6","223","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H16 Mo5 N4 Ni2 O25 -","- C10 H16 Mo5 N4 Ni2 O25 -","- C40 H64 Mo20 N16 Ni8 O100 -","4","1","","Yan, Bangbo; Maggard, Paul A.","Polar Symmetry and Intercalation of New Multilayered Hybrid Molybdates: [M2(pzc)2(H2O)x][Mo5O16] (M = Co, Ni)","Inorganic Chemistry","2006","45","12","4721","4727","10.1021/ic060253e","","","0.71073","MoKα","","0.0399","0.0304","","","0.0652","0.0681","","","","","","0.997","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332428","25.4856","0.0008","14.2965","0.0004","17.7647","0.001","90","","129.564","0.001","90","","4989.9","0.4","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H42 Hg N4 Na2 O5 S13 -","- C38 H30 Hg N4 Na2 O5 S13 -","- C152 H120 Hg4 N16 Na8 O20 S52 -","4","1","","Baudron, Stéphane A.; Hosseini, Mir Wais","Sequential Generation of One-Dimensional Networks Based on a Differentiated Bischelate-Type Ligand Bearing Both 4,5-Diazafluorene and Dithiolene Units","Inorganic Chemistry","2006","45","14","5260","5262","10.1021/ic0603510","","","0.71073","MoKα","","0.048","0.0321","","","0.0697","0.0987","","","","","","0.997","","","","has coordinates,has disorder","179427","2020-10-21","18:00:00",""
"4332504","13.478","0.001","18.104","0.001","15.015","0.01","90","","108.495","0.001","90","","3475","2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","catena-[(μ-diiodo(acetonitrile)dicopper(I))(μ-1,3- di-tert-butyl-2,4-bis(2-methoxyphenoxy)-[1,3,2,4]- diazadiphosphetidine)]","","- C26 H38 Cu2 I2 N4 O4 P2 -","- C26 H38 Cu2 I2 N4 O4 P2 -","- C104 H152 Cu8 I8 N16 O16 P8 -","4","1","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","Copper(I) Coordination Polymers [{Cu(μ-X)}2{RP(μ-NtBu)}2]n(R = OC6H4OMe-o; X = Cl, Br, and I) and Their Reversible Conversion into Mononuclear Complexes [CuX{(RP(μ-NtBu))2}2]: Synthesis and Structural Characterization","Inorganic Chemistry","2006","45","17","6678","6683","10.1021/ic060464j","","","0.71073","MoKα","","0.0321","0.0311","","","0.0745","0.0752","","","","","","1.037","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332522","22.535","0.002","19.1567","0.0018","18.9544","0.0018","90","","114.063","0.002","90","","7471.5","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C72 H114 Li6 O9 -","- C72 H114 Li6 O9 -","- C288 H456 Li24 O36 -","4","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.2075","0.06","","","0.137","0.2011","","","","","","0.765","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332666","29.053","0.003","8.4182","0.0007","22.86","0.003","90","","126.62","0.003","90","","4487.4","0.9","173.2","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C50 H50 B F4 Mn N2 O3 -","- C50 H50 B F4 Mn N2 O3 -","- C200 H200 B4 F16 Mn4 N8 O12 -","4","1","","Kurahashi, Takuya; Oda, Kenji; Sugimoto, Manabu; Ogura, Takashi; Fujii, Hiroshi","Trigonal-Bipyramidal Geometry Induced by an External Water Ligand in a Sterically Hindered Iron Salen Complex, Related to the Active Site of Protocatechuate 3,4-Dioxygenase","Inorganic Chemistry","2006","45","19","7709","7721","10.1021/ic060650p","","","0.7107","MoKα","","","0.0606","","","","0.1598","","","","","","2.008","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332742","11.573","0.0004","26.037","0.0011","8.511","0.0003","90","","120.907","0.0019","90","","2200.42","0.15","90","0.2","90","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H32 B N O3 -","- C23 H32 B N O3 -","- C92 H128 B4 N4 O12 -","4","1","","Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.","Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate","Inorganic Chemistry","2006","45","23","9213","9224","10.1021/ic0607890","","","0.71073","MoKα","","0.098","0.0512","","","0.095","0.1108","","","","","","1.034","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332759","21.222","0.003","12.1398","0.0015","15.759","0.002","90","","117.311","0.002","90","","3607.4","0.8","100","2","100","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C40 H50 N6 Ti -","- C40 H50 N6 Ti -","- C160 H200 N24 Ti4 -","4","1","","Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV","Inorganic Chemistry","2006","45","19","7777","7787","10.1021/ic060809y","","","0.71073","MoKα","","0.06","0.0402","","0.1186","0.0938","0.1186","","","","","","0.9033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332835","28.5558","0.0015","9.5987","0.0007","16.906","0.0009","90","","107.974","0.003","90","","4407.8","0.5","103.1","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H56 Cu F12 N4 O7 P2 -","- C36 H48 Cu F12 N4 O7 P2 -","- C144 H192 Cu4 F48 N16 O28 P8 -","4","1","","Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers","Inorganic Chemistry","2006","45","23","9290","9300","10.1021/ic0609249","","","0.71069","MoKα","","","0.1137","","","","0.2281","","","","","","0.932","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332864","17.8934","0.0008","18.5392","0.0008","12.4552","0.0006","90","","120.122","0.001","90","","3573.8","0.3","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","Cu(dmp)2-CTHA-EtOH","","","- C39 H41 Cu N4 O7 -","- C39 H41 Cu N4 O7 -","- C156 H164 Cu4 N16 O28 -","4","1","","Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip","Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks","Inorganic Chemistry","2006","45","23","9281","9289","10.1021/ic0609709","","","0.71073","MoKα","","0.0654","0.0635","","","0.1604","0.1623","","","","","","1.042","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332939","23.187","0.008","8.135","0.002","18.158","0.007","90","","106.72","0.02","90","","3280.3","1.9","300","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H54 Cu2 N6 O17 P2 -","- C18 H44 Cu2 N6 O17 P2 -","- C72 H176 Cu8 N24 O68 P8 -","4","1","","Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong","Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding","Inorganic Chemistry","2006","45","19","7973","7980","10.1021/ic0611140","","","0.71073","MoKα","","0.0687","0.0627","","","0.1591","0.1654","","","","","","1.009","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333250","28.146","0.006","18.342","0.004","7.3994","0.0015","90","","104.32","0.03","90","","3701.3","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H40 N4 O6 -","- C44 H40 N4 O6 -","- C176 H160 N16 O24 -","4","1","","Jung, Hyo Sung; Ko, Kyoung Chul; Lee, Jae Hong; Kim, Sang Hoon; Bhuniya, Sankarprasad; Lee, Jin Yong; Kim, Youngmee; Kim, Sung Jin; Kim, Jong Seung","Rationally Designed Fluorescence Turn-On Sensors: A New Design Strategy Based on Orbital Control","Inorganic Chemistry","2010","49","18","8552","8557","10.1021/ic101165k","","","0.71073","MoKα","","0.1611","0.0587","","","0.1351","0.1964","","","","","","1.01","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333406","12.991","0.003","12.2","0.002","25.812","0.005","90","","101.63","0.03","90","","4007","1.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C36.5 H28 Cl Co Cr Mn N6 O14.5 -","- C36.5 H22 Cl Co Cr Mn N6 O14.5 -","- C146 H88 Cl4 Co4 Cr4 Mn4 N24 O58 -","4","1","","Kou, Hui-Zhong; Sato, Osamu","New Oxalate-Bridged CrIII−MnIIPolymeric Network Incorporating a Spin-Crossover [Co(terpy)2]2+Cation","Inorganic Chemistry","2007","46","23","9513","9515","10.1021/ic701043f","","","0.71073","MoKα","","0.1104","0.0695","","","0.1045","0.1131","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333638","12.4323","0.0005","17.3432","0.0007","15.4529","0.0006","90","","93.308","0.002","90","","3326.3","0.2","100","2","99.97","","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-bis(ammine)-(N,N'-ethylene-bis(acetylacetoniminato)) -cobalt(iii) tetraphenylborate","","- C36 H44 B Co N4 O2 -","- C36 H44 B Co N4 O2 -","- C144 H176 B4 Co4 N16 O8 -","4","1","","Lisa M. Manus; Robert J. Holbrook; Tulay A. Atesin; Marie C. Heffern; Allison S. Harney; Amanda L. Eckermann; Thomas J. Meade","Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics","Inorganic Chemistry","2013","52","","1069","1076","10.1021/ic302379j","","","0.71073","MoKα","","0.0636","0.0426","","","0.1107","0.125","","","","","","0.809","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333739","12.117","0.011","27.59","0.03","34.12","0.03","90","","100.23","0.02","90","","11225","19","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","LHL2788","","","- C114 H124 Cl4 N10 P8 Ru2 -","- C114 H115 Cl4 N10 P8 Ru2 -","- C456 H460 Cl16 N40 P32 Ru8 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.0354","0.0325","","","0.0779","0.0789","","","","","","1.041","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4334010","19.473","0.002","16.4227","0.0017","14.1119","0.0015","90","","117.169","0.002","90","","4015","0.7","90","","90","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H44 Ag F3 N4 O4 S -","- C44 H42 Ag F3 N4 O4 S -","- C176 H168 Ag4 F12 N16 O16 S4 -","4","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0856","0.0737","","","0.196","0.2104","","","","","","1.043","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334389","5.5407","0.0004","6.6746","0.0004","15.4756","0.0012","90","","90.003","0.005","90","","572.32","0.07","173","0.2","173","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi H O6 Se2 -","- Bi H O6 Se2 -","- Bi4 H4 O24 Se8 -","4","1","","Eun Pyo Lee; Seung Yoon Song; Dong Woo Lee; Kang Min Ok","New Bismuth Selenium Oxides: Syntheses, Structures, and Characterizations of Centrosymmetric Bi2(SeO3)2(SeO4) and Bi2(TeO3)2(SeO4) and Noncentrosymmetric Bi(SeO3)(HSeO3)","Inorganic Chemistry","2013","52","","4097","4103","10.1021/ic4002384","","","0.71073","MoKα","","0.0555","0.0485","","","0.1206","0.1512","","","","","","1.127","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334493","18.3263","0.0007","8.5294","0.0002","26.4162","0.0013","90","","109.141","0.005","90","","3900.9","0.3","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H51 Cl2 N3 O3 P2 Ru -","- C39 H51 Cl2 N3 O3 P2 Ru -","- C156 H204 Cl8 N12 O12 P8 Ru4 -","4","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.7107","MoKα","","0.0305","0.0283","","","0.057","0.0585","","","","","","1.035","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334503","11.663","0.005","13.228","0.005","19.69","0.005","90","0.005","106.216","0.005","90","0.005","2916.9","1.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H37 Cl Co2 N2 O15 -","- C24 H37 Cl Co2 N2 O15 -","- C96 H148 Cl4 Co8 N8 O60 -","4","1","","Vadapalli Chandrasekhar; Atanu Dey; Antonio J. Mota; Enrique Colacio","Slow Magnetic Relaxation in Co(III)-Co(II) Mixed-Valence Dinuclear Complexes with a CoIIO5X (X = Cl, Br, NO3) Distorted-Octahedral Coordination Sphere","Inorganic Chemistry","2013","52","","4554","4561","10.1021/ic400073y","","","0.71069","MoKα","","0.068","0.0634","","","0.1672","0.1721","","","","","","1.054","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334504","11.67","0.002","13.369","0.002","19.766","0.003","90","","106.395","0.004","90","","2958.4","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H36 Br Co2 N2 O15 -","- C24 H36 Br Co2 N2 O15 -","- C96 H144 Br4 Co8 N8 O60 -","4","1","","Vadapalli Chandrasekhar; Atanu Dey; Antonio J. Mota; Enrique Colacio","Slow Magnetic Relaxation in Co(III)-Co(II) Mixed-Valence Dinuclear Complexes with a CoIIO5X (X = Cl, Br, NO3) Distorted-Octahedral Coordination Sphere","Inorganic Chemistry","2013","52","","4554","4561","10.1021/ic400073y","","","0.71073","MoKα","","0.0368","0.0337","","","0.074","0.0757","","","","","","1.012","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334505","12.513","0.002","13.02","0.002","19.069","0.003","90","","105.583","0.003","90","","2992.5","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 Co2 N3 O17 -","- C24 H32 Co2 N3 O17 -","- C96 H128 Co8 N12 O68 -","4","1","","Vadapalli Chandrasekhar; Atanu Dey; Antonio J. Mota; Enrique Colacio","Slow Magnetic Relaxation in Co(III)-Co(II) Mixed-Valence Dinuclear Complexes with a CoIIO5X (X = Cl, Br, NO3) Distorted-Octahedral Coordination Sphere","Inorganic Chemistry","2013","52","","4554","4561","10.1021/ic400073y","","","0.71073","MoKα","","0.0575","0.0499","","","0.1191","0.1268","","","","","","1.051","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334536","23.5965","0.0019","7.0484","0.0006","32.482","0.003","90","","105.758","0.002","90","","5199.3","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C1.26 Cr0.84 N0.42 O4.42 U0.42 -","- C1.26316 Cr0.842105 N0.421053 O4.42105 U0.421053 -","- C48 Cr32 N16 O168 U16 -","38","9.5","","Oleg I. Siidra; Evgeny V. Nazarchuk; Anna N. Suknotova; Roman A. Kayukov; Sergey V. Krivovichev","Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-, One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates","Inorganic Chemistry","2013","52","","4729","4735","10.1021/ic400341q","","","0.71073","MoKα","","0.0551","0.0404","","","0.0769","0.0816","","","","","","1.014","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334691","27.196","0.0011","17.12","0.0004","26.629","0.0009","90","","120.892","0.005","90","","10639.5","0.8","180","2","180","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C87 H134 Cl13 N7 Si2 Ti6 -","- C87 H134 Cl13 N7 Si2 Ti6 -","- C348 H536 Cl52 N28 Si8 Ti24 -","4","1","","Christian Lorber; Laure Vendier","Tight Encapsulation of a ""Naked"" Chloride in an Imidotitanium Hexanuclear Host","Inorganic Chemistry","2013","52","","4756","4758","10.1021/ic400211s","","x-ray","0.71073","MoKα","","0.0581","0.0415","","","0.0955","0.1071","","","","","","1.035","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334789","21.8972","0.001","15.3474","0.0003","15.1806","0.0007","90","","130.218","0.008","90","","3895.6","0.5","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 Cl2 N4 O8 -","- C17 H14 Cl2 N4 O8 -","- C136 H112 Cl16 N32 O64 -","8","2","","Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet","A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations","Inorganic Chemistry","2013","52","","5570","5580","10.1021/ic400526j","","","1.54184","CuKα","","0.0654","0.0637","","","0.1729","0.1761","","","","","","1.025","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334799","20.9482","0.0011","18.1986","0.0009","10.9919","0.0006","90","","106.125","0.001","90","","4025.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H50 Cl2 Fe O4 Sn -","- C38 H50 Cl2 Fe O4 Sn -","- C152 H200 Cl8 Fe4 O16 Sn4 -","4","1","","Ekaterina V. Ilyakina; Andrey I. Poddel'sky; Georgy K. Fukin; Artem S. Bogomyakov; Vladimir K. Cherkasov; Gleb A. Abakumov","Ferrocene-o-Benzosemiquinonato Tin(IV) Electron-Transfer Complexes","Inorganic Chemistry","2013","52","","5284","5289","10.1021/ic400713p","","","0.71073","MoKα","","0.0321","0.0273","","","0.0615","0.0629","","","","","","1.027","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334838","24.135","0.006","13.34","0.003","22.62","0.009","90","","112.186","0.003","90","","6744","4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H98 N15 O14 P -","- C48 H90 N15 O14 P -","- C192 H360 N60 O56 P4 -","4","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.1134","0.0772","","","0.1669","0.1846","","","","","","1.004","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334873","9.8666","0.0005","22.528","0.0016","21.175","0.0011","90","","92.678","0.006","90","","4701.5","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H48 B F6 Mo P4 -","- C52 H48 B F6 Mo P4 -","- C208 H192 B4 F24 Mo4 P16 -","4","1","","Gerald C. Stephan; Christian Näther; Gerhard Peters; Felix Tuczek","Molybdenum 17- and 18-Electron Bis- and Tris(Butadiene) Complexes: Electronic Structures, Spectroscopic Properties, and Oxidative Ligand Substitution Reactions","Inorganic Chemistry","2013","52","","5931","5942","10.1021/ic400145f","","","0.71073","MoKα","","0.0344","0.0324","","","0.0808","0.0817","","","","","","1.029","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334993","28.4518","0.0006","12.2466","0.0004","20.5026","0.0005","90","","126.463","0.0006","90","","5745.4","0.3","170","","170","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C61 H53 Cl4 N6 P2 Re -","- C61 H53 Cl4 N6 P2 Re -","- C244 H212 Cl16 N24 P8 Re4 -","4","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0609","","","","0.1731","","","","","","1.043","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4335037","22.635","0.005","15.677","0.003","11.689","0.003","90","","104.148","0.01","90","","4022","1.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H54 N11 O4 P -","- C39 H54 N11 O4 P -","- C156 H216 N44 O16 P4 -","4","1","","Debasish Jana; Ganesan Mani; Carola Schulzke","Synthesis of Novel Polyazacryptands for Recognition of Tetrahedral Oxoanions and Their X-ray Structures","Inorganic Chemistry","2013","52","","6427","6439","10.1021/ic400319b","","","0.71073","MoKα","","0.1555","0.0957","","","0.2184","0.2458","","","","","","0.957","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335456","11.596","0.005","15.549","0.006","15.368","0.007","90","","106.325","0.011","90","","2659","2","93","","93","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H30 F N2 P Se2 -","- C27 H30 F N2 P Se2 -","- C108 H120 F4 N8 P4 Se8 -","4","1","","Guoxiong Hua; Junyi Du; Alexandra M. Z. Slawin; J. Derek Woollins","Fluorinated Phosphorus-Selenium Heteroatom Compounds: Phenylphosphonofluorodiselenoic Salts, Adducts, and Esters","Inorganic Chemistry","2013","52","","8214","8217","10.1021/ic400612w","","","0.71075","MoKα","","","0.0563","","","","0.1024","","","","","","1.024","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335527","21.1368","0.0003","25.1483","0.0003","14.0307","0.0002","90","","121.866","0.001","90","","6334.04","0.16","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H69 Ag2 N11 O25 S4 -","- C52 H63 Ag2 N11 O25 S4 -","- C208 H252 Ag8 N44 O100 S16 -","4","1","","Seul-Gi Lee; Ki-Min Park; Yoichi Habata; Shim Sung Lee","Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations","Inorganic Chemistry","2013","52","","8416","8426","10.1021/ic400247q","","","0.71073","MoKα","","0.061","0.0548","","","0.1466","0.1537","","","","","","1.032","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335569","15.4386","0.0007","17.4169","0.0009","26.1882","0.0012","90","","103.809","0.002","90","","6838.3","0.6","293","2","265","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C75 H62.5 N4.5 O12 P2 Tb -","- C75 H58 N4.5 O12 P2 Tb -","- C300 H232 N18 O48 P8 Tb4 -","4","1","","S. Biju; N. Gopakumar; J.-C. G. Bünzli; R. Scopelliti; H. K. Kim; M. L. P. Reddy","Brilliant Photoluminescence and Triboluminescence from Ternary Complexes of DyIII and TbIII with 3-Phenyl-4-propanoyl-5-isoxazolonate and a Bidentate Phosphine Oxide Coligand","Inorganic Chemistry","2013","52","","8750","8758","10.1021/ic400913f","","","0.71073","MoKα","","0.0552","0.0428","","","0.0933","0.1153","","","","","","1.144","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335570","15.416","0.005","17.262","0.003","25.994","0.007","90","","102.353","0.017","90","","6757","3","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H64 Dy N5 O12 P2 -","- C76 H64 Dy N5 O12 P2 -","- C304 H256 Dy4 N20 O48 P8 -","4","1","","S. Biju; N. Gopakumar; J.-C. G. Bünzli; R. Scopelliti; H. K. Kim; M. L. P. Reddy","Brilliant Photoluminescence and Triboluminescence from Ternary Complexes of DyIII and TbIII with 3-Phenyl-4-propanoyl-5-isoxazolonate and a Bidentate Phosphine Oxide Coligand","Inorganic Chemistry","2013","52","","8750","8758","10.1021/ic400913f","","","0.71073","MoKα","","0.0979","0.0738","","","0.1715","0.1902","","","","","","1.067","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335674","69.954","0.003","6.4085","0.0003","10.4893","0.0005","90","","94.193","0.003","90","","4689.8","0.4","143","1","143","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H34 B10 Si -","- C16 H34 B10 Si -","- C128 H272 B80 Si8 -","8","2","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes","Inorganic Chemistry","2013","52","","9119","9130","10.1021/ic401356u","","","0.71073","MoKα","","0.1084","0.0554","","","0.0943","0.1134","","","","","","0.995","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335703","12.949","0.003","24.597","0.006","8.91","0.002","90","","96.489","0.004","90","","2819.7","1.1","300","2","300","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H28 F6 Fe N4 O8 S2 -","- C19 H28 F6 Fe N4 O8 S2 -","- C76 H112 F24 Fe4 N16 O32 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.058","0.0434","","","0.0998","0.1093","","","","","","0.995","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335784","12.674","0.003","24.218","0.005","16.214","0.003","90","","108.19","0.03","90","","4728","1.9","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C94 H79 Br8 Fe4 N9 P4 -","- C94 H79 Br8 Fe4 N9 P4 -","- C188 H158 Br16 Fe8 N18 P8 -","2","0.5","","Thomas Zell; Robert Langer; Mark A. Iron; Leonid Konstantinovski; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; Ekambaram Balaraman; Yehoshoa Ben-David; David Milstein","Synthesis, Structures, and Dearomatization by Deprotonation of Iron Complexes Featuring Bipyridine-based PNN Pincer Ligands","Inorganic Chemistry","2013","52","","9636","9649","10.1021/ic401432m","","","0.71073","MoKα","","0.0592","0.0536","","","0.1558","0.1587","","","","","","1.073","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335802","10.8694","0.0002","17.0146","0.0003","16.039","0.0003","90","","99.975","0.001","90","","2921.39","0.09","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Cu I N4 P -","- C29 H29 Cu I N4 P -","- C116 H116 Cu4 I4 N16 P4 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0227","0.0214","","","0.049","0.0496","","","","","","1.023","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335803","10.6955","0.0001","16.9158","0.0002","15.7249","0.0002","90","","97.95","0.001","90","","2817.65","0.06","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Br Cu N4 P -","- C29 H29 Br Cu N4 P -","- C116 H116 Br4 Cu4 N16 P4 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0425","0.0326","","","0.0654","0.0694","","","","","","0.889","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335804","10.5931","0.0004","16.8769","0.0006","15.5198","0.0006","90","","97.24","0.002","90","","2752.49","0.18","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Cl Cu N4 P -","- C29 H29 Cl Cu N4 P -","- C116 H116 Cl4 Cu4 N16 P4 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0863","0.0426","","","0.0563","0.066","","","","","","0.979","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335805","10.7879","0.001","17.1097","0.0017","16.297","0.002","90","","98.354","0.001","90","","2976.1","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H31 Cu I N4 P -","- C30 H31 Cu I N4 P -","- C120 H124 Cu4 I4 N16 P4 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0587","0.0515","","","0.13","0.1357","","","","","","1.04","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335943","13.736","0.003","21.167","0.003","12.464","0.002","90","","121.98","0.004","90","","3073.9","0.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Pd Por3","Pd Porphyrin 3","","- C43 H27 N5 Pd -","- C43 H27 N5 Pd -","- C172 H108 N20 Pd4 -","4","1","","Christopher M. Lemon; Elizabeth Karnas; Moungi G. Bawendi; Daniel G. Nocera","Two-Photon Oxygen Sensing with Quantum Dot-Porphyrin Conjugates","Inorganic Chemistry","2013","52","","10394","10406","10.1021/ic4011168","","","0.71073","MoKα","","0.0518","0.0425","","","0.1021","0.1087","","","","","","1.127","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4336083","23.626","0.003","15.8447","0.0018","17.432","0.002","90","","128.969","0.002","90","","5073.6","1.1","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H76 B2 N8 Na2 O7 -","- C34 H62 B2 N8 Na2 O7 -","- C136 H248 B8 N32 Na8 O28 -","4","1","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.0995","0.0513","","","0.0628","0.0687","","","","","","1.016","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336099","15.367","0.005","10.519","0.002","8.8426","0.0018","90","","111.94","0.03","90","","1325.8","0.6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H11 Cl N2 S2 Si -","- C11 H11 Cl N2 S2 Si -","- C44 H44 Cl4 N8 S8 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0428","0.0348","","","0.0835","0.1086","","","","","","1.139","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336175","6.9714","0.0002","12.0787","0.0005","13.3935","0.0005","90","","99.865","0.005","90","","1111.13","0.07","295","","295","","","","","","","","synthesis as described","3","C 1 c 1","C -2yc","9","","","","- Cu2 Se3 Sn -","- Cu2 Se3 Sn -","- Cu16 Se24 Sn8 -","8","2","","Jing Fan; Wilder Carrillo-Cabrera; Lev Akselrud; Iryna Antonyshyn; Lidong Chen; Yuri Grin","New Monoclinic Phase at the Composition Cu2SnSe3 and Its Thermoelectric Properties","Inorganic Chemistry","2013","52","","11067","11074","10.1021/ic401317k","powder diffraction","","0.430459","synchrotron","","","","","","","","","","","","","","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336489","39.522","0.004","12.4506","0.0011","23.074","0.002","90","","118.076","0.002","90","","10018","1.6","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H34 N4 O5 -","- C26 H34 N4 O5 -","- C416 H544 N64 O80 -","16","4","","Yoichi Habata; Mari Ikeda; Ajay K. Sah; Kanae Noto; Shunsuke Kuwahara","Selective Retention of Methanol over Ethanol by a Cyclen-Based Cryptand/Copper(II) Complex","Inorganic Chemistry","2013","52","","11697","11699","10.1021/ic4021417","","","0.71073","MoKα","","0.078","0.0611","","","0.1537","0.1687","","","","","","1.021","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336538","17.4769","0.001","12.6948","0.0005","13.5233","0.0008","90","","118.782","0.008","90","","2629.7","0.3","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H39 Li Mg N4 Si2 -","- C22 H39 Li Mg N4 Si2 -","- C88 H156 Li4 Mg4 N16 Si8 -","4","1","","Fabrizio Ortu; Graeme J. Moxey; Alexander J. Blake; William Lewis; Deborah L. Kays","Alkaline Earth Complexes of Silylated Aminopyridinato Ligands: Homoleptic Compounds and Heterobimetallic Coordination Polymers","Inorganic Chemistry","2013","52","","12429","12439","10.1021/ic4012923","","","1.54184","CuKα","","0.0556","0.0476","","","0.1189","0.1248","","","","","","1.068","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336596","35.964","0.013","9.425","0.003","19.587","0.008","90","","119.893","0.007","90","","5756","4","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H46 Cl Ir N4 -","- C26 H46 Cl Ir N4 -","- C208 H368 Cl8 Ir8 N32 -","8","2","","David J. Nelson; Byron J. Truscott; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis and Reactivity of New Bis(N-heterocyclic carbene) Iridium(I) Complexes","Inorganic Chemistry","2013","52","","12674","12681","10.1021/ic4018773","","","0.71075","MoKα","","","0.0774","","","","0.1906","","","","","","1.088","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336695","11.2697","0.0006","39.566","0.003","9.1863","0.0005","90","","115.23","0.006","90","","3705.4","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 Co N4 S2 -","- C16 H18 Co N4 S2 -","- C128 H144 Co8 N32 S16 -","8","2","","Susanne Wöhlert; Tomasz Fic; Zbigniew Tomkowicz; Stefan G. Ebbinghaus; Michał Rams; Wolfgang Haase; Christian Näther","Structural and Magnetic Studies of a New Co(II) Thiocyanato Coordination Polymer Showing Slow Magnetic Relaxations and a Metamagnetic Transition","Inorganic Chemistry","2013","52","","12947","12957","10.1021/ic4012235","","","0.71073","MoKα","","0.0564","0.041","","","0.096","0.1027","","","","","","0.96","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4337128","14.3777","0.0003","12.2507","0.0002","16.3481","0.0003","90","","93.622","0.001","90","","2873.75","0.09","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H30 Co2 O7 Rh2 -","- C27 H30 Co2 O7 Rh2 -","- C108 H120 Co8 O28 Rh8 -","4","1","","Roy, Dipak Kumar; Barik, Subrat Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","A Novel Heterometallic μ9-Boride Cluster: Synthesis and Structural Characterization of [(η(5)-C5Me5Rh)2{Co6(CO)12}(μ-H)(BH)B].","Inorganic chemistry","2014","53","2","667","669","10.1021/ic4021178","","","0.71073","MoKα","","0.0215","0.0208","","","0.0492","0.0496","","","","","","1.054","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337178","24.571","0.008","16.581","0.005","17.629","0.005","90","","122.542","0.008","90","","6055","3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C71 H56 B Cl Cu2 F4 N6 P2 -","- C71 H56 B Cl Cu2 F4 N6 P2 -","- C284 H224 B4 Cl4 Cu8 F16 N24 P8 -","4","1","","Kumar, Shanish; Mani, Ganesan; Dutta, Debodyuti; Mishra, Sabyashachi","Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu-X···HN Hydrogen Bonds.","Inorganic chemistry","2014","53","2","700","709","10.1021/ic402253y","","","0.71073","MoKα","","0.1653","0.0672","","","0.09","0.1149","","","","","","0.992","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337179","42.72","0.009","5.94","0.0012","24.2","0.005","90","","114","0.03","90","","5610","2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H34 B F4 N4 O Pt -","- C31 H34 B F4 N4 O Pt -","- C248 H272 B8 F32 N32 O8 Pt8 -","8","2","","Deibel, Naina; Schweinfurth, David; Hohloch, Stephan; Delor, Milan; Sazanovich, Igor V.; Towrie, Michael; Weinstein, Julia A.; Sarkar, Biprajit","Electrochemistry, Chemical Reactivity, and Time-Resolved Infrared Spectroscopy of Donor-Acceptor Systems [(Q(x))Pt(pap(y))] (Q = Substituted o-Quinone or o-Iminoquinone; pap = Phenylazopyridine).","Inorganic chemistry","2014","53","2","1021","1031","10.1021/ic4024713","","","0.71073","MoKα","","0.0327","0.0283","","","0.0659","0.078","","","","","","1.174","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337335","12.487","0.004","30.961","0.011","23.215","0.007","90","","101.066","0.005","90","","8808","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Co2 F24 Gd2 N4 O16 -","- C78 H74 Co2 F24 Gd2 N4 O16 -","- C312 H296 Co8 F96 Gd8 N16 O64 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0441","0.0371","","","0.0804","0.0828","","","","","","1.136","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337336","12.4119","0.0009","30.895","0.002","23.1418","0.0016","90","","100.714","0.003","90","","8719.4","1","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Co2 F24 N4 O16 Tb2 -","- C78 H74 Co2 F24 N4 O16 Tb2 -","- C312 H296 Co8 F96 N16 O64 Tb8 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0711","0.0588","","","0.1423","0.1529","","","","","","1.084","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337337","12.4052","0.0005","30.8506","0.0013","23.1455","0.001","90","","100.866","0.002","90","","8699.1","0.6","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Co2 Dy2 F24 N4 O16 -","- C78 H74 Co2 Dy2 F24 N4 O16 -","- C312 H296 Co8 Dy8 F96 N16 O64 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0556","0.0429","","","0.1123","0.1236","","","","","","0.853","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337338","12.4729","0.0008","31.218","0.002","23.1884","0.0015","90","","100.334","0.002","90","","8882.6","1","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Co2 F24 Ho2 N4 O16 -","- C78 H74 Co2 F24 Ho2 N4 O16 -","- C312 H296 Co8 F96 Ho8 N16 O64 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0613","0.0451","","","0.1207","0.1349","","","","","","0.905","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337340","12.4944","0.0007","31.2598","0.0017","23.219","0.0012","90","","100.184","0.001","90","","8925.8","0.8","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Dy2 F24 N4 O16 Zn2 -","- C78 H74 Dy2 F24 N4 O16 Zn2 -","- C312 H296 Dy8 F96 N16 O64 Zn8 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0575","0.0415","","","0.1094","0.1252","","","","","","0.864","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337504","18.8314","0.0017","21.5487","0.0017","21.0387","0.0018","90","","90.317","0.002","90","","8537.2","1.3","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C83 H74 F24 N8 O P4 Ru2 S4 -","- C83 H74 F24 N8 O P4 Ru2 S4 -","- C332 H296 F96 N32 O4 P16 Ru8 S16 -","4","1","","Al-Rawashdeh, Nathir A F; Chatterjee, Sayandev; Krause, Jeanette A.; Connick, William B.","Ruthenium bis-diimine complexes with a chelating thioether ligand: delineating 1,10-phenanthrolinyl and 2,2'-bipyridyl ligand substituent effects.","Inorganic chemistry","2014","53","1","294","307","10.1021/ic4022454","","","0.7749","synchrotron","","0.0616","0.0463","","","0.1047","0.1121","","","","","","1.019","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337737","19.701","0.0011","21.8705","0.0014","13.0814","0.0009","90","","116.207","0.004","90","","5057","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H63 Cl6 Co N3 O2 -","- C52 H63 Cl6 Co N3 O2 -","- C208 H252 Cl24 Co4 N12 O8 -","4","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0649","0.0492","","","0.1199","0.1302","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337913","56.2065","0.0011","28.0254","0.0004","19.0501","0.0004","90","","90.438","0.002","90","","30007","1","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H60 N O3 P3 Ru -","- C36 H60 N O3 P3 Ru -","- C1152 H1920 N32 O96 P96 Ru32 -","32","8","","Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands.","Inorganic chemistry","2014","53","7","3742","","10.1021/ic500030k","","","0.71073","MoKα","","0.0416","0.034","","","0.0762","0.0815","","","","","","1.051","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4338034","25.4814","0.0012","17.1832","0.0008","18.1746","0.0009","90","","133.54","","90","","5768.5","0.5","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H16 N16 O64 Pb16 -","- H16 N16 O64 Pb16 -","- H64 N64 O256 Pb64 -","4","1","","Chang, Lixian; Wang, Li; Su, Xin; Pan, Shilie; Hailili, Reshalaiti; Yu, Hongwei; Yang, Zhihua","A Nitrate Nonlinear Optical Crystal Pb16(OH)16(NO3)16 with a Large Second-Harmonic Generation Response.","Inorganic chemistry","2014","53","7","3320","","10.1021/ic402404a","","","0.71073","MoKα","","0.0533","0.0432","","","0.0938","0.113","","","","","","1.071","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338048","11.458","0.014","7.019","0.014","7.324","0.014","90","","124.413","0.016","90","","485.9","1.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B2 K O6 Sb -","- B2 K O6 Sb -","- B8 K4 O24 Sb4 -","4","1","","Huang, Chao; Zhang, Jian-Han; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","KSbB2O6 and BaSb2B4O12: Novel Boroantimonates with 3D Anionic Architectures Composed of 1D Chains of SbO6 Octahedra and B2O5 Groups.","Inorganic chemistry","2014","53","7","3847","","10.1021/ic5001842","","","0.71073","MoKα","","0.0244","0.0216","","","0.0505","0.0509","","","","","","1.092","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338121","15.481","0.002","12.2437","0.0011","9.4722","0.0013","90","","118.609","0.005","90","","1576.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 N4 O4 Zn -","- C14 H14 N4 O4 Zn -","- C56 H56 N16 O16 Zn4 -","4","1","","Guo, Jin-Shuang; Xu, Gang; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong","A Highly Stable 3D Acentric Zinc Metal-Organic Framework Based on Two Symmetrical Flexible Ligands: High Second-Harmonic-Generation Efficiency and Tunable Photoluminescence.","Inorganic chemistry","2014","53","9","4278","4280","10.1021/ic500315z","","","0.71073","MoKα","","0.0404","0.036","","","0.0663","0.0685","","","","","","0.996","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4338148","14.05","0.001","16.735","0.002","8.913","0.001","90","","99.032","0.005","90","","2069.7","0.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H27 Ag B F4 N3 O -","- C18 H27 Ag B F4 N3 O -","- C72 H108 Ag4 B4 F16 N12 O4 -","4","1","","Bassanetti, Irene; Twist, Christina P.; Kim, Myung-Gil; Seyam, Afif M.; Bazzi, Hassan S.; Wang, Q. Jane; Chung, Yip-Wah; Marchió, Luciano; Delferro, Massimiliano; Marks, Tobin J.","Synthesis and characterization of silver(i) pyrazolylmethylpyridine complexes and their implementation as metallic silver thin film precursors.","Inorganic chemistry","2014","53","9","4629","4638","10.1021/ic500321w","","","0.71073","MoKα","","0.0743","0.0482","","","0.0913","0.1003","","","","","","1.007","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338153","20.5936","0.0013","11.5366","0.0007","21.81","0.002","90","","111.952","0.001","90","","4805.9","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50.3 H69.7 Cu3 N6 O0.35 S -","- C50.3 H69.7 Cu3 N6 O0.35 S -","- C201.2 H278.8 Cu12 N24 O1.4 S4 -","4","1","","Di Francesco, Gianna N.; Gaillard, Aleth; Ghiviriga, Ion; Abboud, Khalil A.; Murray, Leslie J.","Modeling biological copper clusters: synthesis of a tricopper complex, and its chloride- and sulfide-bridged congeners.","Inorganic chemistry","2014","53","9","4647","4654","10.1021/ic500333p","","","0.71073","MoKα","","0.0465","0.0382","","","0.095","0.0977","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338203","11.1484","0.0009","14.8319","0.0012","14.8211","0.0011","90","","98.561","0.008","90","","2423.4","0.3","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H33 Cl2 N5 O10 -","- C19 H33 Cl2 N5 O10 -","- C76 H132 Cl8 N20 O40 -","4","1","","Lima, Luís M P; Halime, Zakaria; Marion, Ronan; Camus, Nathalie; Delgado, Rita; Platas-Iglesias, Carlos; Tripier, Raphaël","Monopicolinate Cross-Bridged Cyclam Combining Very Fast Complexation with Very High Stability and Inertness of Its Copper(II) Complex.","Inorganic chemistry","2014","53","10","5269","5279","10.1021/ic500491c","","","0.71073","MoKα","","0.0911","0.0566","","","0.1143","0.1261","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338229","8.0564","0.0004","24.3641","0.001","7.2948","0.0003","90","","92.166","0.002","90","","1430.85","0.11","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H10 N2 O2 S2 -","- C18 H10 N2 O2 S2 -","- C72 H40 N8 O8 S8 -","4","1","","Li, Ping; Amirjalayer, Saeed; Hartl, František; Lutz, Martin; Bruin, Bas de; Becker, René; Woutersen, Sander; Reek, Joost N. H.","Direct Probing of Photoinduced Electron Transfer in a Self-Assembled Biomimetic [2Fe2S]-Hydrogenase Complex Using Ultrafast Vibrational Spectroscopy.","Inorganic chemistry","2014","53","10","5373","5383","10.1021/ic500777d","","","0.71073","MoKα","","0.0262","0.024","","","0.0582","0.0589","","","","","","1.048","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338325","25.718","0.008","17.275","0.004","18.315","0.005","90","","133.494","0.004","90","","5903","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H0 N1.19 O4.74 Pb1.19 -","- N1.18519 O4.74074 Pb1.18519 -","- N64 O256 Pb64 -","54","13.5","","Wang, Genxiang; Luo, Min; Ye, Ning; Lin, Chensheng; Cheng, Wendan","Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems.","Inorganic chemistry","2014","53","10","5222","5228","10.1021/ic5004116","","","0.71073","MoKα","","0.0621","0.0572","","","0.12","0.1228","","","","","","1.098","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338389","7.1563","0.0008","18.8826","0.0012","6.2227","0.0006","90","","115.463","0.013","90","","759.19","0.15","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H8 Li N O4 -","- C6 H8 Li N O4 -","- C24 H32 Li4 N4 O16 -","4","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0374","0.0343","","","0.0904","0.1057","","","","","","1.126","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338563","16.922","0.0003","25.214","0.0006","13.828","0.0003","90","","107.598","0.002","90","","5623.9","0.2","223","1","223","1","","","","","","","","7","C 1 c 1","C -2yc","9","jfk53","","","- C56 H42 Cd F10 N4 O2 Pt -","- C53 H36 Cd F10 N4 O Pt -","- C212 H144 Cd4 F40 N16 O4 Pt4 -","4","1","","Berenguer, Jesús R; Gil, Belén; Fernández, Julio; Forniés, Juan; Lalinde, Elena","Self-Assembly of Luminescent Alkynyl-Based Platinum‒Cadmium Complexes Containing Auxiliary Diimine or Terpyridine Ligands","Inorganic chemistry","2009","48","12","5250","5262","10.1021/ic9002109","","","0.71073","MoKα","","0.0467","0.042","","","0.1128","0.1156","","","","","","1.066","","","","has coordinates","209991","2020-10-21","18:00:00",""
"4338877","10.018","0.002","17.175","0.003","10.438","0.002","90","","91.28","0.03","90","","1795.5","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H18 Ag N3 O4 S -","- C16 H18 Ag N3 O4 S -","- C64 H72 Ag4 N12 O16 S4 -","4","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Structural study of silver(I) sulfonate complexes with pyrazine derivatives.","Inorganic chemistry","2007","46","18","7299","7311","10.1021/ic070147s","","","0.71073","MoKα","","0.0368","0.0341","","","0.0869","0.0909","","","","","","1.105","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4339048","21.9709","0.0014","6.9093","0.0003","17.1489","0.001","90","","98.785","0.007","90","","2572.7","0.3","220","2","220","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cs2 P4 S16 Ti2 -","- Cs2 P4 S16 Ti2 -","- Cs8 P16 S64 Ti8 -","4","1","","Wu, Yuandong; Bensch, Wolfgang","Rb(3)Ti(3)(P(4)S(13))(PS(4))(3) and Cs(2)Ti(2)(P(2)S(8))(PS(4))(2): two polar titanium thiophosphates with complex one-dimensional tunnels.","Inorganic chemistry","2007","46","15","6170","6177","10.1021/ic700478r","","","0.71073","MoKα","","0.0414","0.0337","","","0.0771","0.0801","","","","","","0.973","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339348","10.7664","0.0011","23.771","0.002","13.8319","0.0015","90","","110.576","0.006","90","","3314.1","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H29 Fe Mn N9 O5 -","- C34 H25 Fe Mn N9 O5 -","- C136 H100 Fe4 Mn4 N36 O20 -","4","1","","Kim, Jae Il; Yoo, Houng Sik; Koh, Eui Kwan; Hong, Chang Seop","Field-induced metamagnetic transition in the Fe(III)-Mn(III) bimetallic chain built by a new cyanide-bearing Fe(III) precursor.","Inorganic chemistry","2007","46","25","10461","10463","10.1021/ic702001q","","","0.71073","MoKα","","0.0396","0.0331","","","0.0841","0.0923","","","","","","1.113","","","","has coordinates","179496","2020-10-21","18:00:00",""
"4339612","25.1506","0.0008","23.5357","0.001","21.7239","0.0008","90","","124.346","0.002","90","","10617.1","0.7","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C94.5 H117.1 Cl12.9 N8 O5.7 Pd S2 -","- C94.5 H117.1 Cl12.9 N8 O5.7 Pd S2 -","- C378 H468.4 Cl51.6 N32 O22.8 Pd4 S8 -","4","1","","Blight, Barry A.; Wei, Xu; Wisner, James A.; Jennings, Michael C.","[2]Pseudorotaxane and [2]rotaxane molecular shuttles: self-assembly through second-sphere coordination of thiocyanate ligands.","Inorganic chemistry","2007","46","21","8445","8447","10.1021/ic701021p","","","0.71073","MoKα","","0.138","0.0948","","","0.2385","0.2716","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4339625","15.5562","0.0016","16.9163","0.0017","14.3802","0.0014","90","","110.859","0.002","90","","3536.2","0.6","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis-di(p-methylbenzonatemethane)ruthenium(II)[(pyridin-2-one)-amino]","","- C41 H35.5 O7.5 Ru -","- C41 H35.5 N6.5 O Ru -","- C164 H142 N26 O4 Ru4 -","4","1","","Wang, Peijiao; Miller, Jeremiah E.; Henling, Lawrence M.; Stern, Charlotte L.; Frank, Natia L.; Eckermann, Amanda L.; Meade, Thomas J.","Synthesis and characterization of ruthenium and rhenium nucleosides.","Inorganic chemistry","2007","46","23","9853","9862","10.1021/ic701250r","","","0.71073","MoKα","","0.046","0.0432","","","0.1108","0.114","","","","","","1.103","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4339719","12.9666","0.0009","20.1452","0.0014","11.7021","0.0008","90","","110.02","0.001","90","","2872.1","0.3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","4","","","- C23 H27 Ag Au B2 F8 N7 P0 -","- C23 H27 Ag Au B2 F8 N7 -","- C92 H108 Ag4 Au4 B8 F32 N28 -","4","1","","Catalano, Vincent J.; Etogo, Anthony O.","Preparation of Au(I), Ag(I), and Pd(II) N-heterocyclic carbene complexes utilizing a methylpyridyl-substituted NHC ligand. formation of a luminescent coordination polymer.","Inorganic chemistry","2007","46","14","5608","5615","10.1021/ic070260i","","","0.71073","MoKα","","0.0397","0.0348","","","0.0764","0.078","","","","","","0.946","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339785","15.139","0.01","10.791","0.007","21.138","0.013","90","","97.04","0.02","90","","3427","4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H27 Mn N13 O4 -","- C35 H27 Mn N13 O4 -","- C140 H108 Mn4 N52 O16 -","4","1","","Dey, Subrata K.; Abedin, Tareque S. M.; Dawe, Louise N.; Tandon, Santokh S.; Collins, Julie L.; Thompson, Laurence K.; Postnikov, Andrei V.; Alam, Mohammad S.; Müller, Paul","Supramolecular self-assembled polynuclear complexes from tritopic, tetratopic, and pentatopic ligands: structural, magnetic and surface studies.","Inorganic chemistry","2007","46","19","7767","7781","10.1021/ic070336a","","","0.7107","MoKα","","0.0958","0.0883","","","0.2083","0.2174","","","","","","1.132","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339835","24.4555","0.0015","13.8637","0.0015","26.961","0.003","90","","109.257","0.002","90","","8629.5","1.4","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C61 H60 N3 O37 Rh17 -","- C61 H60 N3 O37 Rh17 -","- C244 H240 N12 O148 Rh68 -","4","1","","Collini, Davide; Biani, Fabrizia Fabrizi De; Fedi, Serena; Femoni, Cristina; Kaswalder, Francesco; Iapalucci, Maria Carmela; Longoni, Giuliano; Tiozzo, Cristina; Zacchini, Stefano; Zanello, Piero","Synthesis and electrochemistry of new Rh-centered and conjuncto rhodium carbonyl clusters. X-ray structure of [NEt(4)](3)[Rh(15)(CO)(27)], [NEt(4)](3)[Rh(15)(CO)(25)(MeCN)(2)] x 2MeCN, and [NEt(4)](3)[Rh(17)(CO)(37)].","Inorganic chemistry","2007","46","19","7971","7981","10.1021/ic0623718","","","0.71073","MoKα","","0.1428","0.1083","","","0.2294","0.2491","","","","","","1.136","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4339893","17.9576","0.0017","17.7811","0.0017","11.7065","0.0011","90","","102.812","0.002","90","","3644.9","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H55 Ag N11 O7 P3 -","- C20 H54 Ag N11 O7 P3 -","- C80 H216 Ag4 N44 O28 P12 -","4","1","","Benson, Mark A.; Zacchini, Stefano; Boomishankar, Ramamoorthy; Chan, Yuri; Steiner, Alexander","Alkylation and acylation of cyclotriphosphazenes.","Inorganic chemistry","2007","46","17","7097","7108","10.1021/ic7009463","","","0.71073","MoKα","","0.0465","0.0458","","","0.1186","0.1194","","","","","","1.034","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4340069","18.254","0.002","18.645","0.002","16.109","0.002","90","","97.618","0.003","90","","5434.2","1.1","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H38 Cl2 Co P2 -","- C26 H38 Cl2 Co P2 -","- C208 H304 Cl16 Co8 P16 -","8","2","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.137","0.0583","","","0.0652","0.0819","","","","","","0.96","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340442","28.6094","0.0009","9.2197","0.0003","28.526","0.0009","90","","100.55","0.001","90","","7397.1","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H57 F9 Mn3 N15 O12 S3 -","- C72 H57 F9 Mn3 N15 O12 S3 -","- C288 H228 F36 Mn12 N60 O48 S12 -","4","1","","Wijeratne, Gayan B.; Corzine, Briana; Day, Victor W.; Jackson, Timothy A.","Saturation Kinetics in Phenolic O-H Bond Oxidation by a Mononuclear Mn(III)-OH Complex Derived from Dioxygen.","Inorganic chemistry","2014","53","14","7622","7634","10.1021/ic500943k","","","1.54178","CuKα","","0.0372","0.037","","","0.0958","0.096","","","","","","1.018","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340791","18.8862","0.0002","18.9089","0.0002","27.9588","0.0003","90","","91.016","0.001","90","","9983","0.18","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H28 Br Ge Mn N2 O4 -","- C21 H28 Br Ge Mn N2 O4 -","- C336 H448 Br16 Ge16 Mn16 N32 O64 -","16","4","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Conversion of a Monodentate Amidinate-Germylene Ligand into Chelating Imine-Germanate Ligands (on Mononuclear Manganese Complexes).","Inorganic chemistry","2014","53","16","8735","8741","10.1021/ic501418p","","","1.5418","CuKα","","0.051","0.0487","","","0.1282","0.1305","","","","","","1.037","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"4341207","17.0993","0.0019","9.605","0.0011","15.5131","0.0018","90","","109.67","0.002","90","","2399.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H39 N4 S Si3 V -","- C15 H39 N4 S Si3 V -","- C60 H156 N16 S4 Si12 V4 -","4","1","","Majumdar, Subhojit; Stauber, Julia M.; Palluccio, Taryn D.; Cai, Xiaochen; Velian, Alexandra; Rybak-Akimova, Elena V; Temprado, Manuel; Captain, Burjor; Cummins, Christopher C.; Hoff, Carl D.","Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes.","Inorganic chemistry","2014","","","141003140335004","","10.1021/ic5017005","","","0.71073","MoKα","","0.0182","0.0178","","","0.046","0.0463","","","","","","1.062","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341327","25.334","0.005","14.541","0.003","25.145","0.005","90","","111.92","0.03","90","","8593","3","143","2","143","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H90 Eu K3 O15 Si6 -","- C84 H90 Eu K3 O15 Si6 -","- C336 H360 Eu4 K12 O60 Si24 -","4","1","","Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.","Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.","Inorganic chemistry","2014","53","21","11662","11674","10.1021/ic501837x","","","0.71073","MoKα","","0.0561","0.0393","","","0.0661","0.0701","","","","","","0.927","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341360","25.061","0.001","14.2632","0.0008","25.987","0.002","90","","103.035","0.007","90","","9049.7","1","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H87 Ag6 Ba2 I11 O16 S14 -","- C28 H87 Ag6 Ba2 I11 O16 S14 -","- C112 H348 Ag24 Ba8 I44 O64 S56 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.066","0.0574","","0.1559","0.143","0.1559","","","","","","0.9949","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341368","14.3608","0.0006","24.8788","0.0013","16.2469","0.0007","90","","90.053","0.002","90","","5804.7","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C62 H76 Co N2 O7 -","- C62.0002 H76.0008 Co N2 O7.0002 -","- C248.001 H304.003 Co4 N8 O28.0008 -","4","1","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.1284","0.0862","","","0.2239","0.261","","","","","","1.021","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341525","9.2835","0.0002","25.5403","0.0007","20.4839","0.0006","90","","98.748","0.003","90","","4800.3","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H48 B2 F8 N10 Ni -","- C52 H48 B2 F8 N10 Ni -","- C208 H192 B8 F32 N40 Ni4 -","4","1","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","1.5418","CuKα","","0.0632","0.0596","","","0.1618","0.1672","","","","","","1.037","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341619","8.5361","0.0003","26.5298","0.0011","6.2175","0.0002","90","","113.312","0.001","90","","1293.08","0.08","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H15 Co N O7 P2 -","- C9 H15 Co N O7 P2 -","- C36 H60 Co4 N4 O28 P8 -","4","1","","Cai, Zhong-Sheng; Ren, Min; Bao, Song-Song; Hoshino, Norihisa; Akutagawa, Tomoyuki; Zheng, Li-Min","Synthetic-Method-Dependent Magnetic Relaxation in a Cobalt(II) Phosphonate Chain Compound.","Inorganic chemistry","2014","","","141113121612004","","10.1021/ic5021737","","","0.71073","MoKα","","0.0202","0.0191","","","0.0428","0.0431","","","","","","0.997","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341642","12.1152","0.0011","29.1414","0.0018","9.7545","0.0008","90","","111.044","0.004","90","","3214.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H12 La N7 O33 Pb8 -","- La N7 O33 Pb8 -","- La4 N28 O132 Pb32 -","4","1","","Wang, Genxiang; Luo, Min; Lin, Chensheng; Ye, Ning; Zhou, Yuqiao; Cheng, Wendan","Lanthanum Lead Oxide Hydroxide Nitrates with a Nonlinear Optical Effect.","Inorganic chemistry","2014","","","141111081701007","","10.1021/ic502202a","","","0.71073","MoKα","","0.071","0.0658","","","0.1448","0.147","","","","","","1.02","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4341697","13.914","0.0004","14.3509","0.0004","20.4398","0.0006","90","","94.1728","0.0015","90","","4070.6","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","AMLJA061AJMcc","","","- C32 H56 Hf2 O16 -","- C32 H56 Hf2 O16 -","- C128 H224 Hf8 O64 -","4","1","","Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.","Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.","Inorganic chemistry","2014","","","141117102556003","","10.1021/ic501904m","","","0.71073","MoKα","","0.0215","0.0206","","","0.0539","0.0667","","","","","","1.177","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341842","17.8638","0.0006","8.6385","0.0003","14.9031","0.0005","90","","111.176","0.001","90","","2144.5","0.13","100","2","100","2","","","","","","","synthetical product","5","C 1 c 1","C -2yc","9","","Bis(2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-phenolato)-me- thoxy-oxo-rhenium(V)","","- C23 H27 N2 O6 Re -","- C23 H27 N2 O6 Re -","- C92 H108 N8 O24 Re4 -","4","1","","Schachner, Jörg A; Terfassa, Belina; Peschel, Lydia M.; Zwettler, Niklas; Belaj, Ferdinand; Cias, Pawel; Gescheidt, Georg; Mösch-Zanetti, Nadia C","Oxorhenium(V) Complexes with Phenolate-Oxazoline Ligands: Influence of the Isomeric Form on the O-Atom-Transfer Reactivity.","Inorganic chemistry","2014","","","141202093244006","","10.1021/ic501932c","","","0.71073","MoKα","","0.0181","0.0172","","","0.0444","0.0451","","","","","","1.072","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4342076","43.009","0.002","9.6038","0.0004","25.0691","0.0011","90","","105.365","0.005","90","","9984.7","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C89 H110 Cd2 N Na O24 -","- C89 H56 Cd2 N Na O24 -","- C356 H224 Cd8 N4 Na4 O96 -","4","1","","Lv, Li Li; Yang, Jin; Zhang, Hong-Mei; Liu, Ying-Ying; Ma, Jian-Fang","Metal-Ion Exchange, Small-Molecule Sensing, Selective Dye Adsorption, and Reversible Iodine Uptake of Three Coordination Polymers Constructed by a New Resorcin[4]arene-Based Tetracarboxylate.","Inorganic chemistry","2015","54","4","1744","1755","10.1021/ic502686b","","","0.71073","MoKα","","0.1914","0.0964","","","0.2159","0.2814","","","","","","1.017","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342137","16.2076","0.0019","14.4552","0.0011","16.2482","0.0012","90","","90.172","0.003","90","","3806.7","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","Hg (O Te F5)5,(N CH3)4,(N CH3)4,(N CH3)4","","","- C12 H36 F25 Hg N3 O5 Te5 -","- C12 H36 F25 Hg N3 O5 Te5 -","- C48 H144 F100 Hg4 N12 O20 Te20 -","4","1","","DeBackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF5)4](2-), [Hg(OTeF5)5](3-), [Hg2(OTeF5)6](2-), [Hg(OTeF5)4](2-)·Hg(OTeF5)2, and [Hg2(OTeF5)7](3-)·Hg(OTeF5)2.","Inorganic chemistry","2015","54","4","1606","1626","10.1021/ic502602p","","","0.71073","MoKα","","0.0204","0.0196","","","0.0421","0.0424","","","","","","0.99","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342151","8.7001","0.0007","16.5868","0.0013","14.4047","0.0011","90","","92.885","0.0013","90","","2076.1","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H24 B Fe O2 P -","- C24 H24 B Fe O2 P -","- C96 H96 B4 Fe4 O8 P4 -","4","1","","Abubekerov, Mark; Diaconescu, Paula L.","Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).","Inorganic chemistry","2015","54","4","1778","1784","10.1021/ic502691b","","","0.71073","MoKα","","0.0263","0.0249","","","0.0608","0.0612","","","","","","1.025","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342315","8.3336","0.0002","21.0561","0.0005","14.0166","0.0003","90","","100.04","0.001","90","","2421.87","0.1","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H30 Br Cu N4 O2 -","- C24 H30 Br Cu N4 O2 -","- C96 H120 Br4 Cu4 N16 O8 -","4","1","","Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav","Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands.","Inorganic chemistry","2015","54","4","1474","1486","10.1021/ic502484s","","","0.71073","MoKα","","0.0309","0.0245","","","0.0721","0.0792","","","","","","0.9","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342443","8.415","0.003","43.04","0.012","16.659","0.005","90","","102.833","0.007","90","","5883","3","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H32 Cl2 N8 O5 Rh2 -","- C22 H30 Cl2 N8 O5 Rh2 -","- C176 H240 Cl16 N64 O40 Rh16 -","8","2","","Jin-Long, ?; Matsuda, Yuki; Uemura, Kazuhiro; Ebihara, Masahiro","Mixed Valency in Quadruple Hydrogen-Bonded Dimers of Bis(biimidazolate)dirhodium Complexes.","Inorganic chemistry","2015","54","5","2331","","10.1021/ic502953b","","","0.71075","MoKα","","0.1194","0.1065","","","0.2663","0.2776","","","","","","1.049","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342554","19.345","0.004","15.089","0.003","11.43","0.003","90","","90.608","0.004","90","","3336.2","1.3","93","","93","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H54 N4 P2 Se2 Sn -","- C24 H54 N4 P2 Se2 Sn -","- C96 H216 N16 P8 Se8 Sn4 -","4","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","","0.0516","","","","0.1233","","","","","","0.923","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342562","23.604","0.008","41.954","0.012","11.675","0.004","90","","116.908","0.004","90","","10310","6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H47 Mn4 N O31 S5 -","- C72 H49 Mn4 N O31 S5 -","- C288 H196 Mn16 N4 O124 S20 -","4","1","","Tian, Chong-Bin; He, Chao; Han, Yun-Hu; Wei, Qi; Li, Qi-Peng; Lin, Ping; Du, Shao-Wu","Four New Mn(II) Inorganic-Organic Hybrid Frameworks with Diverse Inorganic Magnetic Chain's Sequences: Syntheses, Structures, Magnetic, NLO, and Dielectric Properties.","Inorganic chemistry","2015","54","6","2560","2571","10.1021/ic502664e","","","0.71073","MoKα","","0.084","0.0612","","","0.1635","0.1873","","","","","","1.038","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4343215","8.4681","0.0008","42.973","0.004","12.5165","0.0013","90","","106.739","0.001","90","","4361.8","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","dimer1","","","- C30 N4 O19 U2 -","- C30 N4 O19 U2 -","- C120 N16 O76 U8 -","4","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0541","0.0461","","","0.1112","0.1178","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343272","27.6682","0.0019","11.4434","0.0007","17.0104","0.0013","90","","126.648","0.006","90","","4321.1","0.6","100","","100","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C41 H34 B F20 Mo N O P2 -","- C41 H34 B F20 Mo N O P2 -","- C164 H136 B4 F80 Mo4 N4 O4 P8 -","4","1","","Zhang, Shaoguang; Bullock, R. Morris","Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.","Inorganic chemistry","2015","54","13","6397","6409","10.1021/acs.inorgchem.5b00728","","","0.71073","MoKα","","0.0477","0.0368","","","0.0789","0.0832","","","","","","1.022","","","","has coordinates","152789","2020-10-21","18:00:00",""
"4343297","22.0183","0.001","12.7548","0.001","22.0821","0.0013","90","","99.187","0.002","90","","6122","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H48 B F24 N2 Rh -","- C63 H48 B F24 N2 Rh -","- C252 H192 B4 F96 N8 Rh4 -","4","1","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.0544","0.0398","","","0.0837","0.0893","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343299","22.0782","0.0008","12.7398","0.0004","22.0446","0.0008","90","","97.843","0.001","90","","6142.5","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H47 B F25 N2 Rh -","- C63 H47 B F25 N2 Rh -","- C252 H188 B4 F100 N8 Rh4 -","4","1","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.0397","0.0335","","","0.0829","0.0855","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343372","10.495","0.01","15.692","0.015","22.76","0.02","90","","102.605","0.012","90","","3658","6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H48 Cl Co Fe N4 S -","- C39 H48 Cl Co Fe N4 S -","- C156 H192 Cl4 Co4 Fe4 N16 S4 -","4","1","","Rhine, Melody A.; Sanders, Brian C.; Patra, Ashis K.; Harrop, Todd C.","Overview and New Insights into the Thiol Reactivity of Coordinated NO in {MNO}(6/7/8) (M = Fe, Co) Complexes.","Inorganic chemistry","2015","54","19","9351","9366","10.1021/acs.inorgchem.5b00883","","","0.71073","MoKα","","0.0474","0.0355","","","0.0839","0.0896","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343497","14.0835","0.0008","20.4568","0.0008","21.97","0.0011","90","","95.09","0.003","90","","6304.7","0.5","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","Pd(h2-N,O-p-FC6H4NO)(CNArDipp2)2","","","- C74 H84 F N3 O Pd -","- C74 H84 F N3 O Pd -","- C296 H336 F4 N12 O4 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.0716","0.0697","","","0.165","0.1707","","","","","","1.304","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343498","14.2644","0.0008","20.3118","0.0008","22.2729","0.001","90","","96.404","0.003","90","","6413","0.5","90","2","90","","","","","","","","","5","C 1 c 1","C -2yc","9","Pd(h2-N,O-p-Me-C6H4NO)(CNArDipp2)2","","","- C75 H87 N3 O Pd -","- C75 H87 N3 O Pd -","- C300 H348 N12 O4 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.043","0.0367","","","0.0995","0.1254","","","","","","1.208","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343627","11.8958","0.0008","10.9639","0.0007","13.3269","0.0008","90","","91.442","0.002","90","","1737.6","0.19","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Li3.18 Mn1.82 O22 U6 -","- Li3.178 Mn1.822 O22 U6 -","- Li12.712 Mn7.288 O88 U24 -","4","1","","Read, Cory Michael; Morrison, Gregory; Yeon, Jeongho; Smith, Mark D.; Zur Loye, Hans-Conrad","A2MnU3O11 (A = K, Rb) and Li3.2Mn1.8U6O22: Three New Alkali-Metal Manganese Uranium(VI) Oxides Related to Natrotantite.","Inorganic chemistry","2015","54","14","6993","6999","10.1021/acs.inorgchem.5b01004","","","0.71073","MoKα","","0.0573","0.0473","","","0.09","0.0936","","","","","","1.058","","","","has coordinates","152824","2020-10-21","18:00:00",""
"4343861","7.395","","19.417","","16.892","","90","","96.86","","90","","2408.14","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","((N H3)5 Cr (O H) Cr (N H3)4 (O H)) (S2 O6)2 (H2 O)3","","- Cr2 H35 N9 O17 S4 -","- Cr2 H31 N9 O17 S4 -","- Cr8 H124 N36 O68 S16 -","4","1","","Hodgson, D.J.; Pedersen, E.","Structural and Magnetic Characterization of the Chromium(III) Dimer cis-(Hydroxotetraamminechromium(III)-mue-hydroxo-pentaamm nechromium(III)) Dithionate Trihydrate, ((N H3)5 Cr (O H) Cr (N H3)4 (O H)) (S2 O6)2 (H2 O)3","Inorganic Chemistry","1980","19","","3116","3121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343897","12.9903","0.0019","27.035","0.004","14.055","0.002","90","","93.906","0.002","90","","4924.5","1.2","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","13091","","","- C43 H68 Cr2 K N4 O P3 -","- C43 H68 Cr2 K N4 O P3 -","- C172 H272 Cr8 K4 N16 O4 P12 -","4","1","","Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.","Inorganic chemistry","2015","54","15","7579","7592","10.1021/acs.inorgchem.5b01163","","","0.71073","MoKα","","0.0528","0.0422","","","0.0873","0.093","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344002","10.7704","0.0007","20.1471","0.0011","6.4727","0.0003","90","","90.582","0.005","90","","1404.45","0.14","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H9 B5 La2 O15 -","- C4 H9 B5 La2 O15 -","- C16 H36 B20 La8 O60 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","0.71073","MoKα","","0.0652","0.0622","","","0.156","0.1615","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344003","10.7454","0.0007","20.0674","0.0011","6.458","0.0004","90","","90.527","0.006","90","","1392.49","0.15","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H9 B5 Ce2 O15 -","- C4 H9 B5 Ce2 O15 -","- C16 H36 B20 Ce8 O60 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","0.71073","MoKα","","0.0603","0.0573","","","0.1418","0.1449","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344004","10.6897","0.0009","19.9883","0.0016","6.4273","0.0005","90","","90.545","0.008","90","","1373.25","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H9 B5 O15 Pr2 -","- C4 H9 B5 O15 Pr2 -","- C16 H36 B20 O60 Pr8 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","0.71073","MoKα","","0.0748","0.0685","","","0.162","0.1697","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344005","10.9596","0.0007","20.2634","0.0012","6.476","0.0003","90","","90.54","0.006","90","","1438.12","0.14","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 B5 La2 O14 -","- C4 H7 B5 La2 O14 -","- C16 H28 B20 La8 O56 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","0.71073","MoKα","","0.0454","0.0399","","","0.0767","0.0813","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344006","10.951","0.0005","20.2411","0.0009","6.4535","0.0003","90","","90.494","0.004","90","","1430.43","0.11","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 B5 Ce2 O14 -","- C4 H7 B5 Ce2 O14 -","- C16 H28 B20 Ce8 O56 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","1.54178","CuKα","","0.0542","0.0522","","","0.1303","0.1336","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344007","10.9265","0.0006","20.2045","0.0008","6.4365","0.0003","90","","90.528","0.004","90","","1420.89","0.12","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 B5 O14 Pr2 -","- C4 H7 B5 O14 Pr2 -","- C16 H28 B20 O56 Pr8 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","1.54178","CuKα","","0.0482","0.0436","","","0.105","0.1096","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344213","9.248","","23.01","","29.665","","90","","104.589","","90","","6109.07","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","H2 Os3 Re2 (C O)20","","- C20 H2 O20 Os3 Re2 -","- C20 O20 Os3 Re2 -","- C160 O160 Os24 Re16 -","8","2","","Churchill, M.R.; Hollander, F.J.","Structural studies on polynuclear osmium carbonyl hydrides. 7. Crystal structure and molecular geometry of (mue-H)2 Os3 Re2 (C O)20","Inorganic Chemistry","1978","17","","3546","3552","","","","","","","","","","","","","","","","","","","","","","has coordinates","161033","2020-10-21","18:00:00",""
"4344356","12.346","","7.084","","12.378","","90","","110.2","","90","","1015.98","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Ge Cd4 S6","","- Cd4 Ge S6 -","- Cd4 Ge S6 -","- Cd16 Ge4 S24 -","4","1","","Susa, K.; Steinfink, H.","Ge Cd4 S6, a new defect tetrahedral structure type","Inorganic Chemistry","1971","10","","1754","1756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344601","13.622","0.003","29.108","0.006","29.17","0.006","90","","91.74","0.03","90","","11561","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H58 B30 Cl4 Ir N3 -","- C41 H58 B30 Cl4 Ir N3 -","- C328 H464 B240 Cl32 Ir8 N24 -","8","2","","Kim, Yejin; Park, Sunghee; Lee, Young Hoon; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Homoleptic Tris-Cyclometalated Iridium Complexes with Substituted o-Carboranes: Green Phosphorescent Emitters for Highly Efficient Solution-Processed Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","2","909","917","10.1021/acs.inorgchem.5b02444","","","0.62998","synchrotron","","0.0345","0.0303","","","0.0739","0.0764","","","","","","1.024","","","","has coordinates","175523","2020-10-21","18:00:00",""
"4344602","26.0655","0.0005","23.0045","0.0005","13.4263","0.0003","90","","113.347","0.001","90","","7391.5","0.3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H81 B30 Cl9 Ir N3 -","- C54 H81 B30 Cl9 Ir N3 -","- C216 H324 B120 Cl36 Ir4 N12 -","4","1","","Kim, Yejin; Park, Sunghee; Lee, Young Hoon; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Homoleptic Tris-Cyclometalated Iridium Complexes with Substituted o-Carboranes: Green Phosphorescent Emitters for Highly Efficient Solution-Processed Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","2","909","917","10.1021/acs.inorgchem.5b02444","","","0.71073","MoKα","","0.0576","0.0432","","","0.0926","0.102","","","","","","1.068","","","","has coordinates","175523","2020-10-21","18:00:00",""
"4344605","7.5988","0.0002","16.7478","0.0005","12.8198","0.0004","90","","91.209","0.003","90","","1631.13","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Br3 H4 N O16 Pb4 -","- Br3 N O16 Pb4 -","- Br12 N4 O64 Pb16 -","4","1","","Kong, Fang; Hu, Chun-Li; Liang, Ming-Li; Mao, Jiang-Gao","Pb4(OH)4(BrO3)3(NO3): An Example of SHG Crystal in Metal Bromates Containing π-Conjugated Planar Triangle.","Inorganic chemistry","2016","55","2","948","955","10.1021/acs.inorgchem.5b02523","","","0.71073","MoKα","","0.0462","0.0342","","","0.0478","0.0553","","","","","","0.975","","","","has coordinates","175526","2020-10-21","18:00:00",""
"4344668","24.2244","0.001","17.157","0.0011","8.0439","0.0005","90","","108.615","0.004","90","","3168.3","0.3","123","","123","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H38 N2 O13 U -","- C30 H38 N2 O13 U -","- C120 H152 N8 O52 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0337","0.0261","","","0.0563","0.059","","","","","","1.044","","","","has coordinates","175559","2020-10-21","18:00:00",""
"4344731","31.1772","0.001","13.33897","0.00012","17.8988","0.0006","90","","131.633","0.005","90","","5563.5","0.5","104.4","0.14","104.4","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H57 Br4 Fe2 N6 P3 -","- C53 H57 Br4 Fe2 N6 P3 -","- C212 H228 Br16 Fe8 N24 P12 -","4","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","x-ray","1.54184","CuKα","","0.0346","0.0333","","","0.0859","0.0869","","","","","","1.026","","","","has coordinates","175600","2020-10-21","18:00:00",""
"4345076","14.8908","0.0013","13.2377","0.0013","11.587","0.0011","90","","90.039","0.005","90","","2284","0.4","103","2","103","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H27 B Fe N2 O6 -","- C22 H27 B Fe N2 O6 -","- C88 H108 B4 Fe4 N8 O24 -","4","1","","Kong, Lingbing; Lu, Wei; Yongxin, Li; Ganguly, Rakesh; Kinjo, Rei","Formation of Boron-Main-Group Element Bonds by Reactions with a Tricoordinate Organoboron L2PhB: (L = Oxazol-2-ylidene).","Inorganic chemistry","2017","56","10","5586","5593","10.1021/acs.inorgchem.6b02993","","","0.71073","MoKα","","0.0473","0.0412","","","0.0712","0.0739","","","","","","1.006","","","","has coordinates","197403","2020-10-21","18:00:00",""
"4345133","7.6774","0.0009","31.819","0.004","14.1598","0.0016","90","","104.535","0.002","90","","3348.3","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Bi I4 S4 -","- C6 H4 Bi I4 S4 -","- C48 H32 Bi8 I32 S32 -","8","2","","Evans, Hayden A.; Labram, John G.; Smock, Sara R.; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram; Wudl, Fred","Mono- and Mixed-Valence Tetrathiafulvalene Semiconductors (TTF)BiI4 and (TTF)4BiI6 with 1D and 0D Bismuth-Iodide Networks.","Inorganic chemistry","2017","56","1","395","401","10.1021/acs.inorgchem.6b02287","","","0.71073","MoKα","","0.0365","0.0357","","","0.0898","0.0904","","","","","","1.012","","","","has coordinates","191269","2020-10-21","18:00:00",""
"4345223","32.024","0.007","13.347","0.003","24.53","0.005","90","","119.695","0.002","90","","9108","3","298","2","298.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C60 H48 Co2 Mo N12 O48 Si W11 -","- C60 H48 Co2 Mo N12 O48 Si W11 -","- C240 H192 Co8 Mo4 N48 O192 Si4 W44 -","4","1","","Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.","Inorganic chemistry","2017","56","5","2481","2489","10.1021/acs.inorgchem.6b02601","","","0.71073","MoKα","","0.0485","0.0364","","","0.0852","0.092","","","","","","1.024","","","","has coordinates","194797","2020-10-21","18:00:00",""
"4345321","14.1228","0.001","19.8681","0.001","9.6561","0.0005","90","","107.186","0.003","90","","2588.5","0.3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H25 Cl3 Cu2 N4 O6 S -","- C17 H25 Cl3 Cu2 N4 O6 S -","- C68 H100 Cl12 Cu8 N16 O24 S4 -","4","1","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.0394","0.0377","","","0.0887","0.0896","","","","","","1.11","","","","has coordinates,has disorder","194815","2020-10-21","18:00:00",""
"4345325","9.1026","0.0007","21.4679","0.0016","24.8549","0.0018","90","","95.366","0.003","90","","4835.7","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17.5 H25 Cl3 Cu2 N4 O5.5 S -","- C17.5 H25 Cl3 Cu2 N4 O5.5 S -","- C140 H200 Cl24 Cu16 N32 O44 S8 -","8","2","","Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.","New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.","Inorganic chemistry","2017","56","6","3532","3549","10.1021/acs.inorgchem.6b03178","","","0.71073","MoKα","","0.053","0.0392","","","0.0823","0.088","","","","","","1.026","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4345350","18.6775","0.0007","14.4325","0.0005","14.8597","0.0005","90","","98.751","0.001","90","","3959","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H50 B2 F10 Fe2 N8 -","- C36 H50 B2 F10 Fe2 N8 -","- C144 H200 B8 F40 Fe8 N32 -","4","1","","Dammers, Susanne; Zimmermann, Thomas Philipp; Walleck, Stephan; Stammler, Anja; Bögge, Hartmut; Bill, Eckhard; Glaser, Thorsten","A Mixed-Valence Fluorido-Bridged Fe(II)Fe(III) Complex.","Inorganic chemistry","2017","56","4","1779","1782","10.1021/acs.inorgchem.6b03093","","","0.71073","MoKα","","0.0484","0.0478","","","0.1237","0.1244","","","","","","1.126","","","","has coordinates,has disorder","192904","2020-10-21","18:00:00",""
"4345395","23.102","0.008","10.066","0.003","21.172","0.006","90","","109.979","0.013","90","","4627","3","93","2","93","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H64 B Cl4 F4 P2 Rh -","- C46 H64 B Cl4 F4 P2 Rh -","- C184 H256 B4 Cl16 F16 P8 Rh4 -","4","1","","Matsusaka, Yuko; Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of Mono-, Di-, and Trinuclear Rhodium Diphosphine Complexes Containing Light-Harvesting Fluorene Backbones.","Inorganic chemistry","2017","56","3","1027","1030","10.1021/acs.inorgchem.6b02423","","","0.71075","MoKα","","0.0526","0.0459","","","0.1001","0.1046","","","","","","1.042","","","","has coordinates","192953","2020-10-21","18:00:00",""
"4345480","17.669","0.004","10.41","0.002","17.024","0.003","90","","111.44","0.03","90","","2914.6","1.2","110","2","110","","","","","","","","","6","C 1 c 1","C -2yc","9","trichloro[tris(3,5-dimethylpyrazolyl)borato]titanate(III)","","","- C23 H42 B Cl3 N7 Ti -","- C23 H42 B Cl3 N7 Ti -","- C92 H168 B4 Cl12 N28 Ti4 -","4","1","","Brown, Andrew; Saber, Mohamed; Van den Heuvel, Willem; Schulte, Kelsey; Soncini, Alessandro; Dunbar, Kim R.","Titanium(III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands.","Inorganic chemistry","2017","56","3","1031","1035","10.1021/acs.inorgchem.6b02643","","","0.71073","MoKα","","0.0919","0.0652","","","0.1563","0.174","","","","","","0.973","","","","has coordinates","192999","2020-10-21","18:00:00",""
"4345492","12.8023","0.0002","34.8688","0.0006","20.713","0.0004","90","","98.828","0.001","90","","9136.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C82 H62 N2 O26 P4 Pt13 -","- C82 H62 N2 O26 P4 Pt13 -","- C328 H248 N8 O104 P16 Pt52 -","4","1","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0322","0.0273","","","0.0606","0.0625","","","","","","1.019","","","","has coordinates","193006","2020-10-21","18:00:00",""
"4345529","10.7168","0.0005","11.7427","0.0005","8.212","0.0004","90","","97.079","0.004","90","","1025.55","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 N6 O6 Sr3 -","- C6 N6 O6 Sr3 -","- C24 N24 O24 Sr12 -","4","1","","Kalmutzki, Markus Johannes; Dolabdjian, Konstantin; Wichtner, Nadja; Ströbele, Markus; Berthold, Christoph; Meyer, Hans-Jürgen","Formation, Structure, and Frequency-Doubling Effect of a Modification of Strontium Cyanurate (α-SCY).","Inorganic chemistry","2017","56","6","3357","3362","10.1021/acs.inorgchem.6b02893","","","0.71073","MoKα","","0.039","0.0384","","","0.0937","0.0944","","","","","","1.03","","","","has coordinates","194805","2020-10-21","18:00:00",""
"4345650","29.6179","0.001","9.154","0.0003","25.3121","0.0008","90","","120.165","0.0018","90","","5933.3","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H60 Eu N O8 -","- C66 H60 Eu N O8 -","- C264 H240 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","","0.0901","0.045","","","0.0807","0.0966","","","","","","0.982","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4345836","25.26","0.005","10.146","0.002","15.128","0.002","90","","95.317","0.014","90","","3860.4","1.2","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H36 Cl Cu2 Mn N7 O10 -","- C36 H36 Cl Cu2 Mn N7 O10 -","- C144 H144 Cl4 Cu8 Mn4 N28 O40 -","4","1","","Mahapatra, Prithwish; Ghosh, Soumavo; Giri, Sanjib; Rane, Vinayak; Kadam, Ramakant; Drew, Michael G. B.; Ghosh, Ashutosh","Subtle Structural Changes in (Cu(II)L)2Mn(II) Complexes To Induce Heterometallic Cooperative Catalytic Oxidase Activities on Phenolic Substrates (H2L = Salen Type Unsymmetrical Schiff Base).","Inorganic chemistry","2017","56","9","5105","5121","10.1021/acs.inorgchem.7b00253","","","0.71073","MoKα","","0.1305","0.1073","","","0.2307","0.247","","","","","","1.129","","","","has coordinates","195999","2020-10-21","18:00:00",""
"4346143","18.609","0.003","19.892","0.003","8.7676","0.0015","90","","113.047","0.003","90","","2986.5","0.8","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","in manuscript 4aBr","","","- C22 H31 Br2 Cl2 N4 P Ru -","- C25.68 H31 Br2 Cl2 N4 P Ru -","- C102.72 H124 Br8 Cl8 N16 P4 Ru4 -","4","1","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.0569","0.0455","","","0.0864","0.0926","","","","","","1.064","","","","has coordinates","231629","2020-10-21","18:00:00",""
"4346340","24.52","0.01","13.22","0.005","21.745","0.009","90","","96.349","0.004","90","","7006","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21.5 H25 Cu F4.8 N18 O8.5 P0.8 -","- C21.5 H25 Cu F4.8 N18 O8.5 P0.8 -","- C172 H200 Cu8 F38.4 N144 O68 P6.4 -","8","2","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0941","0.0752","","","0.2147","0.2325","","","","","","1.093","","","","has coordinates","231731","2020-10-21","18:00:00",""
"4346359","22.5616","0.0013","15.4537","0.0008","21.8953","0.0013","90","","111.133","0.007","90","","7120.6","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H47 Ag9 I13 N4 -","- C48 H48 Ag9 I13 N4 -","- C192 H192 Ag36 I52 N16 -","4","1","","Qiao, Yanrong; Hao, Pengfei; Fu, Yunlong","Symmetrically Related Construction and Optical Properties of Two Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the N-Benzylpyridinium and Its Supramolecular Interactions.","Inorganic chemistry","2015","54","17","8705","8710","10.1021/acs.inorgchem.5b01331","","","0.71073","MoKα","","0.0519","0.0425","","","0.0993","0.1076","","","","","","1.039","","","","has coordinates","231744","2020-10-21","18:00:00",""
"4346365","16.854","0.003","13.348","0.003","18.538","0.004","90","","96.522","0.002","90","","4143.5","1.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H56 P4 Se8 Th -","- C24 H56 P4 Se8 Th -","- C96 H224 P16 Se32 Th4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0234","0.0209","","","0.0434","0.0441","","","","","","1.034","","","","has coordinates","231746","2020-10-21","18:00:00",""
"4346372","16.7142","0.001","13.2787","0.0008","18.4521","0.0011","90","","96.405","0.001","90","","4069.7","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H56 P4 Se8 U -","- C24 H56 P4 Se8 U -","- C96 H224 P16 Se32 U4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0169","0.016","","","0.034","0.0342","","","","","","1.034","","","","has coordinates","231748","2020-10-21","18:00:00",""
"4346391","16.2261","0.0002","22.9605","0.0002","32.0279","0.0004","90","","102.157","0.001","90","","11664.7","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H48 B F20 P6 Re -","- C54 H48 B F20 P6 Re -","- C432 H384 B8 F160 P48 Re8 -","8","2","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0579","0.0484","","","0.1196","0.1227","","","","","","1.011","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346432","12.9977","0.001","13.782","0.001","16.4446","0.0012","90","","104.851","0.001","90","","2847.4","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C25 H22 Cl F3 Fe N6 O7 S -","- C25 H22 Cl F3 Fe N6 O7 S -","- C100 H88 Cl4 F12 Fe4 N24 O28 S4 -","4","1","","Olivo, Giorgio; Nardi, Martina; Vìdal, Diego; Barbieri, Alessia; Lapi, Andrea; Gómez, Laura; Lanzalunga, Osvaldo; Costas, Miquel; Di Stefano, Stefano","C-H Bond Oxidation Catalyzed by an Imine-Based Iron Complex: A Mechanistic Insight.","Inorganic chemistry","2015","54","21","10141","10152","10.1021/acs.inorgchem.5b01500","","","0.71073","MoKα","","0.0718","0.0685","","","0.1761","0.1814","","","","","","1.039","","","","has coordinates","231771","2020-10-21","18:00:00",""
"4346548","25.8149","0.0017","11.352","0.0006","15.4306","0.0011","90","","122.06","0.002","90","","3832.3","0.4","100","2","100","","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C37 H39 B Cl2 F4 Fe Ni O P2 S2 -","- C37 H39 B Cl2 F4 Fe Ni O P2 S2 -","- C148 H156 B4 Cl8 F16 Fe4 Ni4 O4 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0351","0.0285","","","0.0652","0.068","","","","","","1.021","","","","has coordinates","231833","2020-10-21","18:00:00",""
"4346555","14.0988","0.0008","24.8538","0.0012","14.4105","0.0008","90","","116.435","0.002","90","","4521.6","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","[BMPyr]2S3","Bis(N-butyl-N-methylpyrrolidinium)-triselenide","","- C36 H80 N4 Se6 -","- C36 H80 N4 Se6 -","- C144 H320 N16 Se24 -","4","1","","Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg","Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.","Inorganic chemistry","2015","54","19","9568","9575","10.1021/acs.inorgchem.5b01665","","","0.71073","MoKα","","0.091","0.0616","","","0.1009","0.1114","","","","","","1.145","","","","has coordinates,has disorder","231834","2020-10-21","18:00:00",""
"4346571","27.8478","0.0013","9.861","0.0005","20.2588","0.001","90","","130.012","0.0016","90","","4260.9","0.4","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C48 H44 Cl F3 N6 O3 Pd S -","- C48 H44 Cl F3 N6 O3 Pd S -","- C192 H176 Cl4 F12 N24 O12 Pd4 S4 -","4","1","","Therrien, Jeffrey A.; Wolf, Michael O.; Patrick, Brian O.","Polyannulated Bis(N-heterocyclic carbene)palladium Pincer Complexes for Electrocatalytic CO2 Reduction.","Inorganic chemistry","2015","54","24","11721","11732","10.1021/acs.inorgchem.5b01698","","x-ray","0.71073","MoKα","","0.035","0.0311","","","0.0754","0.0776","","","","","","1.027","","","","has coordinates,has disorder","231852","2020-10-21","18:00:00",""
"4346619","14.7185","0.0007","9.2708","0.0004","17.9821","0.0008","90","","96.803","0.003","90","","2436.42","0.19","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H28 Cl2 N4 O Ti -","- C24 H28 Cl2 N4 O Ti -","- C96 H112 Cl8 N16 O4 Ti4 -","4","1","","Wijeratne, Gayan B.; Zolnhofer, Eva M.; Fortier, Skye; Grant, Lauren N.; Carroll, Patrick J.; Chen, Chun-Hsing; Meyer, Karsten; Krzystek, J.; Ozarowski, Andrew; Jackson, Timothy A.; Mindiola, Daniel J.; Telser, Joshua","Electronic Structure and Reactivity of a Well-Defined Mononuclear Complex of Ti(II).","Inorganic chemistry","2015","54","21","10380","10397","10.1021/acs.inorgchem.5b01796","","","0.71073","MoKα","","0.04","0.0329","","","0.0706","0.0733","","","","","","1.045","","","","has coordinates","231885","2020-10-21","18:00:00",""
"4346753","13.298","0.003","27.696","0.006","21.44","0.005","90","","98.26","0.003","90","","7814","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C82 H66 Cu3 I3 N8 P6 -","- C82 H66 Cu3 I3 N8 P6 -","- C328 H264 Cu12 I12 N32 P24 -","4","1","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","Self-Assembled Cyclophane-Type Copper(I) Complexes of 2,4,6-Tris(diphenylphosphino)-1,3,5-triazine and Their Catalytic Application.","Inorganic chemistry","2015","54","22","10985","10992","10.1021/acs.inorgchem.5b02075","","","0.71073","MoKα","","0.0305","0.0281","","","0.0638","0.0655","","","","","","1.026","","","","has coordinates","231958","2020-10-21","18:00:00",""
"4347055","17.7138","0.0007","10.0954","0.0004","10.2647","0.0004","90","","121.089","0.002","90","","1571.96","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","C 1 c 1","C -2yc","9","","","","- C6 H21 B11 N2 O2 -","- C6 H21 B11 N2 O2 -","- C24 H84 B44 N8 O8 -","4","1","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0397","0.0365","","","0.0936","0.0959","","","","","","1.055","","","","has coordinates","232145","2020-10-21","18:00:00",""
"4347285","9.434","0.007","16.599","0.012","18.562","0.013","90","","97.731","0.013","90","","2880","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H32 N4 O10 S2 Zn -","- C24 H32 N4 O10 S2 Zn -","- C96 H128 N16 O40 S8 Zn4 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0502","0.043","","","0.1044","0.1098","","","","","","0.988","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347442","14.1096","0.0006","20.8624","0.0008","20.7312","0.0008","90","","103.628","0.004","90","","5930.6","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","[K(222)][Mn(TPP)(CN)]","","","- C63 H64 K Mn N7 O6 -","- C63 H64 K Mn N7 O6 -","- C252 H256 K4 Mn4 N28 O24 -","4","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.0501","0.0402","","","0.0768","0.0811","","","","","","1.05","","","","has coordinates","232319","2020-10-21","18:00:00",""
"4347459","21.6652","0.0015","6.8368","0.0004","11.2541","0.0007","90","","106.743","0.003","90","","1596.3","0.18","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H23 Ag N3 O4 P -","- C13 H23 Ag N3 O4 P -","- C52 H92 Ag4 N12 O16 P4 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Florek, Magdalena; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven by Substituted Glutarate and Malonate Building Blocks: Self-Assembly Synthesis, Structural Features, and Antimicrobial Properties.","Inorganic chemistry","2016","55","12","5886","5894","10.1021/acs.inorgchem.6b00186","","","0.71073","MoKα","","0.0205","0.0203","","","0.0535","0.0537","","","","","","0.806","","","","has coordinates","232328","2020-10-21","18:00:00",""
"4347640","17.425","0.004","10.684","0.002","15.272","0.003","90","","96.54","0.03","90","","2824.7","1","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H31 Cl2 N5 Ni O10 -","- C25 H31 Cl2 N5 Ni O10 -","- C100 H124 Cl8 N20 Ni4 O40 -","4","1","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0273","0.0257","","","0.0628","0.0637","","","","","","1.008","","","","has coordinates","232414","2020-10-21","18:00:00",""
"4347748","11.351","0.0002","17.596","0.0004","8.701","0.0002","90","","115.431","0.0013","90","","1569.48","0.06","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C3 H18 Cl La N O13 P3 -","- C3 H18 Cl La N O13 P3 -","- C12 H72 Cl4 La4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","","","0.71073","MoKα","","0.0219","0.0207","","","0.0453","0.0458","","","","","","1.086","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347750","11.2998","0.0008","17.7086","0.0012","8.6894","0.0006","90","","115.83","0.002","90","","1565.06","0.19","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C3 H18 Cl N O13 P3 Pr -","- C3 H14 Cl N O13 P3 Pr -","- C12 H56 Cl4 N4 O52 P12 Pr4 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","","","1.54178","CuKα","","0.0596","0.0594","","","0.1593","0.1596","","","","","","1.098","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347751","11.21377","0.00032","17.64156","0.0003","8.60123","0.00032","90","","115.41","0.0022","90","","1536.96","0.08","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl N O13 P3 Sm -","- C3 Cl N O13 P3 Sm -","- C12 Cl4 N4 O52 P12 Sm4 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.17854","","2.02","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347752","11.17342","0.00021","17.6294","0.0004","8.56995","0.0002","90","","115.416","0.0015","90","","1524.73","0.06","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl Gd N O13 P3 -","- C3 Cl Gd N O13 P3 -","- C12 Cl4 Gd4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.09988","","1.79","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347753","11.14639","0.00021","17.63006","0.00021","8.5503","0.00019","90","","115.44","0.0013","90","","1517.3","0.05","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl N O13 P3 Tb -","- C3 Cl N O13 P3 Tb -","- C12 Cl4 N4 O52 P12 Tb4 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.12584","","1.79","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347754","11.12049","0.00026","17.6102","0.0004","8.53243","0.00014","90","","115.4","0.0011","90","","1509.42","0.06","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl Dy N O13 P3 -","- C3 Cl Dy N O13 P3 -","- C12 Cl4 Dy4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.17779","","1.78","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347755","11.06","0.0006","17.416","0.0008","8.4728","0.0004","90","","115.157","0.001","90","","1477.23","0.13","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C3 H18 Cl Ho N O13 P3 -","- C3 H18 Cl Ho N O13 P3 -","- C12 H72 Cl4 Ho4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","","","0.71073","MoKα","","0.014","0.014","","","0.0397","0.0397","","","","","","1.159","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347756","11.19274","0.00028","17.6396","0.0004","8.58663","0.00027","90","","115.452","0.0015","90","","1530.77","0.07","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl Eu N O13 P3 -","- C3 Cl Eu N O13 P3 -","- C12 Cl4 Eu4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.06714","","1.47","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4348069","9.733","0.01","22.323","0.007","15.631","0.007","90","","93.89","0.06","90","","3388","4","100","2","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H40 Ag2 B2 F8 N6 O2 -","- C28 H36 Ag2 B2 F8 N6 O2.0001 -","- C112 H144 Ag8 B8 F32 N24 O8.0004 -","4","1","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7108","Synchrotron","","0.1079","0.079","","","0.2078","0.231","","","","","","1.045","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348404","16.951","0.002","20.589","0.003","25.375","0.004","90","","96.243","0.002","90","","8803","2","130","2","130","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H75 N O5 S14 Zn8 -","- C84 H75 N O5 S14 Zn8 -","- C336 H300 N4 O20 S56 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.0744","0.0694","","","0.1661","0.1694","","","","","","1.026","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348533","12.7773","0.0003","27.6187","0.0006","20.1236","0.0004","90","","100.41","0.001","90","","6984.6","0.3","115","","115","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69 H68 Au3 Cl9 Fe P4 -","- C69 H68 Au3 Cl9 Fe P4 -","- C276 H272 Au12 Cl36 Fe4 P16 -","4","1","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0278","0.0264","","","0.065","0.0666","","","","","","1.048","","","","has coordinates","233062","2020-10-21","18:00:00",""
"4348682","17.799","0.003","10.7709","0.0015","16.151","0.002","90","","105.043","0.003","90","","2990.2","0.8","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","Methylpyridinium Bis(phenylthiophenedithiolato)nickelate","N-Methylpyridinium Bis(5-phenyl-2,3-thiophenedithiolato)nickelate(III)","","- C29 H27 N2 Ni O S6 -","- C29 H27 N2 Ni O S6 -","- C116 H108 N8 Ni4 O4 S24 -","4","1","","Amb, Chad M.; Heth, Christopher L.; Evenson, Sean J.; Pokhodnya, Konstantin I.; Rasmussen, Seth C.","Thiophene-Fused Nickel Dithiolenes: A Synthetic Scaffold for Highly Delocalized π-Electron Systems.","Inorganic chemistry","2016","55","21","10978","10989","10.1021/acs.inorgchem.6b01513","","","0.71073","MoKα","","0.0863","0.0487","","","0.1291","0.1519","","","","","","1.038","","","","has coordinates","233265","2020-10-21","18:00:00",""
"4348689","15.0037","0.0008","35.8043","0.0019","18.2681","0.001","90","","110.125","0.001","90","","9214.4","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H26 Cd N4 O4 -","- C36 H26 Cd N4 O4 -","- C432 H312 Cd12 N48 O48 -","12","3","","Wang, Zhong-Jie; Qin, Ling; Chen, Jin-Xi; Zheng, He-Gen","H-Bonding Interactions Induced Two Isostructural Cd(II) Metal-Organic Frameworks Showing Different Selective Detection of Nitroaromatic Explosives.","Inorganic chemistry","2016","55","21","10999","11005","10.1021/acs.inorgchem.6b01521","","","0.71073","MoKα","","0.0395","0.0351","","","0.0891","0.0915","","","","","","1.023","","","","has coordinates","233276","2020-10-21","18:00:00",""
"4348690","14.8912","0.0008","35.3496","0.0018","18.1589","0.0009","90","","107.305","0.001","90","","9126.1","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H25 Cd N3 O5 -","- C36 H25 Cd N3 O5 -","- C432 H300 Cd12 N36 O60 -","12","3","","Wang, Zhong-Jie; Qin, Ling; Chen, Jin-Xi; Zheng, He-Gen","H-Bonding Interactions Induced Two Isostructural Cd(II) Metal-Organic Frameworks Showing Different Selective Detection of Nitroaromatic Explosives.","Inorganic chemistry","2016","55","21","10999","11005","10.1021/acs.inorgchem.6b01521","","","0.71073","MoKα","","0.0277","0.0256","","","0.0617","0.0627","","","","","","1.052","","","","has coordinates","233276","2020-10-21","18:00:00",""
"4348870","8.945","0.003","14.936","0.005","12.408","0.005","90","","108.531","0.008","90","","1571.8","1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H13 Cl2 Fe2 N O12 -","- C5 H13 Cl2 Fe2 N O12 -","- C20 H52 Cl8 Fe8 N4 O48 -","4","1","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0572","0.0556","","","0.1557","0.157","","","","","","1.075","","","","has coordinates","233447","2020-10-21","18:00:00",""
"4348917","11.8838","0.0014","22.193","0.002","15.4836","0.0018","90","","112.57","","90","","3770.8","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C88 H96 B2 N2 O4 Pt2 -","- C88 H96 B2 N O4 Pt2 -","- C176 H192 B4 N2 O8 Pt4 -","2","0.5","","Rajendra Kumar, George; Thilagar, Pakkirisamy","Tuning the Phosphorescence and Solid State Luminescence of Triarylborane-Functionalized Acetylacetonato Platinum Complexes.","Inorganic chemistry","2016","55","23","12220","12229","10.1021/acs.inorgchem.6b01827","","","0.71073","MoKα","","0.1149","0.0559","","","0.095","0.1103","","","","","","0.989","","","","has coordinates","233489","2020-10-21","18:00:00",""
"4348923","11.901","0.005","22.056","0.009","15.274","0.006","90","","111.977","0.011","90","","3718","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H46 B N O2 Pt S -","- C42 H46 B N O2 Pt S -","- C168 H184 B4 N4 O8 Pt4 S4 -","4","1","","Rajendra Kumar, George; Thilagar, Pakkirisamy","Tuning the Phosphorescence and Solid State Luminescence of Triarylborane-Functionalized Acetylacetonato Platinum Complexes.","Inorganic chemistry","2016","55","23","12220","12229","10.1021/acs.inorgchem.6b01827","","","0.71073","MoKα","","0.0648","0.0396","","","0.0941","0.1119","","","","","","1.121","","","","has coordinates","233491","2020-10-21","18:00:00",""
"4348933","23.2643","0.0001","24.3295","0.0001","14.6588","0.0001","90","","90.9","","90","","8295.99","0.08","85","2","85","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C68.5 H79 Dy K Mn4 N9 O33 -","- C68.5 H76 Dy K Mn4 N9 O33 -","- C274 H304 Dy4 K4 Mn16 N36 O132 -","4","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","1.54184","CuKα","","0.0367","0.0352","","","0.0969","0.0988","","","","","","1.045","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348934","23.492","0.005","24.27","0.005","14.322","0.003","90","","91.621","0.004","90","","8162","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C71 H78 Dy Mn4 N9 Na O32 -","- C71 H78 Dy Mn4 N9 Na O32 -","- C284 H312 Dy4 Mn16 N36 Na4 O128 -","4","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","0.71073","MoKα","","0.0751","0.0573","","","0.1408","0.1492","","","","","","1.03","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348969","15.4368","0.0013","18.1268","0.0007","13.4833","0.0008","90","","119.572","0.008","90","","3281.4","0.4","80","2","80","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H30 Cl3 Eu N8 O6 -","- C28 H30 Cl3 Eu N8 O6 -","- C112 H120 Cl12 Eu4 N32 O24 -","4","1","","Shu, Yu-Bo; Liu, Wei-Sheng","A bis(1H-pyridin-2-one)salen Eu(iii) complex for vapoluminescence sensing","Inorganic Chemistry Frontiers","2015","2","10","927","","10.1039/C5QI00134J","","","1.54178","CuKα","","0.0672","0.0601","","","0.1379","0.1437","","","","","","1.022","","","","has coordinates","233517","2020-10-21","18:00:00",""
"4349027","19.978","0.002","29.28","0.004","18.961","0.002","90","","118.716","0.002","90","","9727.2","1.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H48 Ag4 B48 Cl44 N8 -","- C20 H48 Ag4 B48 Cl44 N8 -","- C80 H192 Ag16 B192 Cl176 N32 -","4","1","","Saleh, Mahmoud; Powell, Douglas R.; Wehmschulte, Rudolf J.","Chlorination of 1-Carba-closo-dodecaborate and 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2016","55","20","10617","10627","10.1021/acs.inorgchem.6b01867","","","0.71073","MoKα","","0.0302","0.0258","","","0.0607","0.0634","","","","","","0.984","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349166","18.8064","0.001","18.7873","0.001","22.3898","0.0012","90","","102.726","0.003","90","","7716.5","0.7","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H22 Br2 F12 N6 P2 Ru -","- C34 H22 Br2 F12 N6 P2 Ru -","- C272 H176 Br16 F96 N48 P16 Ru8 -","8","2","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.057","0.0503","","","0.1204","0.1232","","","","","","1.037","","","","has coordinates","233645","2020-10-21","18:00:00",""
"4349248","9.0391","0.0005","56.828","0.003","13.9215","0.0007","90","","108.905","0.003","90","","6765.4","0.6","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C79 H63 Bi N8 P4 -","- C79 H63 Bi N8 P4 -","- C316 H252 Bi4 N32 P16 -","4","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.078","0.0506","","","0.0734","0.0838","","","","","","0.935","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349254","14.0455","0.0011","18.5907","0.0011","12.5395","0.0007","90","","118.838","0.003","90","","2868.2","0.3","250","2","250","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H18 F6 N4 O4 Ru -","- C32 H18 F6 N4 O4 Ru -","- C128 H72 F24 N16 O16 Ru4 -","4","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Manipulating the Rate-Limiting Step in Water Oxidation Catalysis by Ruthenium Bipyridine-Dicarboxylate Complexes.","Inorganic chemistry","2016","55","22","12024","12035","10.1021/acs.inorgchem.6b02193","","","0.71073","MoKα","","0.1308","0.062","","","0.1011","0.1153","","","","","","0.973","","","","has coordinates","233769","2020-10-21","18:00:00",""
"4349255","15.576","0.002","9.2765","0.0014","14.088","0.003","90","","117.847","0.002","90","","1799.9","0.5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Br Cd N3 S3 -","- C16 H12 Br Cd N3 S3 -","- C64 H48 Br4 Cd4 N12 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.048","0.0313","","","0.0582","0.0633","","","","","","0.958","","","","has coordinates,has disorder","233770","2020-10-21","18:00:00",""
"4349256","15.9718","0.0015","9.0439","0.0008","14.831","0.002","90","","120.205","0.0012","90","","1851.4","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H13 Cd N3 O2 S3 -","- C17 H13 Cd N3 O2 S3 -","- C68 H52 Cd4 N12 O8 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0674","0.041","","","0.1046","0.1201","","","","","","1.041","","","","has coordinates,has disorder","233772","2020-10-21","18:00:00",""
"4349260","15.429","0.003","9.262","0.0018","14.154","0.003","90","","117.813","0.004","90","","1789","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Cd Cl N3 S3 -","- C16 H12 Cd Cl N3 S3 -","- C64 H48 Cd4 Cl4 N12 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0403","0.0307","","","0.0699","0.0757","","","","","","0.866","","","","has coordinates,has disorder","233778","2020-10-21","18:00:00",""
"4349365","16.2471","0.001","21.4146","0.0013","10.2694","0.0006","90","","104.662","0.001","90","","3456.6","0.4","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C26 H39 Cl F6 O7 Os P2 S2 -","- C26 H39 Cl F6 O7 Os P2 S2 -","- C104 H156 Cl4 F24 O28 Os4 P8 S8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","mer, fac, and Bidentate Coordination of an Alkyl-POP Ligand in the Chemistry of Nonclassical Osmium Hydrides.","Inorganic chemistry","2017","56","1","676","683","10.1021/acs.inorgchem.6b02837","","","0.71073","MoKα","","0.032","0.0277","","","0.0536","0.0555","","","","","","1.022","","","","has coordinates","233900","2020-10-21","18:00:00",""
"4349455","12.8027","0.0009","24.6644","0.0018","17.9274","0.0013","90","","105.769","0.002","90","","5447.9","0.7","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","{(PNP)Ni}2(CO3)","","","- C53 H80 N2 Ni2 O3 P4 -","- C53 H80 N2 Ni2 O3 P4 -","- C212 H320 N8 Ni8 O12 P16 -","4","1","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.1087","0.0824","","","0.1897","0.2084","","","","","","1.179","","","","has coordinates,has disorder","234787","2020-10-21","18:00:00",""
"4349754","11.916","0.006","11.884","0.006","19.902","0.015","90","","98.552","0.013","90","","2787","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H24 Cl2 Fe N10 O9 -","- C24 H22 Cl2 Fe N10 O9 -","- C96 H88 Cl8 Fe4 N40 O36 -","4","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.7749","synchrotron","","0.1474","0.138","","","0.3254","0.3337","","","","","","1.015","","","","has coordinates","235796","2020-10-21","18:00:00",""
"4349762","24.4325","0.0006","10.159","0.0002","24.4872","0.0006","90","","92.014","0.002","90","","6074.2","0.2","180","0.1","180","0.1","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C54 H5 Co D18 F26 N4 O11 P3 Yb -","- C54 H5 Co D18 F26 N4 O11 P3 Yb -","- C216 H20 Co4 D72 F104 N16 O44 P12 Yb4 -","4","1","","Hu, Ji-Yun; Wu, Zhuo-Yan; Chai, Ke; Yang, Zi-Shu; Meng, Yin-Shan; Ning, Yingying; Zhang, Jing; Zhang, Jun-Long","β-Fluorinated porpholactones and metal complexes: synthesis, characterization and some spectroscopic studies","Inorganic Chemistry Frontiers","2017","4","9","1539","","10.1039/C7QI00375G","","x-ray","0.71073","MoKα","","0.0537","0.0397","","","0.0914","0.1013","","","","","","1.061","","","","has coordinates","235804","2020-10-21","18:00:00",""
"4349927","25.474","0.003","23.533","0.003","18.769","0.002","90","","125.827","0.005","90","","9122.7","1.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C78 H100 Cd5 N16 O38 -","- C78 H100 Cd5 N16 O38 -","- C312 H400 Cd20 N64 O152 -","4","1","","Gaur, Ruchi","Selective anionic dye adsorption, topology and luminescence study of structurally diverse cadmium(ii) coordination polymers","Inorganic Chemistry Frontiers","2019","6","1","278","","10.1039/C8QI01039K","","","0.71073","MoKα","","0.0486","0.0401","","","0.0869","0.0904","","","","","","1.016","","","","has coordinates","236954","2020-10-21","18:00:00",""
"4350016","18.739","0.016","19.326","0.016","14.495","0.012","90","","109.52","0.01","90","","4948","7","296","2","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B20 Cs12 O40 Zn4 -","- B20 Cs12 O40 Zn4 -","- B80 Cs48 O160 Zn16 -","4","1","","Baiheti, Tuohetijiang; Han, Shujuan; Tudi, AbuduKadi; Yang, Zhihua; Yu, H. H.; Pan, Shilie","From centrosymmetric to noncentrosymmetric: cation-directed structural evolution in X3ZnB5O10 (X = Na, K, Rb) and Cs12Zn4(B5O10)4 crystals","Inorganic Chemistry Frontiers","2019","6","6","1461","","10.1039/C9QI00285E","","","0.71073","MoKα","","0.0796","0.0537","","","0.0941","0.1068","","","","","","1.018","","","","has coordinates","237944","2020-10-21","18:00:00",""
"4350168","16.8603","0.0019","15.6965","0.0018","15.2546","0.0017","90","","112.062","0.002","90","","3741.5","0.7","80","2","80","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H24 Co N6 O13 -","- C35 H24 Co N6 O13 -","- C140 H96 Co4 N24 O52 -","4","1","","Takaoka, Kanji; Kawano, Masaki; Hozumi, Toshiya; Ohkoshi, Shin-Ichi; Fujita, Makoto","2D hydrogen-bonded square-grid coordination networks with a substitution-active metal site.","Inorganic chemistry","2006","45","10","3976","3982","10.1021/ic052138u","","","0.71073","MoKα","","0.0763","0.0722","","","0.2029","0.2056","","","","","","1.086","","","","has coordinates","239768","2020-10-21","18:00:00",""
"4350201","15.74","0.003","21.911","0.004","22.556","0.004","90","","97.912","0.002","90","","7705","2","223.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C75 H122 N Na O9 Ru2 -","- C75 H122 N Na O9 Ru2 -","- C300 H488 N4 Na4 O36 Ru8 -","4","1","","Mochizuki, Katsunori; Kawamura, Takashi; Chang, Ho-Chol; Kitagawa, Susumu","Structural and spectroscopic characterization of a diruthenium o-dioxolene complex possessing a singly occupied molecular orbital delocalized over the entire molecule, [Ru2(3,6-DTBDiox)4]-.","Inorganic chemistry","2006","45","10","3990","3997","10.1021/ic052180p","","","0.7107","MoKα","","","0.0315","","","","0.04","","","","","","0.943","","","","has coordinates","239780","2020-10-21","18:00:00",""
"4350331","18.442","0.0011","13.337","0.0009","13.5691","0.0014","90","","99.243","0.006","90","","3294.1","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","""18,19-Dihydro-8,8-bis(1,4-dioxa-8-azaspiro[4,5]decane)-1-yl- 6(lambda)**5,8(lambda)**5,10(lambda)**5-6,10-nit-rilo-16H,21H- [1,3,5,7,2,4,6]tetrazatriphosphonino[2,1-b:6,7-b']bis[1,3,2]benzoxaza- phosphorine "" by ""Selen Bilge, Þemsay Demiriz, Aytuð Okumuþ, Zeynel Kýlýç, Barýþ Tercan, Tuncer Hökelek, Orhan Büyükgüngör""","","- C30 H40 N7 O6 P3 -","- C30 H40 N7 O6 P3 -","- C120 H160 N28 O24 P12 -","4","1","","Bilge, Selen; Demiriz, Semsay; Okumus, Aytug; Kiliç, Zeynel; Tercan, Baris; Hökelek, Tuncer; Büyükgüngör, Orhan","Phosphorus-nitrogen compounds. Part 13. Syntheses, crystal structures, spectroscopic, stereogenic, and anisochronic properties of novel spiro-ansa-spiro-, spiro-bino-spiro-, and spiro-crypta phosphazene derivatives.","Inorganic chemistry","2006","45","21","8755","8767","10.1021/ic060630n","","","1.54184","CuKα","","0.0684","0.0592","","","0.1394","0.1469","","","","","","1.119","","","","has coordinates","239841","2020-10-21","18:00:00",""
"4350556","17.434","0.003","12.791","0.002","13.284","0.002","90","","93.2","0.004","90","","2957.7","0.8","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","(SIPr)Cu(OEt)","","","- C29 H43 Cu N2 O -","- C29 H43 Cu N2 O -","- C116 H172 Cu4 N8 O4 -","4","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Pierpont, Aaron W.; Petersen, Jeffrey L.; Boyle, Paul D.","Chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands: reactivity consistent with both early and late transition metal systems.","Inorganic chemistry","2006","45","22","9032","9045","10.1021/ic0611995","","","0.71073","MoKα","","0.1676","0.0649","","","0.1311","0.1632","","","","","","0.924","","","","has coordinates","239941","2020-10-21","18:00:00",""
"4350743","7.533","0.01","19.4","0.02","6.753","0.009","90","","93.47","0.02","90","","985","2","233","2","233","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","1","","Zhang, Yi; Ye, Heng-Yun; Zhang, Wen; Xiong, Ren-Gen","Room-temperature ABX3-typed molecular ferroelectric: [C5H9‒NH3][CdCl3]","Inorganic Chemistry Frontiers","2014","1","1","118","","10.1039/c3qi00058c","","","0.71073","MoKα","","0.0342","0.0294","","","0.0728","0.0964","","","","","","1.128","","","","has coordinates","244421","2020-10-21","18:00:00",""
"4500054","28.665","0.006","15.857","0.003","7.3927","0.0015","90","","91.81","0.03","90","","3358.6","1.2","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C44 H36 B N O4 -","- C44 H36 B N O4 -","- C176 H144 B4 N4 O16 -","4","1","","Tao Tu; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)","Cryst. Growth & Design","2008","8","","1541","1546","10.1021/cg7008013","","","1.54178","CuKα","","0.0489","0.048","","","0.1147","0.115","","","","","","1.043","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500102","22.2229","0.0011","16.1021","0.0008","26.9252","0.0014","90","","90.062","0.001","90","","9634.8","0.8","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C94 H80 N2 S15 Zn8 -","- C94 H80 N2 S15 Zn8 -","- C376 H320 N8 S60 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.0654","0.0543","","","0.1367","0.1455","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500103","20.663","0.003","16.514","0.002","31.871","0.004","90","","106.104","0.002","90","","10449","2","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C106 H88 N2 S17 Zn8 -","- C106 H88 N2 S17 Zn8 -","- C424 H352 N8 S68 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.0949","0.0832","","","0.1741","0.1804","","","","","","1.178","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500575","13.488","0.006","24.834","0.013","8.409","0.004","90","","98.917","0.008","90","","2783","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O6 Zn -","- C31 H27 N3 O6 Zn -","- C124 H108 N12 O24 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.0699","0.0577","","","0.1155","0.1257","","","","","","1.015","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500576","13.187","0.008","24.889","0.018","8.666","0.005","90","","102.644","0.011","90","","2775","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H26 N2 O5 Zn -","- C31 H26 N2 O5 Zn -","- C124 H104 N8 O20 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.1055","0.0684","","","0.1595","0.2231","","","","","","1.065","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500577","12.934","0.005","24.97","0.003","8.715","0.004","90","","103.834","0.005","90","","2733","1.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H23 N3 O4 Zn -","- C30 H23 N3 O4 Zn -","- C120 H92 N12 O16 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.1697","0.0797","","","0.154","0.1942","","","","","","0.972","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500578","13.507","0.004","24.837","0.01","8.406","0.003","90","","98.841","0.005","90","","2786.5","1.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O5 Zn -","- C31 H27 N3 O5 Zn -","- C124 H108 N12 O20 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.0828","0.0584","","","0.1438","0.2191","","","","","","1.198","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500779","52.27","0.03","5.618","0.003","8.091","0.004","90","","94.773","0.006","90","","2368","2","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H24 O6 Zn -","- C29 H24 O6 Zn -","- C116 H96 O24 Zn4 -","4","1","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.6889","synchrotron","","0.096","0.0608","","","0.115","0.1312","","","","","","1.054","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500877","14.644","0.003","13.655","0.003","17.683","0.004","90","","111.63","0.03","90","","3287","1.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H25 Cd3 N Na2 O22 -","- C29 H25 Cd3 N Na2 O22 -","- C116 H100 Cd12 N4 Na8 O88 -","4","1","","Fu, Ying; Su, Jie; Zou, Zhibo; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua","Syntheses, Structures, and Gas Adsorption Properties of Two Novel Cadmium‒Sodium Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","8","3529","","10.1021/cg200443p","","","0.71073","MoKα","","0.043","0.0425","","","0.1616","0.1619","","","","","","1.005","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500930","13.387","0.0014","32.4616","0.0016","10.381","0.002","90","0.002","118.94","0.002","90","0.002","3947.9","0.9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H31 Ag2 N15 O13 -","- C35 H31 Ag2 N15 O13 -","- C140 H124 Ag8 N60 O52 -","4","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0277","0.0275","","","0.0701","0.0703","","","","","","0.979","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500962","16.4902","0.0018","15.8412","0.0017","6.7903","0.0007","90","","111.642","0.001","90","","1648.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H8 Cl2 F4 Hg2 O2 -","- C14 H8 Cl2 F4 Hg2 O2 -","- C56 H32 Cl8 F16 Hg8 O8 -","4","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0291","0.0261","","","0.0558","0.0571","","","","","","1.026","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4501056","22.249","0.002","11.9035","0.0011","15.5067","0.0013","90","","112.327","0.005","90","","3798.9","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H31 N10 O21 S2 -","- C29 H31 N10 O21 S2 -","- C116 H124 N40 O84 S8 -","4","1","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1015","0.0605","","","0.1432","0.1578","","","","","","0.998","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501066","10.6595","0.0014","8.8","0.004","14.2786","0.0008","90","","96.352","0.01","90","","1331.2","0.6","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2amino-3-hydroxylpyridinium picrate","","- C11 H9 N5 O8 -","- C11 H9 N5 O8 -","- C44 H36 N20 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0516","0.0408","","","0.1046","0.1077","","","","","","0.941","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501677","9.3556","0.0011","30.024","0.003","13.4635","0.0015","90","","104.955","0.002","90","","3653.7","0.7","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C33 H39 O22 -","- C33 H39 O22 -","- C132 H156 O88 -","4","1","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.0616","0.0472","","","0.1181","0.1288","","","","","","1.008","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501679","24.977","0.002","9.1454","0.0009","19.3903","0.0019","90","","129.253","0.001","90","","3429.8","0.6","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H40 O21 -","- C32 H40 O21 -","- C128 H160 O84 -","4","1","","Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini","Polymorphism in Isomeric Dihydroxybenzoic Acids","Crystal Growth & Design","2010","10","5","2388","","10.1021/cg100220z","","","0.71073","MoKα","","0.0552","0.0456","","","0.106","0.1119","","","","","","1.071","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501692","25.7321","0.0003","14.3518","0.0002","15.2832","0.0002","90","","104.478","0.0005","90","","5464.88","0.12","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 F2 N2 O2 -","- C12 H8 F2 N2 O2 -","- C240 H160 F40 N40 O40 -","20","5","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.0698","0.0488","","","0.1136","0.1261","","","","","","1.033","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501820","18.9697","0.0004","26.6758","0.0009","10.5487","0.0003","90","","103.455","0.002","90","","5191.5","0.3","173","2","173","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C46 H67 F4 I2 N9 O4 -","- C46 H67 F4 I2 N9 O4 -","- C184 H268 F16 I8 N36 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Modulation of N···I and+N−H···Cl−···I Halogen Bonding: Folding, Inclusion, and Self-Assembly of Tri- and Tetraamino Piperazine Cyclophanes","Crystal Growth & Design","2010","10","8","3638","","10.1021/cg100516t","","x-ray","0.71073","MoKα","","0.0281","0.026","","","0.0496","0.0506","","","","","","1.093","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4502047","16.951","0.0003","20.6689","0.0004","14.9251","0.0003","90","","102.671","0.0009","90","","5101.78","0.17","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H34 Ce N13 O16 -","- C42 H34 Ce N13 O16 -","- C168 H136 Ce4 N52 O64 -","4","1","","Lipstman, Sophia; Goldberg, Israel","Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering","Crystal Growth & Design","2010","10","10","4596","","10.1021/cg1008973","","","0.71073","MoKα","","0.0883","0.065","","","0.1612","0.1722","","","","","","0.969","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502145","17.689","0.002","17.533","0.007","36.843","0.011","90","","90.182","0.017","90","","11426","6","298","","","","","","","","","","","6","C 1 c 1","C -2yc","9","Amlodipine besylate monohydrate","","","- C26 H33 Cl N2 O9 S -","- C26 Cl N2 O9 S -","- C416 Cl16 N32 O144 S16 -","16","4","","Koradia, Vishal; Lopez de Diego, Heidi; Frydenvang, Karla; Ringkjøbing-Elema, Michiel; Müllertz, Anette; Bond, Andrew D.; Rantanen, Jukka","Solid Forms of Amlodipine Besylate: Physicochemical, Structural, and Thermodynamic Characterization","Crystal Growth & Design","2010","10","12","5279","","10.1021/cg101127z","","","","","","","","","","","","","","","","","","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502199","28.837","0.006","18.719","0.004","17.162","0.003","90","","118.1","0.03","90","","8172","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H70 Cd2 Fe2 N14 O17 -","- C84 H70 Cd2 Fe2 N14 O17 -","- C336 H280 Cd8 Fe8 N56 O68 -","4","1","","Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting","Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate","Crystal Growth & Design","2010","10","6","2490","","10.1021/cg900566v","","","0.71073","MoKα","","0.0654","0.0526","","","0.1082","0.1158","","","","","","1.102","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502230","14.141","0.004","14.517","0.003","13.029","0.003","90","","99.737","0.004","90","","2636.1","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H30 Cd N2 O13 -","- C22 H24 Cd N2 O13 -","- C88 H96 Cd4 N8 O52 -","4","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0433","0.0413","","","0.1153","0.1173","","","","","","1.059","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502233","27.07","0.04","6.347","0.002","25.67","0.03","90","","107.93","0.003","90","","4196","8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H25 Cd Li N2 O14 S2 -","- C34 H25 Cd Li N2 O14 S2 -","- C136 H100 Cd4 Li4 N8 O56 S8 -","4","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0746","0.0632","","","0.1721","0.1883","","","","","","1.065","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502414","19.713","0.002","7.4085","0.0004","16.2048","0.0015","90","","128.216","0.016","90","","1859.4","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","‘Aluminium-Borate’","","","- C6 H21 Al B6 N2 O13 -","- C6 H21 Al B6 N2 O13 -","- C24 H84 Al4 B24 N8 O52 -","4","1","","Paul, Avijit Kumar; Natarajan, Srinivasan","Amine-Templated Aluminoborates Exhibiting Graphite and Diamond Nets","Crystal Growth & Design","2010","10","2","765","","10.1021/cg901161z","","","0.71073","MoKα","","0.0952","0.0553","","","0.1091","0.1192","","","","","","0.915","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502449","20.351","0.004","7.3805","0.0016","18.116","0.004","90","","98.893","0.004","90","","2688.3","1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H30 N4 Ni O4 -","- C28 H30 N4 Ni O4 -","- C112 H120 N16 Ni4 O16 -","4","1","","He, Haiyan; Collins, David; Dai, Fangna; Zhao, Xiaoliang; Zhang, Guoqing; Ma, Huiqing; Sun, Daofeng","Construction of Metal−Organic Frameworks with 1D Chain, 2D Grid, and 3D Porous Framework Based on a Flexible Imidazole Ligand and Rigid Benzenedicarboxylates","Crystal Growth & Design","2010","10","2","895","","10.1021/cg901227h","","","0.71073","MoKα","","0.1182","0.0659","","","0.1345","0.1586","","","","","","1.025","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502670","16.9127","0.0002","20.7331","0.0003","14.8833","0.0002","90","","102.169","0.0007","90","","5101.6","0.12","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H38 Cl2 La N13 O16 -","- C48 H38 Cl2 La N13 O16 -","- C192 H152 Cl8 La4 N52 O64 -","4","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.0537","0.0474","","","0.1212","0.1256","","","","","","1.042","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502673","18.328","0.004","13.624","0.003","20.406","0.004","90","","96.377","0.003","90","","5063.9","1.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H50 Mo7 N10 O32 Zn -","- C25 H25 Mo7 N10 O32 Zn -","- C100 H100 Mo28 N40 O128 Zn4 -","4","1","","Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K.","Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry","Crystal Growth & Design","2010","10","10","4272","","10.1021/cg901507z","","","0.71073","MoKα","","0.019","0.0188","","","0.0494","0.0495","","","","","","1.096","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502674","18.175","0.0008","13.5872","0.0008","20.3409","0.001","90","","96.482","0.001","90","","4991","0.4","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H50 Co Mo7 N10 O32 -","- C25 H26 Co Mo7 N10 O32 -","- C100 H104 Co4 Mo28 N40 O128 -","4","1","","Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K.","Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry","Crystal Growth & Design","2010","10","10","4272","","10.1021/cg901507z","","","0.71073","MoKα","","0.0202","0.0201","","","0.0545","0.0546","","","","","","1.103","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502834","19.0572","0.0004","10.2321","0.0002","15.3048","0.0003","90","","101.993","0.001","90","","2919.22","0.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Cr I3 N9 -","- C24 H21 Cr I3 N9 -","- C96 H84 Cr4 I12 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0258","0.023","","","0.0456","0.0466","","","","","","1.087","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502836","18.929","0.004","10.141","0.002","15.118","0.003","90","","100.068","0.012","90","","2857.3","1","100","2","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Co I3 N9 -","- C24 H21 Co I3 N9 -","- C96 H84 Co4 I12 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0953","0.0654","","","0.1508","0.166","","","","","","1.063","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502838","18.886","0.0007","10.1126","0.0004","15.0093","0.0005","90","","104.032","0.002","90","","2781.04","0.18","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Br3 Cr N9 -","- C24 H21 Br3 Cr N9 -","- C96 H84 Br12 Cr4 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.019","0.018","","","0.0448","0.0452","","","","","","1.048","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502839","18.7217","0.0005","9.9933","0.0003","14.8638","0.0004","90","","102.81","0.002","90","","2711.68","0.13","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Br3 Fe N9 -","- C24 H21 Br3 Fe N9 -","- C96 H84 Br12 Fe4 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0425","0.0363","","","0.0818","0.0836","","","","","","1.426","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502840","18.679","0.0005","9.9819","0.0002","14.825","0.0004","90","","102.239","0.001","90","","2701.33","0.12","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Br3 Co N9 -","- C24 H21 Br3 Co N9 -","- C96 H84 Br12 Co4 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0215","0.0187","","","0.0378","0.0386","","","","","","1.103","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4503103","9.6829","0.0017","25.235","0.004","11.947","0.002","90","","94.25","0.003","90","","2911.2","0.8","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H23 Cd Ce N3 O19 -","- C21 H23 Cd Ce N3 O19 -","- C84 H92 Cd4 Ce4 N12 O76 -","4","1","","Prasad, T. K.; Rajasekharan, M. V.","Solvent Dependent Crystallization of Isomeric Chain Coordination Polymers in the Ce-Zn/Cd-dipic System","Crystal Growth & Design","2008","8","4","1346","","10.1021/cg070349z","","","0.71073","MoKα","","0.021","0.0206","","","0.0499","0.05","","","","","","1.087","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503210","10.452","0.002","18.951","0.004","10.55","0.002","90","","103.78","0.03","90","","2029.6","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","1","","Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin","Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2008","8","2","606","","10.1021/cg700758c","","","0.71073","MoKα","","0.0297","0.0282","","","0.0688","0.0696","","","","","","1.042","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503372","9.5284","0.0016","40.632","0.007","9.8789","0.0016","90","","95.384","0.004","90","","3807.8","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C156 H120 Cl24 N24 O12 -","12","3","","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","","0.182","0.0594","","","0.1215","0.1774","","","","","","0.763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503375","22.796","0.008","9.847","0.003","13.788","0.004","90","","108.889","0.009","90","","2928.3","1.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C136 H160 Cl8 N8 O8 -","8","2","","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","","0.1128","0.1015","","","0.2458","0.2562","","","","","","1.013","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503459","9.75","0.002","16.272","0.003","27.749","0.006","90","","91.229","0.003","90","","4401.4","1.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H16 N2 S4 -","- C26 H16 N2 S4 -","- C208 H128 N16 S32 -","8","2","","Yue, Wei; Tian, HongKun; Hu, Ninghai; Geng, Yanhou; Wang, Fosong","Crystal Packing Motifs of Oligothiophenes End-Capped withN-Containing Aryls","Crystal Growth & Design","2008","8","7","2352","","10.1021/cg701148z","","","0.71073","MoKα","","0.0386","0.0349","","","0.0884","0.0918","","","","","","1.03","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503569","22.121","0.005","21.272","0.005","14.977","0.005","90","0.005","95.371","0.005","90","0.005","7017","3","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C70 H63 N6 O19 P6 -","- C70 H63 N6 O19 P6 -","- C280 H252 N24 O76 P24 -","4","1","","Beckmann, Jens; Rüttinger, Roman; Schwich, Torsten","1,3,5-Benzene-tri-p-phenylphosphonic Acid. A New Building Block in Supramolecular Chemistry","Crystal Growth & Design","2008","8","9","3271","","10.1021/cg8000569","","","0.71069","MoKα","","0.063","0.0484","","","0.1224","0.1354","","","","","","1.035","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503660","14.4557","0.0009","12.8781","0.0008","14.0147","0.0009","90","","94.171","0.001","90","","2602.1","0.3","115","2","115","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H27 Cl O4 -","- C34 H27 Cl O4 -","- C136 H108 Cl4 O16 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Preparation and Crystal Structure of Guest-Dependent Charge-Transfer Host System Using 1,1′-Bi-2-naphthol and 2-Chloro-5-methyl-benzoquinone","Crystal Growth & Design","2008","8","10","3493","","10.1021/cg800211v","","","0.71073","MoKα","","0.0456","0.042","","","0.1119","0.1159","","","","","","1.069","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503729","11.711","0.002","8.6444","0.0017","11.664","0.002","90","","104.17","0.03","90","","1144.9","0.4","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[methyl(phenyl)amino]nicotinic acid","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","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","","0.0623","0.0587","","","0.1879","0.1914","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503777","18.024","0.007","22.506","0.007","14.515","0.006","90","","124.826","0.004","90","","4833","3","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C52 H41 Mn2 N12 O12 -","- C52 H33 Mn2 N12 O12 -","- C208 H132 Mn8 N48 O48 -","4","1","","Wu, Benlai; Liu, Caiping; Yuan, Daqiang; Jiang, Feilong; Hong, Maochun","Molecule Cleft and Squares with Binicotinic Bishydrazone Ligand: Crystal Structures, Spectroscopic Properties, and Calculation","Crystal Growth & Design","2008","8","10","3791","","10.1021/cg8004322","","","0.71073","MoKα","","0.0696","0.0562","","","0.1203","0.1306","","","","","","1.059","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503856","10.8996","0.0016","14.745","0.002","13.823","0.002","90","","97.187","0.002","90","","2204.1","0.5","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H24 F2 N2 O3 -","- C25 H24 F2 N2 O3 -","- C100 H96 F8 N8 O12 -","4","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0454","0.036","","","0.1006","0.1087","","","","","","0.782","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503920","24.0569","0.0012","16.084","0.0008","16.5679","0.0006","90","","132.762","0.002","90","","4706.6","0.4","123","2","123","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","Compound 2 dccdb","","","- C40 H40 Cd2 N16 O14 -","- C40 H40 Cd2 N16 O14 -","- C160 H160 Cd8 N64 O56 -","4","1","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Six-Coordinated Cd(II) Centers as Four- or Six-Connected Nodes in Coordination Polymer Networks Containing Bis(4-pyridyl)amine","Crystal Growth & Design","2007","7","2","328","","10.1021/cg0604632","","x-ray","0.71073","MoKα","","0.0857","0.0449","","","0.0711","0.0788","","","","","","0.945","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504016","15.6865","0.0014","5.8068","0.0007","12.6748","0.0014","90","","126.19","0.009","90","","931.8","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H7 Br I N S2 -","- C4 H7 Br I N S2 -","- C16 H28 Br4 I4 N4 S8 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Gelbrich, Thomas; Garau, Alessandra; Hursthouse, Michael B.; Isaia, Francesco; Lippolis, Vito","Charge-Transfer Adducts ofN-Methylthiazolidine-2-thione with IBr and I2: An Example of Polymorphism Featuring Interpenetrating Three-Dimensional Subcomponent Assemblies and Halogen···π···Ηalogen Weak Interactions","Crystal Growth & Design","2007","7","7","1284","","10.1021/cg0606545","","","0.71073","MoKα","","0.0282","0.0218","","","0.0575","0.0601","","","","","","1.089","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504017","14.746","0.003","18.417","0.009","12.542","0.004","90","","123.96","0.02","90","","2825.1","1.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H7 Br I N S2 -","- C4 H7 Br I N S2 -","- C48 H84 Br12 I12 N12 S24 -","12","3","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Gelbrich, Thomas; Garau, Alessandra; Hursthouse, Michael B.; Isaia, Francesco; Lippolis, Vito","Charge-Transfer Adducts ofN-Methylthiazolidine-2-thione with IBr and I2: An Example of Polymorphism Featuring Interpenetrating Three-Dimensional Subcomponent Assemblies and Halogen···π···Ηalogen Weak Interactions","Crystal Growth & Design","2007","7","7","1284","","10.1021/cg0606545","","","0.71073","MoKα","","0.0601","0.0368","","","0.0971","0.1067","","","","","","1.04","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504018","16.121","0.002","5.95","0.001","13.105","0.001","90","","127.53","0.01","90","","996.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 I2 N S2 -","- C4 H7 I2 N S2 -","- C16 H28 I8 N4 S8 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Gelbrich, Thomas; Garau, Alessandra; Hursthouse, Michael B.; Isaia, Francesco; Lippolis, Vito","Charge-Transfer Adducts ofN-Methylthiazolidine-2-thione with IBr and I2: An Example of Polymorphism Featuring Interpenetrating Three-Dimensional Subcomponent Assemblies and Halogen···π···Ηalogen Weak Interactions","Crystal Growth & Design","2007","7","7","1284","","10.1021/cg0606545","","","0.71073","MoKα","","0.016","0.016","","","0.0423","0.0423","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504044","6.7085","0.0013","11.437","0.002","12.53","0.003","90","","95.41","0.03","90","","957.1","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H11 B5 N2 O9 -","- C2 H11 B5 N2 O9 -","- C8 H44 B20 N8 O36 -","4","1","","Yang, Sihai; Li, Guobao; Tian, Shujian; Liao, Fuhui; Lin, Jianhua","Synthesis and Structure of [C2H10N2][B5O8(OH)]: A Nonmetal Pentaborate with Nonlinear Optical Properties","Crystal Growth & Design","2007","7","7","1246","1250","10.1021/cg0606794","","","0.71073","MoKα","","0.0325","0.0324","","","0.0818","0.0821","","","","","","1","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504559","13.216","0.0009","8.1166","0.0008","14.0262","0.0009","90","","106.236","0.004","90","","1444.6","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H13 Cl3 Co N4 -","- C10 H13 Cl3 Co N4 -","- C40 H52 Cl12 Co4 N16 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Wu, Nianzu; Ma, Jin Shi","Polymorphism in an Ionic Pair 2-Aminopyridyl-CoIIComplex: Role of N−H···Cl Hydrogen Bonds and π···π Interactions in Tuning the Columnar Packing","Crystal Growth & Design","2006","6","1","229","","10.1021/cg050302i","","","0.71073","MoKα","","0.0367","0.0298","","","0.0474","0.0484","","","","","","1.035","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504680","9.4278","0.0005","24.7779","0.0014","10.6761","0.0006","90","","113.025","0.001","90","","2295.3","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C96 H64 Cu8 N40 -","8","2","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","From One- to Three-Dimensional Architectures: Supramolecular Isomerism of Copper(I) 3,5-Di(4-pyridyl)-1,2,4-triazolate Involving in Situ Ligand Synthesis","Crystal Growth & Design","2006","6","2","519","","10.1021/cg050453l","","","0.71073","MoKα","","0.027","0.0259","","","0.0616","0.062","","","","","","1.013","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504746","18.6418","0.0017","16.8069","0.0015","13.1229","0.0012","90","","133.038","0.002","90","","3005.1","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","8","","","- C31 H23 Ag N8 O5 S -","- C31 H23 Ag N8 O5 S -","- C124 H92 Ag4 N32 O20 S4 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0256","0.025","","","0.0602","0.0605","","","","","","1.074","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504777","42.7088","0.0015","4.0066","0.0002","11.6089","0.0006","90","","90.411","0.002","90","","1986.43","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C72 H80 Br8 N8 O16 -","8","2","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.0463","0.044","","","0.1112","0.1128","","","","","","1.1","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504845","8.956","0.003","15.313","0.005","11.66","0.004","90","","94.62","0.02","90","","1593.9","0.9","293","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","","'cocrystal of 1-methyl-3-n-butyl imidazolium bromide with paraphenilendiamine","","- C14 H23 Br N4 -","- C14 H23 Br N4 -","- C56 H92 Br4 N16 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Cocrystal of an Ionic Liquid with Organic Molecules as a Mimic of Ionic Liquid Solution","Crystal Growth & Design","2005","5","1","337","","10.1021/cg030086i","","","0.71073","MoKα","","0.0671","0.0487","","","0.0959","0.1","","","","","","1.028","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4505034","14.354","0.003","14.127","0.003","8.0576","0.0016","90","","101.91","0.03","90","","1598.7","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H18 Ag N5 O3 -","- C14 H18 Ag N5 O3 -","- C56 H72 Ag4 N20 O12 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0405","0.0358","","","0.0826","0.1016","","","","","","1.059","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505035","14.142","0.004","14.381","0.004","8.033","0.003","90","","101.35","0.02","90","","1601.8","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H18 Ag N5 O3 -","- C14 H18 Ag N5 O3 -","- C56 H72 Ag4 N20 O12 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0361","0.0318","","","0.0827","0.0874","","","","","","1.106","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505041","11.9187","0.001","31.801","0.003","7.9304","0.0007","90","","128.382","0.002","90","","2356.2","0.4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","remacemide xinafoate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide 1-hydroxynaphthalene-2-carboxylate","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.6892","synchrotron","","0.0619","0.0494","","","0.1206","0.1234","","","","","","1.162","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505087","5.4329","0.0014","17.829","0.005","11.82","0.003","90","","94.361","0.005","90","","1141.6","0.5","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Hydrazinium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C9 H16 N2 O6 -","- C9 H16 N2 O6 -","- C36 H64 N8 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.059","0.0414","","","0.0828","0.0896","","","","","","1.003","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505091","5.0737","0.0014","18.203","0.005","11.742","0.003","90","","93.275","0.004","90","","1082.7","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Hydroxylammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C36 H60 N4 O28 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0326","0.0313","","","0.0708","0.0717","","","","","","1.058","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505092","4.7608","0.0011","19.703","0.005","11.502","0.003","90","","90.551","0.004","90","","1078.9","0.5","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ammonium cyclohexane-1-carboxylate-3cis,5cis-dicarboxylic acid","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C36 H60 N4 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0314","0.0309","","","0.0824","0.0828","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505258","8.4672","0.0003","5.2325","0.0003","53.24","0.002","90","","92.685","0.003","90","","2356.19","0.18","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H43 N3 O3 -","- C22 H43 N3 O3 -","- C88 H172 N12 O12 -","4","1","","Menger, Fredric M.; Zhang, Hailing","Peptoads, a group of amphiphilic long-chain triamides.","Langmuir : the ACS journal of surfaces and colloids","2005","21","23","10428","10438","10.1021/la0516227","","","1.54178","CuKα","","0.0766","0.0605","","","0.1497","0.1615","","","","","","1.065","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505269","24.732","0.0004","7.742","0.0001","14.343","0.0003","90","","108.421","0.001","90","","2605.61","0.08","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","1:1 molecular complex of benzoic acid and pentafluorobenzoic acid","1:1 molecular complex of benzoic acid and pentafluorobenzoic acid","","- C14 H7 F5 O4 -","- C14 H7 F5 O4 -","- C112 H56 F40 O32 -","8","2","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.0864","0.0474","","","0.1022","0.1221","","","","","","1.047","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505335","14.295","0.0009","11.766","0.0007","9.813","0.0014","90","0.008","116.214","0.007","90","0.005","1480.7","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.0943","0.0492","","","0.124","0.1448","","","","","","1.067","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505383","6.174","0.002","23.497","0.008","12.868","0.004","90","","96.483","0.006","90","","1854.8","1","187","2","187","2","","","","","","","","3","C 1 c 1","C -2yc","9","acridine","acridine","","- C13 H9 N -","- C13 H9 N -","- C104 H72 N8 -","8","2","","Mei, Xuefeng; Wolf, Christian","Formation of New Polymorphs of Acridine Using Dicarboxylic Acids as Crystallization Templates in Solution","Crystal Growth & Design","2004","4","6","1099","","10.1021/cg0498655","","","0.71073","MoKα","","0.1272","0.0403","","","0.0757","0.086","","","","","","0.684","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505545","21.074","0.003","11.1217","0.0014","21.507","0.003","90","","99.44","0.003","90","","4972.5","1.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","lanthanum iron(4) dioxo di-HPDTA diacetate","","","- C26 H33 Fe4 La N4 O36 -","- C26 H33 Fe4 La N4 O36 -","- C104 H132 Fe16 La4 N16 O144 -","4","1","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.41228","synchrotron","","0.1114","0.0821","","","0.2154","0.2343","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505667","7.1475","0.0002","28.7276","0.001","10.7856","0.0004","90","","93.829","0.002","90","","2209.67","0.13","150","1","150","1","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(acetonitrile) silver(I) cobalt(III) bis(dicarbollide)","","- C8 H26 Ag B18 Co N2 -","- C8 H28 Ag B18 Co N2 -","- C32 H112 Ag4 B72 Co4 N8 -","4","1","","Ahmad, Ruksanna; Hardie, Michaele J.","Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules","Crystal Growth & Design","2003","3","4","493","","10.1021/cg025613x","","","0.71073","MoKα","","0.0542","0.0404","","","0.0883","0.0934","","","","","","1.04","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505671","17.4002","0.0013","11.1573","0.0007","17.4202","0.0013","90","","113.479","0.005","90","","3101.9","0.4","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H18 Ag F3 N4 O8 S -","- C32 H18 Ag F3 N4 O8 S -","- C128 H72 Ag4 F12 N16 O32 S4 -","4","1","","Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.","1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)","Crystal Growth & Design","2003","3","3","331","","10.1021/cg025614p","","","0.71073","MoKα","","0.052","0.0394","","","0.0763","0.0799","","","","","","1.034","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505698","24.094","0.0003","18.061","0.0002","17.902","0.0003","90","","119.257","0.0007","90","","6796.5","0.17","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H60 Ag3 Cl3 N14 O12 -","- C70 H60 Ag3 Cl3 N14 O12 -","- C280 H240 Ag12 Cl12 N56 O48 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0525","0.0394","","","0.0866","0.094","","","","","","1.008","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505807","4.6002","0.0007","31.947","0.004","9.511","0.001","90","","92.81","0.01","90","","1396.1","0.3","293","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.1503","0.0409","","0.0537","0.0425","","","","","1.493","1.493","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505808","3.859","0.001","30.971","0.005","11.346","0.002","90","","91.17","0.02","90","","1355.8","0.5","295","","295","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Vrcelj, Ranko M.; Shepherd, Evelyn E. A.; Yoon, Choon-Sup; Sherwood, John N.; Kennedy, Alan R.","Preparation and Structural Evaluation of the Conformational Polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile","Crystal Growth & Design","2002","2","6","609","","10.1021/cg025529h","","","0.71069","MoKα","","0.0549","0.0303","","0.0398","0.0362","","","","","1.372","1.372","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505950","11.316","0.0003","17.8157","0.0005","7.1635","0.0002","90","","118.972","0.001","90","","1263.45","0.06","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H15 Gd O12 -","- C9 H15 Gd O12 -","- C36 H60 Gd4 O48 -","4","1","","Davies, Kate; Bourne, Susan A.; Oliver, Clive L.","Solvent- and Vapor-Mediated Solid-State Transformations in 1,3,5-Benzenetricarboxylate Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","4","1999","","10.1021/cg201707e","","","0.71073","MoKα","","0.0263","0.0243","","","0.0544","0.0558","","","","","","1.076","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505978","5.6549","0.0001","22.9356","0.0003","15.8278","0.0003","90","","94.422","0.001","90","","2046.73","0.06","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H21 Cd N2 O6 P -","- C19 H21 Cd N2 O6 P -","- C76 H84 Cd4 N8 O24 P4 -","4","1","","Dong, Li-Jie; Zhao, Cui-Cui; Xu, Xiang; Du, Zi-Yi; Xie, Yong-Rong; Zhang, Jian","Temperature-Dependent Crystal Self-Assembly, Disassembly, and Reassembly Among Three Cadmium(II) Carboxylate-Phosphinates","Crystal Growth & Design","2012","12","4","2052","","10.1021/cg300029d","","","0.71073","MoKα","","0.0302","0.028","","","0.0605","0.0614","","","","","","1.023","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4506017","17.7443","0.001","9.094","0.0005","22.8204","0.0016","90","","110.655","0.007","90","","3445.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H19 Ca4 N5 O17 -","- C31 H19 Ca4 N5 O17 -","- C124 H76 Ca16 N20 O68 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0721","0.0429","","","0.0769","0.0821","","","","","","0.821","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506025","10.2526","0.0003","12.6758","0.0003","7.5294","0.0003","90","","106.324","0.004","90","","939.07","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H7 Ca N O6 -","- C7 H7 Ca N O6 -","- C28 H28 Ca4 N4 O24 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0495","0.0451","","","0.1162","0.1228","","","","","","1.081","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506431","37.3364","0.0014","15.7791","0.0008","12.1979","0.0005","90","","101.693","0.004","90","","7037.1","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H25 F12 N6 Ni O0.5 P2 -","- C36 H24 F12 N6 Ni O0.5 P2 -","- C288 H192 F96 N48 Ni8 O4 P16 -","8","2","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0403","0.0361","","","0.0888","0.0899","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506432","37.149","0.002","15.8742","0.001","12.1522","0.0009","90","","101.574","0.006","90","","7020.6","0.8","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H25 F12 N6 O0.5 P2 Ru -","- C36 H24 F12 N6 O0.5 P2 Ru -","- C288 H192 F96 N48 O4 P16 Ru8 -","8","2","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0458","0.0388","","","0.082","0.0834","","","","","","1.039","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506433","37.1678","0.0013","15.7813","0.0005","12.1409","0.0003","90","","101.619","0.003","90","","6975.4","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C36 H25 F12 N6 Ni0.5 O0.5 P2 Ru0.5 -","- C36 H24 F12 N6 Ni0.5 O0.5 P2 Ru0.5 -","- C288 H192 F96 N48 Ni4 O4 P16 Ru4 -","8","2","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0621","0.0477","","","0.0969","0.1002","","","","","","1.094","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506471","16.413","0.004","16.914","0.004","7.4606","0.0016","90","","95.163","0.008","90","","2062.7","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H17 Co N7 O7 -","- C20 H17 Co N7 O7 -","- C80 H68 Co4 N28 O28 -","4","1","","Zhu, Xia; Sun, Peng-Peng; Ding, Jian-Gang; Li, Bao-Long; Li, Hai-Yan","Tuning Cobalt Coordination Architectures by Bis(1,2,4-triazol-1-ylmethyl)benzene Position Isomers and 5-Nitroisophthalate","Crystal Growth & Design","2012","12","8","3992","","10.1021/cg300465r","","","0.7107","MoKα","","0.0459","0.0387","","","0.0814","0.0867","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506794","19.623","0.009","12.731","0.006","11.297","0.005","90","","116.725","0.005","90","","2521","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H22 N2 Ni O7 -","- C27 H22 N2 Ni O7 -","- C108 H88 N8 Ni4 O28 -","4","1","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.0933","0.0631","","","0.157","0.1803","","","","","","1.017","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506807","12.4567","0.0016","20.188","0.003","8.1381","0.001","90","","115.55","0.001","90","","1846.4","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C72 H48 N24 O16 Zn4 -","4","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Wei, Jia-Jia; Xu, Xiang; Li, Xin-Fa; Liu, Qing-Yan","Noncentrosymmetric Organic Solid and Its Zinc Coordination Polymer with Diamonded Network Prepared from an Ionothermal Reaction: Syntheses, Crystal Structures, and Second-Order Nonlinear Optics Properties","Crystal Growth & Design","2012","12","9","4663","","10.1021/cg300889x","","","0.71073","MoKα","","0.0347","0.0291","","","0.0687","0.0716","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506884","14.026","0.002","20.318","0.003","10.927","0.0015","90","","91.966","0.014","90","","3112.1","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H16 Fe N6 O3 S6 -","- C22 H16 Fe N6 O3 S6 -","- C88 H64 Fe4 N24 O12 S24 -","4","1","","Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto","Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers","Crystal Growth & Design","2012","12","10","5069","","10.1021/cg3010135","","","0.71073","MoKα","","0.2025","0.0691","","","","0.1806","","","","","","0.87","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506974","26.418","0.0014","10.3733","0.0006","34.2804","0.0018","90","","103.138","0.001","90","","9148.4","0.9","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C82 H112 Mn3 N10 O31 -","- C82 H110 Mn3 N10 O31 -","- C328 H440 Mn12 N40 O124 -","4","1","","Yi, Fei-Yan; Sun, Zhong-Ming","Solvent-Controlled Syntheses, Structure, and Magnetic Properties of Trinuclear Mn(II)-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","11","5693","","10.1021/cg3011844","","","0.71073","MoKα","","0.0706","0.0552","","","0.1405","0.153","","","","","","1.003","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507003","13.6068","0.0008","21.642","0.0016","7.2516","0.0004","90","","114.749","0.002","90","","1939.3","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N4 O9 -","- C17 H22 N4 O9 -","- C68 H88 N16 O36 -","4","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0242","0.0239","","","0.0664","0.0669","","","","","","1.043","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507042","9.0799","0.0007","13.7595","0.0012","11.664","0.003","90","","93.131","0.012","90","","1455.1","0.4","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,6-trimethylpyridinium 2,5-dihydroxybenzoate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0515","0.0357","","","0.0823","0.0859","","","","","","0.901","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507058","12.126","0.004","12.2129","0.0012","12.3844","0.001","90","","101.733","0.014","90","","1795.7","0.6","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-cyanopyridine - - 2,5-dihydroxybenzoic acid (2:1)","","- C19 H14 N4 O4 -","- C19 H14 N4 O4 -","- C76 H56 N16 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0712","0.0343","","","0.0909","0.0963","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507086","10.363","0.005","11.163","0.005","17.892","0.006","90","","92.15","0.03","90","","2068.3","1.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H23 Cl N2 O3 S -","- C22 H23 Cl N2 O3 S -","- C88 H92 Cl4 N8 O12 S4 -","4","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.1884","0.1588","","","0.3871","0.398","","","","","","1.777","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507211","21.318","0.004","4.499","0.0009","11.179","0.002","90","","116.69","0.03","90","","957.9","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-hydroxyethylammonium 4-hydroxybenzoate","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.029","0.0286","","","0.0831","0.0836","","","","","","1.037","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507291","33.81","0.013","11.423","0.004","7.647","0.003","90","","101.221","0.004","90","","2896.9","1.9","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H32 Br2 N2 O2 -","- C34 H32 Br2 N2 O2 -","- C136 H128 Br8 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","","0.0383","0.0355","","","0.0882","0.0898","","","","","","1.054","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507365","14.2986","0.0005","13.6054","0.0005","9.8965","0.0002","90","","123.152","0.0016","90","","1611.86","0.09","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H21 N2 O5 -","- C15 H21 N2 O5 -","- C60 H84 N8 O20 -","4","1","","Seber, Gonca; Freitas, Rafael S.; Oliveira, Nei Fernandes; Lahti, Paul M.","Crystal Packing and Magnetism in Phenolic Nitronylnitroxides: 2-(3′,5′-Dimethoxy-4′-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl","Crystal Growth & Design","2013","13","2","893","","10.1021/cg301601c","","","0.71073","MoKα","","0.0368","0.0347","","","0.0916","0.0937","","","","","","1.058","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507471","20.0107","0.0001","63.6177","0.0006","17.7788","0.0002","90","","106.194","0.0004","90","","21735","0.3","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","Iridium 5","Iridium (phenylbenzothiazole)2 (acac)","","- C31 H23 Ir N2 O2 S2 -","- C31 H23 Ir N2 O2 S2 -","- C992 H736 Ir32 N64 O64 S64 -","32","8","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0629","0.0473","","","0.0903","0.0981","","","","","","1.053","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507505","17.517","0.005","7.2602","0.0018","6.224","0.002","90","","107.61","0.03","90","","754.5","0.4","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","1.5418","CuKα","","0.094","0.053","","","0.1017","0.134","","","","","","0.854","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507724","23.6644","0.0017","14.9473","0.0013","32.9534","0.0016","90","","93.185","0.003","90","","11638.2","1.4","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C120 H80 N8 O28 S4 Zn4 -","- C120 H80 N8 O28 S4 Zn4 -","- C480 H320 N32 O112 S16 Zn16 -","4","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0544","0.0495","","","0.1129","0.1138","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507861","35.402","0.005","15.813","0.006","11.424","0.005","90","","90.361","0.005","90","","6395","4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C66 H48 O13 Pb3 -","- C66 H48 O13 Pb3 -","- C264 H192 O52 Pb12 -","4","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0306","0.03","","","0.0755","0.076","","","","","","1.088","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4508050","9.688","0.0005","5.3821","0.0002","11.409","0.0006","90","","93.959","0.005","90","","593.47","0.05","120.1","","120.1","","","","","","","","","4","C 1 c 1","C -2yc","9","Lithium tartrate","Dilithium meso-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0386","0.0343","","","0.0749","0.0778","","","","","","1.062","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508638","13.006","0.003","17.261","0.004","12.209","0.002","90","","129.12","0.03","90","","2126.4","1.2","113","2","113","2","","","","","","","","3","C 1 c 1","C -2yc","9","methyl paraben","Methyl p-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C96 H96 O36 -","12","3","","Vujovic, Dejana; Nassimbeni, Luigi R.","Methyl ParabenA New Polymorph?","Crystal Growth & Design","2006","6","7","1595","","10.1021/cg050639k","","","0.71073","MoKα","","0.0402","0.033","","","0.0857","0.0902","","","","","","1.048","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508691","20.256","0.004","17.013","0.003","7.942","0.002","90","","107.56","0.02","90","","2609.4","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Phenol, 2-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-4-nitro 2-Salicylaldehyde clathrate","","- C30 H25 N3 O7 -","- C30 H25 N3 O7 -","- C120 H100 N12 O28 -","4","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.0709","0.0463","","","0.1035","0.1207","","","","","","1","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508784","17.418","0.005","10.74","0.003","16.615","0.005","90","","111.952","0.005","90","","2882.8","1.4","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C23 H22 Ag Cl2 F6 N6 O4 Sb -","- C23 H22 Ag Cl2 F6 N6 O4 Sb -","- C92 H88 Ag4 Cl8 F24 N24 O16 Sb4 -","4","1","","Lü, Xing-Qiang; Qiao, Yu-Qin; He, Jian-Rong; Pan, Mei; Kang, Bei-Sheng; Su, Cheng-Yong","Triple-Stranded Helical and Plywood-Like Arrays: Two Uncommon Framework Isomers Based on the Common One-Dimensional Chain Structures","Crystal Growth & Design","2006","6","8","1910","","10.1021/cg060240b","","","0.71073","MoKα","","0.058","0.0409","","","0.1032","0.1139","","","","","","1.022","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4509007","27.347","0.005","8.637","0.005","10.972","0.005","90","0.005","103.309","0.005","90","0.005","2521.9","1.9","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H28 N2 O4 Zn -","- C31 H28 N2 O4 Zn -","- C124 H112 N8 O16 Zn4 -","4","1","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71069","MoKα","","0.0756","0.0661","","","0.1579","0.166","","","","","","0.984","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509042","13.288","0.004","14.09","0.004","6.75","0.002","90","","108.594","0.004","90","","1197.8","0.6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C8 H7 Cu F3 N4 O4 S -","- C8 H7 Cu F3 N4 O4 S -","- C32 H28 Cu4 F12 N16 O16 S4 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0312","0.028","","","0.0669","0.0681","","","","","","1.051","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509638","7.5443","0.0004","28.7511","0.0013","16.8787","0.0008","90","","93.225","0.003","90","","3655.3","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H45 N7 O11 S2 -","- C33 H45 N7 O11 S2 -","- C132 H180 N28 O44 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","","0.0507","0.0401","","","0.102","0.1088","","","","","","1.08","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509660","13.6971","0.0015","13.628","0.0015","18.634","0.002","90","","105.895","0.002","90","","3345.3","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H18 Co2 F8 N4 O9 -","- C36 H18 Co2 F8 N4 O9 -","- C144 H72 Co8 F32 N16 O36 -","4","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.7749","","","0.0532","0.0418","","","0.0847","0.0901","","","","","","0.982","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509661","13.8311","0.0018","13.7846","0.0019","18.904","0.003","90","","104.92","0.003","90","","3482.7","0.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H18 F8 Mn2 N4 O9 -","- C36 H18 F8 Mn2 N4 O9 -","- C144 H72 F32 Mn8 N16 O36 -","4","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.71073","MoKα","","0.1222","0.0671","","","0.136","0.1622","","","","","","0.967","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509672","31.737","0.006","5.651","0.0011","7.619","0.0015","90","","96.54","0.03","90","","1357.5","0.5","296","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","","MoKα","","0.0414","0.0357","","","0.1025","0.1085","","","","","","1.08","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509797","16.4915","0.0011","6.5669","0.0004","13.6542","0.0009","90","","118.91","0.003","90","","1294.44","0.15","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H14 F N3 O4 -","- C13 H14 F N3 O4 -","- C52 H56 F4 N12 O16 -","4","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alica M.","Synthesis and Control of Single Layer and Polar 2-D Layered Architectures in a Series of Organic Layered Solids","Crystal Growth & Design","2009","9","11","4595","","10.1021/cg900908n","","","0.71073","MoKα","","0.04","0.0354","","","0.0923","0.0956","","","","","","1.09","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4510020","4.672","0.001","43.934","0.008","15.519","0.003","90","","96.876","0.009","90","","3162.5","1.1","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C40 H45 N O3 -","- C40 H45 N O3 -","- C160 H180 N4 O12 -","4","1","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","1.5418","CuKα","","0.3422","0.1905","","","0.2675","0.3377","","","","","","1.226","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510036","16.4657","0.0005","18.901","0.0006","16.0566","0.0005","90","","112.481","0.001","90","","4617.4","0.3","100","2","100.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H52 N2 Ni O6 S2 -","- C53 H52 N2 Ni O6 S2 -","- C212 H208 N8 Ni4 O24 S8 -","4","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","1.54178","CuKα","","0.0421","0.0418","","","0.1068","0.1072","","","","","","1.049","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510074","42.009","0.005","5.9508","0.0006","13.5541","0.0014","90","","92.817","0.005","90","","3384.3","0.6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H17 N5 -","- C21 H17 N5 -","- C168 H136 N40 -","8","2","","Laird, Rebecca C.; Nguyen, Nam P.; Rusch, Sara F.; Baltrusaitis, Jonas; Macgillivray, Leonard R.","Noncentrosymmetric Packings Influenced by Electronic Properties of Products of Click Reactions.","Crystal growth & design","2014","14","3","893","896","10.1021/cg4016542","","","0.71073","MoKα","","0.0506","0.0377","","","0.0879","0.0958","","","","","","1.05","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510075","37.7","0.004","5.7148","0.0006","7.2827","0.0008","90","","96.164","0.005","90","","1560","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H15 N5 -","- C20 H15 N5 -","- C80 H60 N20 -","4","1","","Laird, Rebecca C.; Nguyen, Nam P.; Rusch, Sara F.; Baltrusaitis, Jonas; Macgillivray, Leonard R.","Noncentrosymmetric Packings Influenced by Electronic Properties of Products of Click Reactions.","Crystal growth & design","2014","14","3","893","896","10.1021/cg4016542","","","0.71073","MoKα","","0.0797","0.0454","","","0.1027","0.1178","","","","","","0.977","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510110","6.6469","0.0008","12.9935","0.0015","16.782","0.002","90","","94.544","0.007","90","","1444.8","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0452","0.0395","","","0.0912","0.0942","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510113","11.2644","0.0019","11.2611","0.0019","21.64","0.004","90","","91.271","0.006","90","","2744.3","0.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","2","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0642","0.0508","","","0.1058","0.1115","","","","","","1.071","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510187","25.335","0.004","5.0261","0.0008","15.713","0.002","90","","123.924","0.002","90","","1660.2","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","03133","","","- C6 H4 Br2 O2 S -","- C6 H4 Br2 O2 S -","- C48 H32 Br16 O16 S8 -","8","2","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0519","0.0441","","","0.1009","0.1073","","","","","","1.024","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510215","17.6465","0.0009","5.0684","0.0003","14.7768","0.0008","90","","112.225","0.002","90","","1223.44","0.12","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0239","0.0225","","","0.0302","0.0303","","","","1.74","1.74","1.71","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510290","11.1707","0.0008","39.5124","0.0019","9.133","0.0007","90","","115.2","0.008","90","","3647.5","0.5","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C128 H144 N32 Ni8 S16 -","8","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0477","0.0383","","","0.1002","0.1043","","","","","","1.037","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510295","12.246","0.002","12.25","0.003","34.687","0.007","90","","90.55","0.03","90","","5203.3","1.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H30 S2 Si2 -","- C26 H30 S2 Si2 -","- C208 H240 S16 Si16 -","8","2","","Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu.","Molecularly Smooth Single-Crystalline Films of Thiophene‒Phenylene Co-Oligomers Grown at the Gas‒Liquid Interface","Crystal Growth & Design","2014","14","4","1726","","10.1021/cg401876a","","","0.69411","synchrotron","","0.0749","0.0606","","","0.1727","0.1839","","","","","","1.07","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510336","17.0836","0.0011","16.9192","0.0011","21.0915","0.0014","90","","110.954","0.004","90","","5693.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H50 N2 O21 Zn4 -","- C54 H45 N2 O21 Zn4 -","- C216 H180 N8 O84 Zn16 -","4","1","","Kim, Yeonga; Song, Jeong Hwa; Lee, Woo Ram; Phang, Won Ju; Lim, Kwang Soo; Hong, Chang Seop","Reversible Structural Flexibility and Sensing Properties of a Zn(II) Metal‒Organic Framework: Phase Transformation between Interpenetrating 3D Net and 2D Sheet","Crystal Growth & Design","2014","14","4","1933","","10.1021/cg500052v","","","0.71073","MoKα","","0.0766","0.0543","","","0.0912","0.0981","","","","","","1.025","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510395","4.933","0.0015","68.63","0.03","9.492","0.004","90","","104.44","0.04","90","","3112","2","90","","90","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N2 -","- C18 H12 F6 N2 -","- C144 H96 F48 N16 -","8","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71075","MoKα","","","0.0549","","","","0.1357","","","","","","0.946","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510599","22.7052","0.0003","76.785","0.004","16.055","0.0003","90","","135","0.0017","90","","19792.3","1.3","293","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi Cl O3 Se -","- Bi Cl O3 Se -","- Bi192 Cl192 O576 Se192 -","192","48","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.1124","0.0612","","","0.0645","0.0694","","","","1.63","1.63","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510839","12.1026","0.0005","11.1887","0.0005","11.2215","0.0003","90","","93.417","0.002","90","","1516.83","0.1","293","2","293","2","","","","","","","synthesis","5","C 1 c 1","C -2yc","9","","","","- C13 H20 Cl2 N2 Ru -","- C13 H20 Cl2 N2 Ru -","- C52 H80 Cl8 N8 Ru4 -","4","1","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","0.71073","MoKα","","0.0328","0.0293","","","0.0894","0.1032","","","","","","1.167","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510990","9.365","0.002","30.01","0.006","20.085","0.004","90","","100.22","0.03","90","","5555","2","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","3,5-Dihydroxybenzoic acid dipropyl oxalate","","","- C50 H50 O35 -","- C50 H50 O35 -","- C200 H200 O140 -","4","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0878","0.0727","","","0.1753","0.2047","","","","","","1.185","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510993","30.096","0.006","9.118","0.002","20.17","0.004","90","","109.92","0.03","90","","5204","2","123","2","123","2","","","","","","","","3","C 1 c 1","C -2yc","9","3,5-Dihydroxybenzoic acid acetone solvate","","","- C48 H56 O31 -","- C48 H56 O31 -","- C192 H224 O124 -","4","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0493","0.0448","","","0.1151","0.1324","","","","","","1.164","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511062","34.231","0.005","21.783","0.005","18.171","0.003","90","","94.452","0.004","90","","13508","4","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C149.75 H111.75 Ag2 F6 N5.5 O8.25 S14 Zn -","- C149.714 H111.714 Ag2 F6 N5.625 O8.25 S14 Zn -","- C598.856 H446.856 Ag8 F24 N22.5 O33 S56 Zn4 -","4","1","","Huang, Guo; Tsang, Chun-Kwan; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Flexible Thioether−Ag(I) Interactions for Assembling Large Organic Ligands into Crystalline Networks","Crystal Growth & Design","2009","9","3","1444","","10.1021/cg800869u","","","0.71073","MoKα","","0.0761","0.0643","","","0.164","0.1716","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511081","17.7031","0.0011","8.3828","0.0005","17.4031","0.0011","90","","108.626","0.002","90","","2447.4","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H22 N2 O10 -","- C26 H22 N2 O10 -","- C104 H88 N8 O40 -","4","1","","Roy, Sandipan; Mahata, Goutam; Biradha, Kumar","Cocrystal and Salts of 2,2′,6,6′-Tetracarboxybiphenyl with Bis(pyridyl) Derivatives: Eight-fold Interpenetrated Diamondoid and Layered Networks","Crystal Growth & Design","2009","9","12","5006","","10.1021/cg901132g","","","0.71073","MoKα","","0.0399","0.036","","","0.0958","0.0986","","","","","","1.01","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511117","15.24","0.005","13.155","0.005","20.779","0.008","90","","102.406","0.007","90","","4069","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H44 Co2 N8 O10 -","- C38 H44 Co2 N8 O10 -","- C152 H176 Co8 N32 O40 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71073","MoKα","","0.1021","0.0904","","","0.2457","0.256","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511124","29.511","0.008","12.05","0.003","13.908","0.004","90","","111.457","0.011","90","","4603","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H36 F6 N8 O11 Zn2 -","- C39 H30 F6 N8 O11 Zn2 -","- C156 H120 F24 N32 O44 Zn8 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71069","MoKα","","0.0975","0.0641","","","0.1656","0.1862","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511192","8.5791","0.0015","17.024","0.003","17.691","0.003","90","","91.549","0.004","90","","2582.8","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","[(C3H7)4N][(C4H2N3O5)][(NH2)2CS]2H2O","","","- C17 H38 N6 O7 S -","- C17 H38 N6 O7 S -","- C68 H152 N24 O28 S4 -","4","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.0404","0.0338","","","0.0867","0.0928","","","","","","1.023","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511196","13.2716","0.0015","13.3676","0.0014","15.7087","0.0017","90","","91.337","0.002","90","","2786.1","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","[(C4H9)4N][(C4H2N3O5)][(NH2)2CO](2H2O)","","","- C21 H46 N6 O8 -","- C21 H46 N6 O8 -","- C84 H184 N24 O32 -","4","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.0677","0.0542","","","0.1403","0.1509","","","","","","0.96","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511220","14.2784","0.001","11.3734","0.0009","14.8822","0.0011","90","","96.67","0.004","90","","2400.4","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0403","0.0349","","","0.0802","0.083","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4511524","20.764","0.012","9.877","0.006","9.959","0.006","90","","106.38","0.009","90","","1960","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","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","","0.0343","0.034","","","0.0823","0.0827","","","","","","1.118","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511609","14.6916","0.0003","19.3357","0.0003","12.8728","0.0003","90","","111.282","0.001","90","","3407.43","0.12","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C128 H136 Br2.24 Cl1.76 N20 O4 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0201","0.0183","","","0.0445","0.0449","","","","","","1.046","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511621","12.428","0.002","18.546","0.003","7.5612","0.0012","90","","115","0.003","90","","1579.5","0.4","223","2","223","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.0983","0.0529","","","0.0774","0.0867","","","","","","1.01","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511653","19.5148","0.0014","12.7678","0.0009","14.3466","0.001","90","","114.133","0.001","90","","3262.2","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H26 Cl2 Cu2 N2 O8 -","- C34 H26 Cl2 Cu2 N2 O8 -","- C136 H104 Cl8 Cu8 N8 O32 -","4","1","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.053","0.0454","","","0.1103","0.1173","","","","","","0.904","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511665","8.874","0.002","17.329","0.006","14.646","0.004","90","","92.775","0.004","90","","2249.6","1.1","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H24 B Li O8 -","- C22 H24 B Li O8 -","- C88 H96 B4 Li4 O32 -","4","1","","Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs","Structural Features of Lithium Organoborates","Crystal Growth & Design","2002","2","2","111","","10.1021/cg010035q","","","0.71073","MoKα","","0.0835","0.0619","","","0.1525","0.1735","","","","","","1.037","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511711","13.202","0.004","27.475","0.008","7.641","0.002","90","","123.254","0.004","90","","2317.7","1.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H30 Cd2 N8 O9 -","- C40 H30 Cd2 N8 O9 -","- C80 H60 Cd4 N16 O18 -","2","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.064","0.0511","","","0.1151","0.1194","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511906","36.09","0.02","8.178","0.004","11.344","0.006","90","","107.542","0.011","90","","3192","3","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H35 Cl F N O8 -","- C35 H35 Cl F N O8 -","- C140 H140 Cl4 F4 N4 O32 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0518","0.0446","","","0.1187","0.1422","","","","","","1.135","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511907","17.732","0.007","13.844","0.005","11.508","0.005","90","","116.485","0.003","90","","2528.5","1.7","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Cl F N O5 -","- C28 H29 Cl F N O5 -","- C112 H116 Cl4 F4 N4 O20 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0695","0.064","","","0.1778","0.1898","","","","","","1.08","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511909","18.369","0.002","13.121","0.0013","12.0966","0.0017","90","","119.324","0.004","90","","2541.9","0.5","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Cl F N O6 -","- C28 H29 Cl F N O6 -","- C112 H116 Cl4 F4 N4 O24 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0792","0.0569","","","0.1349","0.1687","","","","","","1.019","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512124","11.5522","0.0004","23.5906","0.0007","7.0881","0.0002","90","","105.784","0.004","90","","1858.84","0.11","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H17 Cl2 F4 I2 N -","- C13 H17 Cl2 F4 I2 N -","- C52 H68 Cl8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0135","0.0132","","","0.0324","0.0325","","","","","","1.059","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512125","11.6862","0.0005","24.0917","0.0009","7.1603","0.0003","90","","106.682","0.005","90","","1931.07","0.15","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H17 Br2 F4 I2 N -","- C13 H17 Br2 F4 I2 N -","- C52 H68 Br8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0277","0.0252","","","0.0496","0.0499","","","","","","1.084","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512272","27.35","0.002","9.5383","0.0006","18.5428","0.0016","90","","113.005","0.01","90","","4452.6","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H48 Cu5 O47 -","- C24 H44 Cu5 O47 -","- C96 H176 Cu20 O188 -","4","1","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0487","0.0376","","","0.0776","0.0817","","","","","","1.02","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512522","13.1287","0.0001","24.6784","0.0003","8.34752","0.00008","90","","100.658","0.0005","90","","2657.9","0.05","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H32 N5 O8 P -","- C20 H32 N5 O8 P -","- C80 H128 N20 O32 P4 -","4","1","","Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina","Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil","Crystal Growth & Design","2015","15","1","475","","10.1021/cg501542h","powder diffraction","","1.5418","CuKα","","","","","","","","","5.8734","12.7","","","","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512594","35.4484","0.0013","10.5194","0.0004","29.0669","0.001","90","","109.864","0.002","90","","10194","0.7","100","2","99.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C98 H96 F36 N8 O16 P6 -","- C98 H96 F36 N8 O16 P6 -","- C392 H384 F144 N32 O64 P24 -","4","1","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","1.54178","CuKα","","0.0836","0.07","","","0.1825","0.1959","","","","","","1.035","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512773","13.59","0.0006","23.0149","0.001","7.498","0.0003","90","","122.641","0.001","90","","1974.79","0.15","99","2","99","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Cocrystal between 4H,4'H-octafluorobiphenyl and trans-1,2-bis(4-pyridyl)ethene","","- C24 H12 F8 N2 -","- C24 H12 F8 N2 -","- C96 H48 F32 N8 -","4","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0323","0.0285","","","0.0738","0.0762","","","","","","1.028","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512808","20.603","0.003","8.7468","0.0015","9.7202","0.0016","90","","110.374","0.002","90","","1642.1","0.5","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C14 H8 N4 O12 -","- C13.973 H8 N3.912 O12 -","- C55.892 H32 N15.648 O48 -","4","1","","Simon, Florent; Clevers, Simon; Gbabode, Gabin; Couvrat, Nicolas; Agasse-Peulon, Valérie; Sanselme, Morgane; Dupray, Valerie; Coquerel, Gerard","Enhanced Second Harmonic Generation from an Organic Self-Assembled Eutectic Binary Mixture: A Case Study with 3-Nitrobenzoic and 3,5-Dinitrobenzoic Acids","Crystal Growth & Design","2015","15","2","946","","10.1021/cg5017565","","x-ray","0.71073","MoKα","","0.0403","0.0341","","","0.087","0.0934","","","","","","0.987","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512827","11.6416","0.0005","15.9955","0.0004","12.1545","0.0004","90","","113.13","0.005","90","","2081.39","0.15","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H16 Ag B F4 N4 O2 -","- C18 H16 Ag B F4 N4 O2 -","- C72 H64 Ag4 B4 F16 N16 O8 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.0729","0.0441","","","0.1131","0.1277","","","","","","1.028","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512922","20.949","0.004","7.4938","0.0015","14.998","0.003","90","","133.85","0.03","90","","1698","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C10 H14 B2 Cl4 N2 O4 Pd -","- C10 H14 B2 Cl4 N2 O4 Pd -","- C40 H56 B8 Cl16 N8 O16 Pd4 -","4","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0227","0.022","","","0.0497","0.05","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512924","13.863","0.003","3.7921","0.0008","20.094","0.004","90","","97.46","0.03","90","","1047.4","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C5 H9 B Cl3 Cu N O3 -","- C5 H9 B Cl3 Cu N O3 -","- C20 H36 B4 Cl12 Cu4 N4 O12 -","4","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0303","0.0301","","","0.0769","0.077","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513026","7.8582","0.0002","22.8598","0.0005","13.8341","0.0005","90","","90.02","0.003","90","","2485.11","0.12","140","2","140","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H66 N2 O12 -","- C52 H66 N2 O12 -","- C104 H132 N4 O24 -","2","0.5","","Drużbicki, Kacper; Mielcarek, Jadwiga; Kiwilsza, Anna; Toupet, Loic; Collet, Eric; Pajzderska, Aleksandra; Wąsicki, Jan","Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine","Crystal Growth & Design","2015","15","6","2817","","10.1021/acs.cgd.5b00251","","","0.71073","MoKα","","0.0928","0.0693","","","0.1558","0.197","","","","","","1.737","","","","has coordinates","138061","2020-10-21","18:00:00",""
"4513187","18.524","0.005","15.304","0.004","14.862","0.004","90","","98.269","0.006","90","","4169.4","1.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H47 Cl F6 N2 P2 Ru -","- C45 H47 Cl F6 N2 P2 Ru -","- C180 H188 Cl4 F24 N8 P8 Ru4 -","4","1","","Xie, Xiaoke; Huynh, Han Vinh","Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst","ACS Catalysis","2015","5","7","4143","","10.1021/acscatal.5b00588","","","0.71073","MoKα","","0.0419","0.0399","","","0.0915","0.0927","","","","","","1.008","","","","has coordinates","140051","2020-10-21","18:00:00",""
"4513416","11.089","","21.674","","6.521","","90","","125.44","","90","","1276.9","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","((C H3)2 N H2) (Cd2 Cl5 (H2 O)) (H2 O)","","- C2 H12 Cd2 Cl5 N O2 -","- C2 Cd2 Cl5 N O2 -","- C8 Cd8 Cl20 N4 O8 -","4","1","","Thorn, A.; Twamley, B.; Willett, R.D.","Novel series of ribbon structures in dialkylammonium chlorocadmates obtained by dimensional reduction of the hexagonal Cd Cl2 lattice","Crystal Growth and Design","2006","6","","1134","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513448","10.333","0.004","36.097","0.013","9.961","0.003","90","","112.768","0.012","90","","3426","2","302","2","302","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H43 N3 O7 S -","- C35 H43 N3 O7 S -","- C140 H172 N12 O28 S4 -","4","1","","Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel","Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations","Crystal Growth & Design","2015","15","8","4162","","10.1021/acs.cgd.5b00744","","","0.71073","MoKα","","0.1224","0.0428","","","0.0833","0.1043","","","","","","0.914","","","","has coordinates","154558","2020-10-21","18:00:00",""
"4513680","12.1032","0.0005","15.8942","0.0005","16.1513","0.0007","90","","106.192","0.004","90","","2983.8","0.2","290","2","290","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H36 Cl N O P2 Pd -","- C31 H36 Cl N O P2 Pd -","- C124 H144 Cl4 N4 O4 P8 Pd4 -","4","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0469","0.0345","","","0.1019","0.1342","","","","","","1.053","","","","has coordinates","169972","2020-10-21","18:00:00",""
"4513724","31.67","0.005","22.718","0.005","22.929","0.005","90","0.005","130.767","0.005","90","0.005","12494","4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H40 N24 O24 Ru4 S12 -","- C84 H40 N24 O24 Ru4 S12 -","- C168 H80 N48 O48 Ru8 S24 -","2","0.5","","Cole, Jacqueline M.; Low, Kian Sing; Gong, Yun","Discovery of Black Dye Crystal Structure Polymorphs: Implications for Dye Conformational Variation in Dye-Sensitized Solar Cells.","ACS applied materials & interfaces","2015","7","50","27646","27653","10.1021/acsami.5b07364","","","0.7","synchrotron","","0.0876","0.0789","","","0.2266","0.2444","","","","","","1.045","","","","has coordinates,has disorder","173566","2020-10-21","18:00:00",""
"4513844","22.9134","0.0012","12.3868","0.0007","17.2161","0.0009","90","","124.699","0.001","90","","4017.3","0.4","200","2","200","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C132 H28 B4 Cl8 F80 Fe8 O24 S8 -","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","","0.0473","0.0427","","","0.1034","0.1063","","","","","","1.042","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513931","17.0431","0.0006","25.6881","0.0009","10.2924","0.0003","90","","90.01","0.001","90","","4506.1","0.3","128","2","128","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C156 H288 N24 O36 -","12","3","","Kim, Hyunwoo; Park, Gyeongtae; Park, Juhyeon; Chang, Sukbok","A Facile Access to Primary Alkylamines and Anilines via Ir(III)-Catalyzed C‒H Amidation Using Azidoformates","ACS Catalysis","2016","","","5922","","10.1021/acscatal.6b01869","","","0.71073","MoKα","","0.1088","0.0673","","","0.143","0.163","","","","","","1.013","","","","has coordinates","185685","2020-10-21","18:00:00",""
"4514012","16.946","0.003","13.855","0.003","12.2464","0.0014","90","","100.543","0.011","90","","2826.8","0.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H27 N3 O8 S2 -","- C28 H27 N3 O8 S2 -","- C112 H108 N12 O32 S8 -","4","1","","Rivinoja, Daniel J.; Gee, Yi Sing; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","The Diastereoselective Synthesis of Pyrroloindolines by Pd-Catalyzed Dearomative Cycloaddition of 1-Tosyl-2-vinylaziridine to 3-Nitroindoles","ACS Catalysis","2017","7","2","1053","","10.1021/acscatal.6b03248","","x-ray","1.54178","CuKα","","0.0334","0.0321","","","0.0795","0.0806","","","","","","1.045","","","","has coordinates","191227","2020-10-21","18:00:00",""
"4514390","37.303","0.005","24.999","0.004","20.771","0.003","90","","93.068","0.005","90","","19342","5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C140 H88 Cd4 N8 O16 -","- C140 H88 Cd4 N8 O16 -","- C560 H352 Cd16 N32 O64 -","4","1","","Zhao, Xiaoyu; Song, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long","Targeted Construction of Light-Harvesting Metal-Organic Frameworks Featuring Efficient Host-Guest Energy Transfer.","ACS applied materials & interfaces","2018","10","6","5633","5640","10.1021/acsami.7b17755","","","0.71073","MoKα","","0.048","0.04","","","0.0933","0.0965","","","","","","1.095","","","","has coordinates","227494","2020-10-21","18:00:00",""
"4514666","16.9269","0.0005","16.7619","0.0005","8.8583","0.0003","90","","91.738","0.001","90","","2512.18","0.14","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C108 H92 Cl12 N8 O4 -","- C108 H92 Cl12 N8 O4 -","- C108 H92 Cl12 N8 O4 -","1","0.25","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","1.54184","CuKα","","0.0317","0.0315","","","0.0811","0.0813","","","","","","1.071","","","","has coordinates","219845","2020-10-21","18:00:00",""
"4514887","6.0855","0.0012","12.683","0.003","13.554","0.003","90","","93.29","0.03","90","","1044.4","0.4","173","2","173.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0346","0.0337","","","0.0805","0.0815","","","","","","1.042","","","","has coordinates","220045","2020-10-21","18:00:00",""
"4514960","23.749","0.0011","31.2851","0.0015","17.9917","0.0009","90","","108.379","0.002","90","","12685.8","1.1","188","2","188","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C55 H42 N2 O2 S -","- C55 H42 N2 O2 S -","- C660 H504 N24 O24 S12 -","12","3","","Rao, Jiancheng; Zhao, Chenyang; Wang, Yanping; Bai, Keyan; Wang, Shumeng; Ding, Junqiao; Wang, Lixiang","Achieving Deep-Blue Thermally Activated Delayed Fluorescence in Nondoped Organic Light-Emitting Diodes through a Spiro-Blocking Strategy.","ACS omega","2019","4","1","1861","1867","10.1021/acsomega.8b03296","","","0.71073","MoKα","","0.1193","0.0702","","","0.1743","0.2216","","","","","","1.03","","","","has coordinates","220126","2020-10-21","18:00:00",""
"4515029","12.091","0.002","21.639","0.004","13.768","0.003","90","","101.26","0.03","90","","3532.9","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 B3 N3 -","- C42 H42 B3 N3 -","- C168 H168 B12 N12 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0325","0.0325","","","0.0898","0.0899","","","","","","1.039","","","","has coordinates","220163","2020-10-21","18:00:00",""
"4515156","8.827","0.006","15.463","0.01","13.152","0.012","90","","109.534","0.013","90","","1692","2","173","2","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","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","","","0.71073","MoKα","","0.0838","0.0473","","","0.0911","0.1031","","","","","","1.032","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515172","24.823","0.005","10.2507","0.0019","11.275","0.002","90","","103.362","0.004","90","","2791.3","0.9","297","2","297","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H15 N -","- C21 H15 N -","- C168 H120 N8 -","8","2","","Liu, Fan; Wu, Fei; Ling, Weidong; Tu, Zongxiao; Zhang, Jianqi; Wei, Zhixiang; Zhu, Linna; Li, Qianqian; Li, Zhen","Facile-Effective Hole-Transporting Materials Based on Dibenzo[a,c]carbazole: The Key Role of Linkage Position to Photovoltaic Performance of Perovskite Solar Cells","ACS Energy Letters","2019","4","10","2514","","10.1021/acsenergylett.9b01539","","","0.71073","MoKα","","0.0559","0.0364","","","0.0846","0.1023","","","","","","1.162","","","","has coordinates","220274","2020-10-21","18:00:00",""
"4515396","14.4395","0.0003","13.817","0.0002","18.3269","0.0003","90","","100.609","0.001","90","","3593.91","0.11","90","0.2","90","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C46 H42 N2 Si -","- C46 H42 N2 Si -","- C184 H168 N8 Si4 -","4","1","","Park, So Min; Mazza, Samuel M.; Liang, Zhiming; Abtahi, Ashkan; Boehm, Alex M.; Parkin, Sean R.; Anthony, John E.; Graham, Kenneth R.","Processing Dependent Influence of the Hole Transport Layer Ionization Energy on Methylammonium Lead Iodide Perovskite Photovoltaics.","ACS applied materials & interfaces","2018","10","18","15548","15557","10.1021/acsami.7b16894","","","1.54178","CuKα","","0.0281","0.0279","","","0.0765","0.0767","","","","","","1.048","","","","has coordinates","225549","2020-10-21","18:00:00",""
"4515478","19.003","0.004","10.452","0.002","8.8763","0.0018","90","","96.73","0.03","90","","1750.9","0.6","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H24 F6 N P -","- C15 H24 F6 N P -","- C60 H96 F24 N4 P4 -","4","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.1114","0.1036","","","0.2987","0.3075","","","","","","1.152","","","","has coordinates,has disorder","225633","2020-10-21","18:00:00",""
"4515527","18.3717","0.0012","10.8662","0.0007","19.0286","0.0012","90","","94.307","0.001","90","","3788","0.4","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H29 F9 K Mn N6 O5 -","- C32 H29 F9 K Mn N6 O5 -","- C128 H116 F36 K4 Mn4 N24 O20 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.053","0.0516","","","0.1418","0.1438","","","","","","1.045","","","","has coordinates","225684","2020-10-21","18:00:00",""
"4516759","18.8002","0.0013","16.2335","0.0011","15.7805","0.0011","90","","108.884","0.001","90","","4556.9","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C8.5 H5.75 Cl F3 I N0.25 O2 -","- C8.5 H5.75 Cl F3 I N0.25 O2 -","- C136 H92 Cl16 F48 I16 N4 O32 -","16","4","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0291","0.028","","","0.0684","0.0692","","","","","","1.126","","","","has coordinates","239518","2020-10-21","18:00:00",""
"4517186","13.3839","0.0005","19.2766","0.0009","8.6173","0.0003","90","","126.48","0.002","90","","1787.62","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Samanta, Sourav; Govindaraju, Thimmaiah","Unambiguous Detection of Elevated Levels of Hypochlorous Acid in Double Transgenic AD Mouse Brain.","ACS chemical neuroscience","2019","10","12","4847","4853","10.1021/acschemneuro.9b00554","","","0.71073","MoKα","","0.079","0.0641","","","0.1718","0.1875","","","","","","1.04","","","","has coordinates","246534","2020-10-21","18:00:00",""
"4517421","7.342","0.001","25.736","0.005","11.628","0.004","90","","96.3","0.01","90","","2183.9","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H8 F10 S2 -","- C26 H8 F10 S2 -","- C104 H32 F40 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","","0.102","0.0491","","","0.1048","0.1356","","","","","","0.91","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517539","4.42","0.002","43.948","0.009","7.635","0.002","90","","97.64","0.03","90","","1469.9","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Song, Xiao-Jiao; Xue, Xiao-Ming","Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges.","ACS omega","2020","5","14","8347","8354","10.1021/acsomega.0c00853","","","0.71073","MoKα","","0.0368","0.0337","","","0.0843","0.0871","","","","","","1.028","","","","has coordinates","251426","2020-10-21","18:00:00",""
"4517585","17.9392","0.0011","18.2892","0.001","17.3878","0.001","90","","118.402","0.002","90","","5018.1","0.5","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H78 Au B F4 N2 -","- C56 H78 Au B F4 N2 -","- C224 H312 Au4 B4 F16 N8 -","4","1","","Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy","Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes","ACS Catalysis","2020","","","5190","","10.1021/acscatal.0c01352","","x-ray","0.71073","MoKα","","0.031","0.0188","","","0.0427","0.0476","","","","","","1.04","","","","has coordinates,has disorder","250888","2020-10-21","18:00:00",""
"4517602","20.065","0.003","21.913","0.003","16.255","0.003","90","","98.773","0.005","90","","7063.5","1.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74 H30 F16 Fe2 N8 O -","- C74 H30 F16 Fe2 N8 O -","- C296 H120 F64 Fe8 N32 O4 -","4","1","","Thomas, Kolle E.; Settineri, Nicholas S.; Teat, Simon J.; Steene, Erik; Ghosh, Abhik","Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence","ACS Omega","2020","","","","","10.1021/acsomega.0c01035","","","0.7288","Synchrotron","","0.0696","0.0669","","","0.1728","0.1774","","","","","","1.082","","","","has coordinates","251082","2020-10-21","18:00:00",""
"4517673","14.2654","0.0007","3.6291","0.0002","17.9154","0.0009","90","","108.205","0.002","90","","881.06","0.08","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H7 N11 O2 -","- C3 H7 N11 O2 -","- C12 H28 N44 O8 -","4","1","","Hu, Lu; He, Chunlin; Zhao, Gang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Selecting Suitable Substituents for Energetic Materials Based on a Fused Triazolo-[1,2,4,5]tetrazine Ring","ACS Applied Energy Materials","2020","","","","","10.1021/acsaem.0c00487","","","0.71073","MoKα","","0.0588","0.041","","","0.0855","0.0937","","","","","","1.019","","","","has coordinates","252131","2020-10-21","18:00:00",""
"4517765","6.9727","0.0011","19.869","0.003","12.956","0.002","90","","91.013","0.004","90","","1794.7","0.5","101","","101","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip","Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies.","ACS omega","2020","5","24","14394","14407","10.1021/acsomega.0c00934","","","1.54178","CuKα","","0.0354","0.0353","","","0.0871","0.0871","","","","","","1.104","","","","has coordinates","253714","2020-10-21","18:00:00",""
"4518161","16.8405","0.0002","16.9294","0.0002","41.4502","0.0004","90","","94.715","0.001","90","","11777.4","0.2","90","","90","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C106 H128 Br8 F12 Fe2 N6 O18 P2 -","- C106 H128 Br8 F12 Fe2 N6 O18 P2 -","- C424 H512 Br32 F48 Fe8 N24 O72 P8 -","4","1","","Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki","Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15171","","x-ray","1.54184","CuKα","","0.0608","0.0591","","","0.1644","0.1661","","","","","","1.038","","","","has coordinates,has disorder","258548","2020-10-22","21:20:35",""
"4518214","11.7514","0.0004","13.3298","0.0005","9.6736","0.0003","90","","95.87","0.004","90","","1507.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H13 Cl2 N S -","- C16 H13 Cl2 N S -","- C64 H52 Cl8 N4 S4 -","4","1","","Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.","α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds","ACS Catalysis","2020","10","22","13682","13687","10.1021/acscatal.0c04243","","x-ray","1.54184","CuKα","","0.044","0.0433","","","0.1113","0.1118","","","","","","1.092","","","","has coordinates","259503","2020-12-04","02:12:11",""
"4518331","37.8061","0.0011","5.5428","0.0002","11.8831","0.0004","90","","98.825","0.003","90","","2460.64","0.14","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H32 Cd Cl4 N2 -","- C20 H32 Cd Cl4 N2 -","- C80 H128 Cd4 Cl16 N8 -","4","1","","Li, Lin-Sui; Tan, Yu-Hui; Wei, Wen-Juan; Gao, Hong-Qiang; Tang, Yun-Zhi; Han, Xiao-Bo","Chiral Switchable Low-Dimensional Perovskite Ferroelectrics","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c19507","","","0.71073","MoKα","","0.0549","0.0497","","","0.1308","0.1375","","","","","","1.048","","","","has coordinates","260062","2020-12-21","22:13:21",""
"4518384","16.577","0.004","15.944","0.004","15.596","0.004","90","","99.187","0.007","90","","4069.2","1.8","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","Keinan182b (Ofer)","","","- C44 H54 Cl2 N O3 P Ru -","- C44 H54 Cl2 N O3 P Ru -","- C176 H216 Cl8 N4 O12 P4 Ru4 -","4","1","","Eivgi, Or; Vaisman, Anna; Lemcoff, N. Gabriel","Latent, Yet Highly Active Photoswitchable Olefin Metathesis Precatalysts Bearing Cyclic Alkyl Amino Carbene (CAAC)/Phosphite Ligands","ACS Catalysis","2020","","","703","709","10.1021/acscatal.0c04909","","","0.71073","MoKα","","0.1332","0.0723","","","0.1571","0.1896","","","","","","0.971","","","","has coordinates,has disorder","260296","2020-12-31","22:24:09",""
"4518508","10.318","0.0002","29.4659","0.0008","6.7167","0.0002","90","","93.252","0.002","90","","2038.78","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H33 B2 F O2 -","- C23 H33 B2 F O2 -","- C92 H132 B8 F4 O8 -","4","1","","Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P.","Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation","ACS Catalysis","2021","","","3190","3197","10.1021/acscatal.1c00282","","x-ray","1.54184","CuKα","","0.0588","0.056","","","0.146","0.1483","","","","","","1.039","","","","has coordinates,has disorder","262278","2021-02-26","22:26:11",""
"4518589","5.0288","0.0002","35.8475","0.0013","25.5419","0.0009","90","","91.426","0.004","90","","4603","0.3","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H37 N3 O6 -","- C58 H37 N3 O6 -","- C232 H148 N12 O24 -","4","1","","Gupta, Abhishek Kumar; Li, Wenbo; Ruseckas, Arvydas; Lian, Cheng; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Samuel, Ifor D. W.; Zysman-Colman, Eli","Thermally Activated Delayed Fluorescence Emitters with Intramolecular Proton Transfer for High Luminance Solution-Processed Organic Light-Emitting Diodes","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c02248","","x-ray","0.71073","MoKα","","0.0941","0.0681","","","0.1743","0.186","","","","","","1.05","","","","has coordinates","263452","2021-03-30","21:14:06",""
"4518625","26.339","0.012","8.38","0.004","17.649","0.009","90","","124.36","0.02","90","","3216","3","273","2","273.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H30 Fe O3 P2 Pd -","- C38 H30 Fe O3 P2 Pd -","- C152 H120 Fe4 O12 P8 Pd4 -","4","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.1594","0.1147","","","0.1435","0.1548","","","","","","1.271","","","","has coordinates","264486","2021-04-23","21:31:18",""
"4518711","19.2387","0.0009","12.2869","0.0002","10.5907","0.0005","90","","130.407","0.007","90","","1906.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","1","","Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W.","Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers","ACS Catalysis","2021","","","6357","6362","10.1021/acscatal.1c01457","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0704","0.0708","","","","","","1.057","","","","has coordinates","265185","2021-05-13","21:29:44",""
"4518725","24.1736","0.0007","10.243","0.0003","18.8716","0.0005","90","","121.705","0.001","90","","3975.5","0.2","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","(bis(acetonitrile))cobalt(bis(diphenylphosphinoethane)phenylphosphine)bis(tetrafluoroborate)","","- C38 H39 B2 Co F8 N2 P3 -","- C38 H39 B2 Co F8 N2 P3 -","- C152 H156 B8 Co4 F32 N8 P12 -","4","1","","Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M.","Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes","ACS Catalysis","2021","","","6384","6389","10.1021/acscatal.1c00781","","x-ray","0.71073","MoKα","","0.1077","0.0592","","","0.0982","0.1088","","","","","","1.025","","","","has coordinates,has disorder","265226","2021-05-14","21:24:54",""
"4518888","10.624","0.002","20.878","0.006","16.83","0.004","90","","106.056","0.003","90","","3587.4","1.5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H32 Cl4 Ge Os P2 -","- C35 H32 Cl4 Ge Os P2 -","- C140 H128 Cl16 Ge4 Os4 P8 -","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","","0.032","0.0312","","","0.0757","0.0761","","","","","","0.967","","","","has coordinates,has disorder","267471","2021-07-12","21:43:12",""
"4518890","10.579","0.002","21.025","0.006","16.813","0.004","90","","105.954","0.003","90","","3595.6","1.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H36 Cl4 Os P2 Sn -","- C35 H36 Cl4 Os P2 Sn -","- C140 H144 Cl16 Os4 P8 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","","0.0225","0.0217","","","0.0501","0.0506","","","","","","0.704","","","","has coordinates,has disorder","267471","2021-07-12","21:43:12",""
"4518899","17.5115","0.0007","10.169","0.0004","15.2635","0.0006","90","","112.764","0.001","90","","2506.32","0.17","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H25 F N2 O4 S -","- C29 H25 F N2 O4 S -","- C116 H100 F4 N8 O16 S4 -","4","1","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","K-L~3~","0.0298","0.0267","","","0.0639","0.0663","","","","","","1.044","","","","has coordinates","267619","2021-07-17","21:30:59",""
"4518900","15.1894","0.0006","15.9729","0.0006","15.9472","0.0005","90","","90.194","0.002","90","","3869.1","0.2","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H23 N O2 S -","- C21 H23 N O2 S -","- C168 H184 N8 O16 S8 -","8","2","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","","0.031","0.0281","","","0.0791","0.0821","","","","","","1.055","","","","has coordinates","267621","2021-07-17","21:31:23",""
"4519376","20.3","0.0019","10.543","0.003","15.816","0.002","90","","109.54","0.0012","90","","3190","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H36 F6 N3 P Pd S -","- C32 H36 F6 N3 P Pd S -","- C128 H144 F24 N12 P4 Pd4 S4 -","4","1","","Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara","Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis","ACS Catalysis","2022","12","6","3430","3443","10.1021/acscatal.1c05326","","","0.7","synchrotron","","0.0239","0.0238","","","0.0649","0.0649","","","","","","1.094","","","","has coordinates","274232","2022-04-03","19:18:04",""
"4519476","9.2289","0.0006","17.9408","0.0012","7.3308","0.0005","90","","104.825","0.003","90","","1173.38","0.14","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","5-aminobenzene-1,2,4-triammonium hydrogen disulfate","","- C6 H14 N4 O8 S2 -","- C6 H14 N4 O8 S2 -","- C24 H56 N16 O32 S8 -","4","1","","Johann O. E. Sosoe; Thierry Maris; James D. Wuest","Strongly Hydrogen-Bonded Networks Formed by Sulfate and Bisulfate Salts of Benzenetetramines","Crystal Growth and Design","2023","23","","8865","8874","10.1021/acs.cgd.3c00950","","x-ray","1.34139","GaKα","","0.0302","0.0291","","","0.0742","0.0752","","","","","","0.999","","","","has coordinates,has Fobs","288087","2023-12-06","15:34:50",""
"5000165","16.77","0.03","4.83","0.006","15.85","0.02","90","","115.4","0.1","90","","1159.73","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Haisa, M.; Kashino, S.; Ueno, T.; Shinozaki, N.; Matsuzaki, Y.","The structures of N-aromatic amides: p-acetanisidide, N-2-naphthylacetamide and N-2-fluorenylacetamide","Acta Crystallographica Section B","1980","36","10","2306","2311","10.1107/S0567740880008631","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000188","13.053","0.004","8.724","0.004","4.878","0.003","90","","103.31","0.03","90","","540.56","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C4 H6 O5 -","- C4 H3 O5 -","- C16 H12 O20 -","4","1","","van Loock, J. F. J.; van Havere, M.; Lenstra, A. T. H.","The X-ray-analysis of crystalline DL-malic acid","Bulletin des Societes Chimiques Belges","1981","90","2","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000305","19.5612","0.0019","16.4082","0.0019","7.1526","0.0008","90","","99.61","0.004","90","","2263.5","0.4","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 Br2 N2 Zn -","- C24 H24 Br2 N2 Zn -","- C96 H96 Br8 N8 Zn4 -","4","1","","","","","","","","","","","","","0.71073","MoKα","","0.0342","0.0288","","","0.0613","0.0634","","","","","","1.003","","","","has coordinates","176451","2020-10-21","18:00:00",""
"6000035","12.998","0.002","7.5014","0.0003","15.156","0.003","90","","105.8","0.03","90","","1420.8","0.7","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cs2 O15 Si6 Ti -","- Cs2 O15 Si6 Ti -","- Cs8 O60 Si24 Ti4 -","4","1","","Nyman, M.; Bonhomme, F.; Teter, D. M.; Maxwell, R. S.; Gu, B. X.; Wang, L. M.; Ewing, R. C.; Nenoff, T. M.","Integrated experimental and computational methods for structure determination and characterization of a new, highly stable cesium silicotitanate phase, Cs~2~TiSi~6~O~15~ (SNL-A)","Chemistry of Materials","2000","12","","3449","3458","10.1021/cm000259g","","","","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000470","11.552","","17.168","","8.719","","90","","130.64","","90","","1312.14","","","","","","","","","","","","","5","C 1 c 1","","","","","","- C9 H12 N2 O8 Y -","","","","","","Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.","Three-dimensional yttrium oxalates possessing large channels","Chemistry of Materials","2001","13","","185","191","10.1021/cm000419o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000643","8.12077","0.00004","5.83433","0.00004","9.16005","0.00005","90","","115.809","0.001","90","","390.71","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- N5 P3 -","- N5 P3 -","- N20 P12 -","4","1","","Horstmann, S.; Irran, E.; Schnick, W.","Phosphorus(V) nitride alpha-P3N5: Synthesis starting from tetraaminophosphonium iodide and crystal structure determination by synchrotron powder diffraction","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1998","624","","620","628","10.1002/(SICI)1521-3749(199804)624:4<620::AID-ZAAC620>3.0.CO;2-K","powder diffraction","","0.99963","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:06:00",""
"6000700","11.05","","8.977","","17.859","","90","","100.877","","90","","1739.71","","","","","","","","","","","","","5","C 1 c 1","","","","","","- Ce H8 N5 O19 Rb2 -","","","","","","Audebrand, N.; Auffredic, J. P.; Louer, M.; Guillou, N.; Louer, D.","Temperature-dependent X-ray diffraction and crystal structure of CeRb2(NO3)(5).4H(2)O","Solid State Ionics","1996","84","","323","333","10.1016/0167-2738(96)00082-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000740","6.443","","11.351","","6.414","","90","","108.37","","90","","445.18","","","","","","","","","","","","","3","C 1 c 1","","","","","","- Cu2 Ge S3 -","","","","","","de Chalbaud, L. M.; Delgado, J. M.; Sagredo, V.","X-ray powder diffraction data and structural characterization of Cu2GeS3 and Cu2SnS3","Ternary and Multinary Compounds","1998","152","","151","154","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000741","6.674","","11.584","","6.632","","90","","109.76","","90","","482.54","","","","","","","","","","","","","3","C 1 c 1","","","","","","- Cu2 S3 Sn -","","","","","","de Chalbaud, L. M.; Delgado, J. M.; Sagredo, V.","X-ray powder diffraction data and structural characterization of Cu2GeS3 and Cu2SnS3","Ternary and Multinary Compounds","1998","152","","151","154","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000780","12.847","","7.407","","12.854","","90","","109.82","","90","","1150.7","","","","","","","","","","","","","3","C 1 c 1","","","","","","- Cd4 Ge Se6 -","","","","","","Henao, J. A.; Delgado, J. M.; Quintero, M.","X-ray powder diffraction data and structural study of Cd4GeSe6","Powder Diffraction","1998","13","","202","209","10.1017/S0885715600010113","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000180","10.4185","0.0006","14.8957","0.0006","14.6449","0.0009","90","","93.668","0.003","90","","2268.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H32 Co N8 O2 -","- C19 H32 Co N8 O2 -","- C76 H128 Co4 N32 O8 -","4","1","","Gätjens, Jessica; Mullins, Christopher S.; Kampf, Jeff W.; Thuéry, Pierre; Pecoraro, Vincent L.","Corroborative cobalt and zinc model compounds of α-amino-β-carboxymuconic-ε-semialdehyde decarboxylase (ACMSD)","Dalton Transactions","2009","","1","51","62","10.1039/b809453e","","","0.71073","MoKα","","0.0289","0.0273","","","0.0713","0.0721","","","","","","1.083","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000303","15.216","0.009","14.895","0.008","18.503","0.009","90","","96.77","0.05","90","","4164","4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22.5 H24 Cr2 K5 O35.5 -","- C22.5 Cr2 K5 O35.5 -","- C90 Cr8 K20 O142 -","4","1","","Salidu, Marco; Artizzu, Flavia; Deplano, Paola; Mercuri, Maria Laura; Pilia, Luca; Serpe, Angela; Marchiò, Luciano; Concas, Giorgio; Congiu, Francesco","Self-assembly supramolecular architectures of chromium(III) complexes using croconate as building block","Dalton Transactions","2009","","3","557","563","10.1039/b810216n","","","0.71073","MoKα","","0.2067","0.0867","","","0.1902","0.2243","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7000304","15.216","0.009","14.895","0.008","18.503","0.009","90","","96.77","0.05","90","","4164","4","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","?","- C100 Cr8 K72 O224 -","- C100 Cr8 K72 O224 -","","","","Salidu, Marco; Artizzu, Flavia; Deplano, Paola; Mercuri, Maria Laura; Pilia, Luca; Serpe, Angela; Marchiò, Luciano; Concas, Giorgio; Congiu, Francesco","Self-assembly supramolecular architectures of chromium(III) complexes using croconate as building block","Dalton Transactions","2009","","3","557","563","10.1039/b810216n","","","","","","","","","","","","","","","","","","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000629","19.708","0.004","6.799","0.005","19.461","0.004","90","","116.873","0.005","90","","2326.1","1.8","100","1","100","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H20 Mg3 N2 O20 -","- C16 H20 Mg3 N2 O20 -","- C64 H80 Mg12 N8 O80 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Coordination polymers with pyridine-2,4,6-tricarboxylic acid and alkaline-earth/lanthanide/transition metals: synthesis and X-ray structures","Dalton Transactions","2009","","9","1644","1658","10.1039/b814066a","","","0.71069","MoKα","","0.07","0.0566","","","0.1344","0.1684","","","","","","1.119","","","","has coordinates","179684","2020-10-21","18:00:00",""
"7000658","15.0865","0.0003","17.9907","0.0004","15.2317","0.0003","90","","90.281","0.001","90","","4134.09","0.15","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H31 Ag4 N13 O13 -","- C37 H31 Ag4 N13 O13 -","- C148 H124 Ag16 N52 O52 -","4","1","","Wong, Elizabeth; Li, John; Seward, Corey; Wang, Suning","Cu(i) and Ag(i) complexes of 7-azaindolyl and 2,2′-dipyridylamino substituted 1,3,5-triazine and benzene: the central core impact on structure, solution dynamics and fluorescence of the complexes","Dalton Transactions","2009","","10","1776","1785","10.1039/b814393e","","","0.71073","MoKα","","0.0525","0.0492","","","0.1184","0.1219","","","","","","1.034","","","","has coordinates","179684","2020-10-21","18:00:00",""
"7000758","26.5312","0.0006","13.8357","0.0003","12.6742","0.0003","90","","94.003","0.001","90","","4641.07","0.18","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H36 Cu2 N8 O4 -","- C16 H36 Cu2 N8 O4 -","- C128 H288 Cu16 N64 O32 -","8","2","","Gruenwald, Katrin R.; Kirillov, Alexander M.; Haukka, Matti; Sanchiz, Joaquin; Pombeiro, Armando J. L.","Mono-, di- and polynuclear copper(II) compounds derived from N-butyldiethanolamine: structural features, magnetism and catalytic activity for the mild peroxidative oxidation of cyclohexane","Dalton Transactions","2009","","12","2109","2120","10.1039/b813160k","","","0.71073","MoKα","","0.0447","0.0345","","","0.0692","0.0733","","","","","","1.031","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000800","15.2383","0.0006","23.7826","0.0009","10.3642","0.0004","90","","123.432","0.001","90","","3134.6","0.2","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H44 Br2 N4 Pd2 -","- C28 H44 Br2 N4 Pd2 -","- C112 H176 Br8 N16 Pd8 -","4","1","","Han, Yuan; Huynh, Han Vinh","Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles","Dalton Transactions","2009","","12","2201","2209","10.1039/b816471a","","","0.71073","MoKα","","0.0219","0.0199","","","0.0393","0.0397","","","","","","0.841","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7000912","12.618","0.002","12.557","0.002","39.689","0.004","90","","97.969","0.017","90","","6227.8","1.6","295","2","295","2","","","","","","","","7","C 1 c 1","C -2yc","9","Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''- terpyridine) copper(ii) bis(hexafluorophosphate)","Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine] copper(II) bis(hexafluorophosphate)","","- C60 H62 Cu F12 N6 O12 P2 -","- C60 H62 Cu F12 N6 O12 P2 -","- C240 H248 Cu4 F48 N24 O48 P8 -","4","1","","Logacheva, Nadezhda M.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.; Pyatova, Elena N.; Ivanova, Irina S.; Velikodny, Yurii A.; Chernyshev, Vladimir V.","Ni(II), Co(II), Cu(II), Zn(II) and Na(I) complexes of a hybrid ligand 4′-(4‴-benzo-15-crown-5)-methyloxy-2,2′:6′,2″-terpyridine","Dalton Transactions","2009","","14","2482","2489","10.1039/b819805e","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.7504","","","","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7001120","8.9056","0.0003","24.7652","0.0005","15.04568","0.00013","90","","91.169","0.001","90","","3317.62","0.13","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H50 N4 O10 Pd2 S -","- C24 H50 N4 O10 Pd2 S -","- C96 H200 N16 O40 Pd8 S4 -","4","1","","Kruithof, Cornelis A.; Berger, Alexsandro; Dijkstra, Harmen P.; Soulimani, Fouad; Visser, Tom; Lutz, Martin; Spek, Anthony L.; Gebbink, Robertus J. M. Klein; van Koten, Gerard","Sulfato-bridged ECE-pincer palladium(ii) complexes: structures in the solid-state and in solution, and catalytic properties","Dalton Transactions","2009","","17","3306","3314","10.1039/b816936e","","","0.71073","MoKα","","0.0385","0.0378","","","0.1118","0.1125","","","","","","1.088","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001142","15.597","0.003","14.069","0.005","23.37","0.008","90","","106.072","0.005","90","","4928","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H46 Ag3 N13 O10 S2 -","- C36 H46 Ag3 N13 O10 S2 -","- C144 H184 Ag12 N52 O40 S8 -","4","1","","Wu, Hua; Dong, Xian-Wu; Ma, Jian-Fang; Liu, Hai-Yan; Yang, Jin; Bai, Hong-Ye","Influence of anionic sulfonate-containing and nitrogen-containing mixed-ligands on the structures of silver coordination polymers","Dalton Transactions","2009","","17","3162","3174","10.1039/b814942a","","","0.71069","MoKα","","0.199","0.0626","","","0.1388","0.1733","","","","","","0.815","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001221","10.277","0.004","31.887","0.009","14.738","0.007","90","","104.333","0.009","90","","4679","3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C43 H46 Cl4 N5 O3 P2 Ru S2 -","- C43 H42 Cl4 N5 O3 P2 Ru S2 -","- C172 H168 Cl16 N20 O12 P8 Ru4 S8 -","4","1","","Delferro, Massimiliano; Marchiò, Luciano; Tegoni, Matteo; Tardito, Saverio; Franchi-Gazzola, Renata; Lanfranchi, Maurizio","Synthesis, structural characterisation and solution chemistry of ruthenium(III) triazole-thiadiazine complexes","Dalton Transactions","2009","","19","3766","3773","10.1039/b823271g","","","0.71073","MoKα","","0.1366","0.0459","","","0.056","0.0707","","","","","","0.688","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001234","12.927","0.003","6.5566","0.0013","9.667","0.0019","90","","116.48","0.03","90","","733.4","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Fe4 H2 O10 P2 -","- Fe4 O10 P2 -","- Fe16 O40 P8 -","4","1","","Redrup, Kate V.; Weller, Mark T.","Synthesis and crystal structures of iron hydrogen phosphates","Dalton Transactions","2009","","19","3786","3792","10.1039/b902519g","","","0.71073","MoKα","","0.1112","0.0674","","","0.134","0.1582","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001284","16.254","0.003","11.992","0.003","10.771","0.002","90","","102.288","0.003","90","","2051.4","0.7","203","2","203","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(η^4^-cycloocta-1,5-diene){N-(o-tolyl)-2-oxo-1-naphthaldiminato -K^2^N,O}rhodium(I)","","- C26 H26 N O Rh -","- C26 H26 N O Rh -","- C104 H104 N4 O4 Rh4 -","4","1","","Janiak, Christoph; Chamayou, Anne-Christine; Royhan Uddin, A. K. M.; Uddin, Mohammad; Hagen, Karl S.; Enamullah, Mohammed","Polymorphs, enantiomorphs, chirality and helicity in [Rh{N,O}(η4-cod)] complexes with {N,O} = salicylaldiminato Schiff base or aminocarboxylato ligands","Dalton Transactions","2009","","19","3698","3709","10.1039/b820072f","","","0.71073","MoKα","","0.0609","0.0425","","","0.0959","0.1045","","","","","","1.004","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001429","17.3179","0.0014","20.8626","0.0017","8.4199","0.0007","90","","93.319","0.002","90","","3037","0.4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H45 O3 Y -","- C33 H45 O3 Y -","- C132 H180 O12 Y4 -","4","1","","Mills, David P.; Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Liddle, Stephen T.","Synthesis and reactivity of the yttrium-alkyl-carbene complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})","Dalton Transactions","2009","","23","4547","4555","10.1039/b902079a","","","0.71073","MoKα","","0.0282","0.025","","","0.0575","0.0587","","","","","","1.015","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001436","9.3987","0.0003","18.6282","0.0007","19.6314","0.0008","90","","94.126","0.002","90","","3428.2","0.2","173","2","173","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C34 H44 N4 S2 Sn -","- C34 H44 N4 S2 Sn -","- C136 H176 N16 S8 Sn4 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Pierssens, Luc J.-M.; Protchenko, Andrey V.; Uiterweerd, Patrick G. H.","Synthesis and characterisation of twelve SnIV diaryls and formation of a SnIII triaryl","Dalton Transactions","2009","","23","4578","4585","10.1039/b820835b","","x-ray","0.71073","MoKα","","0.0363","0.0311","","","0.065","0.0677","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7001442","22.0824","0.0002","21.9992","0.0002","35.3834","0.0003","90","","90.115","0.001","90","","17189","0.3","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C146.75 H202.75 Cl8.25 Co8 Fe8 N16 O36 -","- C146.75 H202.75 Cl8.25 Co8 Fe8 N16 O36 -","- C587 H811 Cl33 Co32 Fe32 N64 O144 -","4","1","","Kühnert, J.; Rüffer, T.; Ecorchard, P.; Bräuer, B.; Lan, Y.; Powell, A. K.; Lang, H.","Reaction chemistry of 1,1′-ferrocene dicarboxylate towards M(ii) salts (M = Co, Ni, Cu): solid-state structure and electrochemical, electronic and magnetic properties of bi- and tetrametallic complexes and coordination polymers","Dalton Transactions","2009","","23","4499","4508","10.1039/b821407g","","","1.54184","CuKα","","0.0705","0.0589","","","0.1487","0.1583","","","","","","1.01","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001627","19.664","0.001","11.6115","0.0006","15.4412","0.0008","90","","127.789","0.001","90","","2786.2","0.3","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H3 F21 Ge2 N6 O3 S -","- C16 H3 F21 Ge2 N6 O3 S -","- C64 H12 F84 Ge8 N24 O12 S4 -","4","1","","Krummenacher, Ivo; Fernández, Ignacio; Rüegger, Heinz; Weigend, Florian; Breher, Frank","Neutral and cationic main group element cages of germanium(ii) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations","Dalton Transactions","2009","","27","5335","5347","10.1039/b901711a","","","0.71073","MoKα","","0.0269","0.0262","","","0.0681","0.0685","","","","","","1.032","","","","has coordinates,has disorder","179714","2020-10-21","18:00:00",""
"7001704","49.267","0.004","11.0373","0.001","19.4584","0.0016","90","","100.375","0.002","90","","10408","1.5","223","2","223","2","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C94 H79 Cl9 F9 N2 Na O13 P4 Pt2 S3 -","- C94 H79 Cl9 F9 N2 Na O13 P4 Pt2 S3 -","- C376 H316 Cl36 F36 N8 Na4 O52 P16 Pt8 S12 -","4","1","","Teo, Peili; Koh, L. L.; Hor, T. S. Andy","Na+ and Ca2+ ion selective pyridylcarboxylate rings of Pd(II) and Pt(II)","Dalton Transactions","2009","","29","5637","","10.1039/b821379h","","","0.71073","MoKα","","0.105","0.0864","","","0.1806","0.1879","","","","","","1.092","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001927","38.437","0.006","14.532","0.002","20.864","0.003","90","","112.921","0.003","90","","10734","3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H74 F2 N4 O3 Ru -","- C56 F2 N4 O3 Ru -","- C448 F16 N32 O24 Ru8 -","8","2","","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","","0.1174","0.0855","","","0.2243","0.2522","","","","","","1.014","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7001958","18.6624","0.0003","15.6085","0.0002","16.6277","0.0003","90","","90.01","0.0006","90","","4843.52","0.13","150","","150","","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C51 H61 Cl2 F6 Ir N3 P -","- C51 H61 Cl2 F6 Ir N3 P -","- C204 H244 Cl8 F24 Ir4 N12 P4 -","4","1","","Dastgir, Sarim; Coleman, Karl S.; Cowley, Andrew R.; Green, Malcolm L. H.","Stable crystalline annulated diaminocarbenes: coordination with rhodium(i), iridium(i) and catalytic hydroformylation studies","Dalton Transactions","2009","","35","7203","","10.1039/b905729c","","","0.71073","MoKα","","0.045","0.0378","","0.0525","0.0423","0.0423","","","","","","1.1069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002453","21.4849","0.0005","9.0569","0.0002","25.517","0.0006","90","","90.426","0.001","90","","4965.1","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H26 Al Cl4 N5 -","- C22 H26 Al Cl4 N5 -","- C176 H208 Al8 Cl32 N40 -","8","2","","Chen, I-Chun; Ho, Shi-Mau; Chen, Ya-Chi; Lin, Che-Yu; Hu, Ching-Han; Tu, Cheng-Yi; Datta, Amitabha; Huang, Jui-Hsien; Lin, Chia-Her","Deprotonation and reductive addition reactions of hypervalent aluminium dihydride compounds containing substituted pyrrolyl ligands with phenols, ketones, and aldehydes","Dalton Transactions","2009","","40","8631","8643","10.1039/b908164j","","","0.71073","MoKα","","0.0367","0.029","","","0.0655","0.0679","","","","","","1.044","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002820","15.6096","0.0007","24.6816","0.0015","28.02","0.0013","90","","101.043","0.005","90","","10595.4","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H106 Cl4 Mn4 N18 O24 -","- C96 H106 Cl4 Mn4 N18 O24 -","- C384 H424 Cl16 Mn16 N72 O96 -","4","1","","Berggren, Gustav; Thapper, Anders; Huang, Ping; Kurz, Philipp; Eriksson, Lars; Styring, Stenbjörn; Anderlund, Magnus F.","Two tetranuclear Mn-complexes as biomimetic models of the oxygen evolving complex in Photosystem II. A synthesis, characterisation and reactivity study","Dalton Transactions","2009","","45","10044","10054","10.1039/b906175d","","","0.71073","MoKα","","0.2124","0.0675","","","0.1427","0.1761","","","","","","0.806","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7002925","21.403","0.004","7.6345","0.0015","15.866","0.003","90","","126.747","0.003","90","","2077.4","0.7","153","2","153","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15 H20 Cl2 F5 Ga O Si -","- C15 H20 Cl2 F5 Ga O Si -","- C60 H80 Cl8 F20 Ga4 O4 Si4 -","4","1","","Uhl, Werner; Claesener, Michael; Hepp, Alexander; Jasper, Beate; Vinogradov, Andrej; van Wüllen, Leo; Köster, Thomas K.-J.","The influence of halogen substituents on the course of hydrogallation and hydroalumination reactions","Dalton Transactions","2009","","47","10550","10562","10.1039/b913568e","","","0.71073","MoKα","","0.0256","0.0242","","","0.0588","0.0594","","","","","","1.041","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7003186","16.5326","0.0004","9.4427","0.0002","16.797","0.0005","90","","101.214","0.001","90","","2572.16","0.11","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C18 H42 I2 N3 P -","- C18 H42 I2 N3 P -","- C72 H168 I8 N12 P4 -","4","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reactions of alkylamino substituted phosphines with I2 and (Ph2Se2I2)2: structural features of alkylamino phosphonium cations","Dalton Transactions","2008","","10","1346","1354","10.1039/b713640d","","x-ray","0.71073","MoKα","","0.0735","0.056","","","0.1284","0.1445","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7003420","10.1314","0.0004","25.1148","0.0011","8.8636","0.0004","90","","90.957","0.001","90","","2255.01","0.17","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H29 Al Cl5 P3 -","- C12 H29 Al Cl5 P3 -","- C48 H116 Al4 Cl20 P12 -","4","1","","Dillon, Keith B.; Goeta, Andrés E.; Howard, Judith A. K.; Monks, Philippa K.; Shepherd, Helena J.; Thompson, Amber L.","Alkyl and aryl dicationic derivatives of cyclic triphosphenium ions","Dalton Transactions","2008","","9","1144","1149","10.1039/b716027e","","","0.71073","MoKα","","0.0381","0.0359","","","0.0789","0.0795","","","","","","1.189","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003421","10.3722","0.0003","25.165","0.0008","8.8229","0.0003","90","","90.502","0.001","90","","2302.83","0.13","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H31 Al Cl5 P3 -","- C13 H31 Al Cl5 P3 -","- C52 H124 Al4 Cl20 P12 -","4","1","","Dillon, Keith B.; Goeta, Andrés E.; Howard, Judith A. K.; Monks, Philippa K.; Shepherd, Helena J.; Thompson, Amber L.","Alkyl and aryl dicationic derivatives of cyclic triphosphenium ions","Dalton Transactions","2008","","9","1144","1149","10.1039/b716027e","","","0.71073","MoKα","","0.0399","0.0331","","","0.0742","0.0774","","","","","","1.071","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003498","14.675","0.008","9.636","0.004","13.262","0.006","90","","97.17","0.02","90","","1860.7","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H36 N8 O10 Zn2 -","- C36 H36 N8 O10 Zn2 -","- C72 H72 N16 O20 Zn4 -","2","0.5","","Wei, Guo-Hua; Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Li, Shun-Li; Zhang, Lai-Ping","Syntheses, structures and luminescent properties of zinc(ii) and cadmium(ii) coordination complexes based on new bis(imidazolyl)ether and different carboxylate ligands","Dalton Transactions","2008","","23","3080","3092","10.1039/b716657e","","","0.71069","MoKα","","0.0305","0.0267","","","0.06","0.0617","","","","","","1.018","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003517","10.6765","0.0012","16.466","0.002","14.271","0.0016","90","","105.003","0.008","90","","2423.3","0.5","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tetrafluoro(1,2-bis(diphenylphosphino)ethane)germanium(IV)","Tetrafluoro(1,2-bis(diphenylphosphino)ethane)germanium(IV)","","- C26 H24 F4 Ge P2 -","- C26 H24 F4 Ge P2 -","- C104 H96 F16 Ge4 P8 -","4","1","","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","","0.0233","0.0223","","","0.0538","0.0544","","","","","","1.05","","","","has coordinates","179739","2020-10-21","18:00:00",""
"7003677","22.2314","0.001","17.8315","0.0013","24.0291","0.0011","90","","102.936","0.004","90","","9283.8","0.9","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C72 H128 Au2 B24 N2 Na2 O15 P2 -","- C72 H128 Au2 B24 N2 Na2 O15 P2 -","- C288 H512 Au8 B96 N8 Na8 O60 P8 -","4","1","","Kirchmann, Marius; Wesemann, Lars","η1 and η2 Coordination of 1-amino-closo-dodecaborate","Dalton Transactions","2008","","16","2144","2148","10.1039/b718569c","","","0.71073","MoKα","","0.0544","0.0478","","","0.112","0.1177","","","","","","1.052","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003712","15.5704","0.0006","9.2138","0.0004","15.2599","0.0007","90","","107.608","0.003","90","","2086.66","0.16","150","1","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H27 B Fe O P2 -","- C21 H27 B Fe O P2 -","- C84 H108 B4 Fe4 O4 P8 -","4","1","","Lee, Kajin; Clark, Timothy J.; Lough, Alan J.; Manners, Ian","Synthesis and dehydrocoupling reactivity of iron and ruthenium phosphine‒borane complexes","Dalton Transactions","2008","","20","2732","2740","10.1039/b718918d","","","0.71073","MoKα","","0.0733","0.0443","","","0.0774","0.0886","","","","","","1.042","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003892","11.9011","0.0009","19.2576","0.0014","23.5739","0.0017","90","","95.015","0.002","90","","5382.1","0.7","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62 H74 B2 F Hg N3 S -","- C62 H74 B2 F Hg N3 S -","- C248 H296 B8 F4 Hg4 N12 S4 -","4","1","","Dorsey, Christopher L.; Jewula, Pawel; Hudnall, Todd W.; Hoefelmeyer, James D.; Taylor, Thomas J.; Honesty, Nicole R.; Chiu, Ching-Wen; Schulte, Marcus; Gabbaï, François P.","Fluoride ion complexation by a B2/Hg heteronuclear tridentate lewis acid","Dalton Transactions","2008","","33","4442","4450","10.1039/b801040d","","","0.71073","MoKα","","0.0483","0.0394","","","0.0907","0.0952","","","","","","1.035","","","","has coordinates","179742","2020-10-21","18:00:00",""
"7004069","7.1828","0.0014","31.617","0.006","8.3874","0.0017","90","","96.45","0.03","90","","1892.7","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H30 B9 N -","- C13 H29 B9 N -","- C52 H116 B36 N4 -","4","1","","Dymon, John; Wibby, Ryan; Kleingardner, Jesse; Tanski, Joseph M.; Guzei, Ilia A.; Holbrey, John D.; Larsen, Anna S.","Designing ionic liquids with boron cluster anions: alkylpyridinium and imidazolium [nido-C2B9H11] and [closo-CB11H12] carborane salts","Dalton Transactions","2008","","22","2999","3006","10.1039/b802374c","","","0.71073","Mo-Kα","","0.0803","0.0515","","","0.1213","0.135","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004108","9.967","0.0012","35.17","0.003","15.151","0.003","90","","107.658","0.002","90","","5060.8","1.3","113","2","113","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H43 Br Co2 N8 O12 -","- C54 H43 Br Co2 N8 O12 -","- C216 H172 Br4 Co8 N32 O48 -","4","1","","Lin, Zhuojia; Li, Yang; Slawin, Alexandra M. Z.; Morris, Russell E.","Hydrogen-bond-directing effect in the ionothermal synthesis of metal coordination polymers","Dalton Transactions","2008","","30","3989","3994","10.1039/b802892c","","","0.71073","MoKα","","0.0735","0.0503","","","0.0792","0.0876","","","","","","0.918","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004138","47.271","0.01","21.174","0.004","16.663","0.003","90","","107.54","0.03","90","","15903","6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C124 H278 Ga14 O Si10 -","- C124 H278 Ga14 O Si10 -","- C496 H1112 Ga56 O4 Si40 -","4","1","","Linti, Gerald; Seifert, Annekathrin","A decagallane(6) cluster Ga10[Si(CMe3)3]6 with an unprecedented structure","Dalton Transactions","2008","","28","3688","3693","10.1039/b802959h","","x-ray","0.71073","MoKα","","0.0697","0.0462","","","0.0954","0.101","","","","","","0.883","","","","has coordinates,has disorder","179745","2020-10-21","18:00:00",""
"7004146","13.6282","0.0004","18.4465","0.0005","22.9362","0.0008","90","","101.044","0.001","90","","5659.2","0.3","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H59 Cl3 N16 Ni2 O21 -","- C40 H59 Cl3 N16 Ni2 O21 -","- C160 H236 Cl12 N64 Ni8 O84 -","4","1","","Lee, Way-Zen; Tseng, Huan-Sheng; Ku, Meng-Yu; Kuo, Ting-Shen","Dinickel complexes of disubstituted benzoate polydentate ligands: mimics for the active site of urease","Dalton Transactions","2008","","19","2538","2541","10.1039/b803094b","","","0.7107","MoKα","","0.0761","0.0598","","","0.1547","0.1825","","","","","","1.129","","","","has coordinates,has disorder","198676","2020-10-21","18:00:00",""
"7004309","10.8842","0.0016","18.437","0.003","7.0724","0.001","90","","111.218","0.002","90","","1323","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H10 N2 O5 Pb -","- C12 H10 N2 O5 Pb -","- C48 H40 N8 O20 Pb4 -","4","1","","Aslani, Alireza; Morsali, Ali; Zeller, Matthias","Dynamic crystal-to-crystal conversion of a 3D‒3D coordination polymer by de- and re-hydration","Dalton Transactions","2008","","38","5173","5177","10.1039/b805367g","","","0.71073","MoKα","","0.0231","0.0206","","","0.0426","0.0443","","","","","","0.845","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004352","11.809","0.002","18.114","0.004","20.703","0.004","90","","95.88","0.03","90","","4405.2","1.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H40 Ag3 N6 O14.5 S3 -","- C40 H37 Ag3 N6 O14.5 S3 -","- C160 H148 Ag12 N24 O58 S12 -","4","1","","Wu, Hua; Dong, Xian-Wu; Liu, Hai-Yan; Ma, Jian-Fang; Li, Shun-Li; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of anionic sulfonate-containing co-ligands on the solid structures of silver complexes supported by 4,4′-bipyridine bridges","Dalton Transactions","2008","","39","5331","5341","10.1039/b806195e","","","0.71073","MoKα","","0.0321","0.0306","","","0.0816","0.0826","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004362","22.058","0.003","16.561","0.003","12.834","0.002","90","","126.38","0.019","90","","3774.5","1.4","100","","100","","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C31 H34 F12 N5 O4 P3 Ru -","- C31 H34 F12 N5 O4 P3 Ru -","- C124 H136 F48 N20 O16 P12 Ru4 -","4","1","","Dixon, Isabelle M.; Lebon, Emilie; Loustau, Gilles; Sutra, Pierre; Vendier, Laure; Igau, Alain; Juris, Alberto","Broad HOMO‒LUMO gap tuning through the coordination of a single phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core","Dalton Transactions","2008","","41","5627","5635","10.1039/b806325g","","","0.71073","MoKα","","0.0502","0.0384","","","0.0808","0.0831","","","","","","1.003","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004468","10.3034","0.0007","27.1454","0.0013","15.3875","0.0011","90","","94.071","0.007","90","","4292.9","0.5","293","2","293","2","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C47 H42 Cl Cu N4 O7 P2 -","- C47 H42 Cl Cu N4 O7 P2 -","- C188 H168 Cl4 Cu4 N16 O28 P8 -","4","1","","Hueso-Ureña, Francisco; Jiménez-Pulido, Sonia B.; Fernández-Liencres, Maria P.; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N.","A new five-coordinated CuIP2NO2 system: XRD structure of 6-acetyl-1,3,7-trimethyl-pteridine-2,4(1H,3H)-dione and its Cu(i) (N5,O61,O4)-tridentate complex with triphenylphosphine. An AIM study of the nature of metal‒ligand bonds","Dalton Transactions","2008","","45","6461","6466","10.1039/b807634k","","x-ray","0.71073","MoKα","","0.1652","0.0717","","","0.1701","0.2229","","","","46.652","46.652","1.049","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004676","8.4325","0.0003","25.183","0.001","11.7383","0.0005","90","","106.45","0.002","90","","2390.66","0.16","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H38 Li2 N4 P2 -","- C18 H38 Li2 N4 P2 -","- C72 H152 Li8 N16 P8 -","4","1","","Edge, Ruth; Less, Robert J.; Naseri, Vesal; McInnes, Eric J. L.; Mulvey, Robert E.; Wright, Dominic S.","A mechanistic study of the C‒P bond cleavage reaction of 1,2-(PH2)2-C6H4 with nBuLi/Sb(NMe2)3","Dalton Transactions","2008","","45","6454","6460","10.1039/b810028d","","","0.71073","MoKα","","0.0552","0.0439","","","0.0944","0.1019","","","","","","1.083","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7004730","11.9135","0.0005","5.1626","0.0002","8.676","0.0003","90","","93.824","0.004","90","","532.43","0.04","100","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C N5 O2 Rb -","- C N5 O2 Rb -","- C4 N20 O8 Rb4 -","4","1","","Klapötke, Thomas M.; Sabaté, Carles Miró; Welch, Jan M.","Alkali metal 5-nitrotetrazolate salts: prospective replacements for service lead(ii) azide in explosive initiators","Dalton Transactions","2008","","45","6372","6380","10.1039/b811410b","","x-ray","0.71073","MoKα","","","0.0225","","","","0.0493","","","","","","1.031","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004750","42.2425","0.0005","9.1394","0.0001","27.5009","0.0003","90","","118.187","0.0007","90","","9358.17","0.19","173","","173","","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C40 H30 Br2 F12 N8 O4 P2 Ru S2 -","- C40 H30 Br2 F12 N8 O4 P2 Ru S2 -","- C320 H240 Br16 F96 N64 O32 P16 Ru8 S16 -","8","2","","Constable, Edwin C.; Figgemeier, Egbert; Housecroft, Catherine E.; Kokatam, Swarna Latha; Medlycott, Elaine A.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Wiring terpyridine: approaches to alkynylthienyl 2,2′:6′,2″-terpyridines","Dalton Transactions","2008","","47","6752","6762","10.1039/b811747k","","","0.71073","MoKα","","0.0534","0.0439","","0.057","0.048","0.048","","","","","","1.0693","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004842","18.243","0.004","10.0941","0.0016","14.012","0.0015","90","","116.552","0.003","90","","2308.1","0.7","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H28 B Cl N6 O W -","- C20 H28 B Cl N6 O W -","- C80 H112 B4 Cl4 N24 O4 W4 -","4","1","","Adams, Christopher J.; Bartlett, Ian M.; Carlton, Susannah; Connelly, Neil G.; Harding, David J.; Hayward, Owen D.; Orpen, A. Guy; Patron, Elena; Ray, Christopher D.; Rieger, Philip H.","The d4/d3 redox pairs [MX(CO)(eta-RC[triple bond, length as m-dash]CR)Tp']z (z=0 and 1): structural consequences of electron transfer and implications for the inverse halide order.","Dalton transactions (Cambridge, England : 2003)","2007","","1","62","72","10.1039/b611472e","","","0.71073","MoKα","","0.0363","0.0265","","","0.0437","0.0457","","","","","","0.923","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7005043","8.3937","0.0016","27.97","0.006","10.273","0.002","90","","102.069","0.015","90","","2358.5","0.8","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H36 Cl3 Cu2 N4 O2 -","- C18 H36 Cl3 Cu2 N4 O2 -","- C72 H144 Cl12 Cu8 N16 O8 -","4","1","","Silversides, Jon D.; Allan, Cheryll C.; Archibald, Stephen J.","Copper(II) cyclam-based complexes for radiopharmaceutical applications: synthesis and structural analysis.","Dalton transactions (Cambridge, England : 2003)","2007","","9","971","978","10.1039/b615329a","","","0.71073","MoKα","","0.1278","0.0681","","","0.1662","0.1982","","","","","","0.933","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005101","18.7486","0.0007","52.014","0.002","13.1492","0.0005","90","","131.918","0.003","90","","9541.6","0.8","163","2","163","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H128 Cl8 N12 O36 Zn -","- C72 H128 Cl8 N12 O36 Zn -","- C288 H512 Cl32 N48 O144 Zn4 -","4","1","","An, Yan; Lin, Yan-Yong; Wang, Hui; Sun, Hong-Zhe; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan","Cleavage of double-strand DNA by zinc complexes of dicationic 2,2'-dipyridyl derivatives.","Dalton transactions (Cambridge, England : 2003)","2007","","12","1250","1254","10.1039/b616754c","","","1.54178","CuKα","","0.0833","0.0735","","","0.2039","0.2149","","","","","","1.057","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005160","9.885","0.002","45.2","0.009","7.484","0.002","90","","111.043","0.01","90","","3120.9","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","catena-(mu-terephthalato)-(4,4'dipirydine-N,N'oxide)- bis(aquo)cobalt(ii) hexa(aquo)cobalt(ii) terephthalate hydrate","catena-(mu-terephthalato)-(4,4'dipirydine-N,N'oxide)-bis(aquo)cobalt(II) hexa(aquo)cobalt(II) terephthalate hydrate","","- C26 H34 Co2 N2 O19 -","- C26 H34 Co2 N2 O19 -","- C104 H136 Co8 N8 O76 -","4","1","","Manna, Subal Chandra; Zangrando, Ennio; Ribas, Joan; Ray Chaudhuri, Nirmalendu","Cobalt(II)-(dpyo)-dicarboxylate networks: unique H-bonded assembly and rare bridging mode of dpyo in one of them [dpyo = 4,4'-dipyridyl N,N'-dioxide].","Dalton transactions (Cambridge, England : 2003)","2007","","14","1383","1391","10.1039/b617278d","","","0.71073","Mokα","","0.0601","0.0417","","","0.0932","0.0992","","","","","","0.932","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005172","4.329","0.001","12.36","0.002","14.06","0.002","90","","94.51","0.02","90","","750","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","potassium pyrimidine-4,6-dicarboxylate acid","potassium pyrimidine-4,6-dicarboxylate acid","","- C6 H3 K N2 O4 -","- C6 H3 K N2 O4 -","- C24 H12 K4 N8 O16 -","4","1","","Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; García-Terán, Juan P; Román, Pascual","Rational design of 1-D metal-organic frameworks based on the novel pyrimidine-4,6-dicarboxylate ligand. New insights into pyrimidine through magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2669","2680","10.1039/b617348a","","","0.71073","MoKα","","0.0769","0.0341","","","0.0633","0.0686","","","","","","0.757","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005203","31.429","0.003","9.9882","0.0008","16.6318","0.0014","90","","103.333","0.002","90","","5080.3","0.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H74 Cl2 N10 O8 -","- C46 H74 Cl2 N10 O8 -","- C184 H296 Cl8 N40 O32 -","4","1","","Derossi, Sofia; Farrell, David T.; Harding, Charles J.; McKee, Vickie; Nelson, Jane","N-methylation of macrobicycles reduces encapsulation ability.","Dalton transactions (Cambridge, England : 2003)","2007","","18","1762","1772","10.1039/B617907J","","","0.71073","MoKα","","0.0965","0.0438","","","0.0969","0.1233","","","","","","0.987","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7005212","16.222","0.008","13.12","0.006","10.932","0.009","90","","127.88","0.06","90","","1836","2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H16 Cl3 N O Pt S -","- C16 H16 Cl3 N O Pt S -","- C64 H64 Cl12 N4 O4 Pt4 S4 -","4","1","","Capapé, Alejandro; Crespo, Margarita; Granell, Jaume; Font-Bardía, Mercè; Solans, Xavier","A comparative study of the structures and reactivity of cyclometallated platinum compounds of N-benzylidenebenzylamines and cycloplatination of a primary amine.","Dalton transactions (Cambridge, England : 2003)","2007","","20","2030","2039","10.1039/b618128g","","","0.71073","MoKα","","0.0369","0.0342","","","0.0811","0.0822","","","","","","1.1","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005350","9.685","0.002","13.321","0.003","12.691","0.003","90","","94.34","0.002","90","","1632.6","0.6","113.1","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H15 I2 N4 O2 Rh -","- C11 H15 I2 N4 O2 Rh -","- C44 H60 I8 N16 O8 Rh4 -","4","1","","Fujihara, Tetsuaki; Obora, Yasushi; Tokunaga, Makoto; Tsuji, Yasushi","Rhodium(III) complexes with a bidentate N-heterocyclic carbene ligand bearing flexible dendritic frameworks.","Dalton transactions (Cambridge, England : 2003)","2007","","16","1567","1569","10.1039/b701104k","","","0.7107","MoKα","","","0.0192","","","","0.0591","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005565","17.895","0.0004","8.7368","0.0002","24.0711","0.0006","90","","105.98","0.0009","90","","3617.96","0.15","173","","173","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C30 H47 Cl Cu F3 N7 O3 S -","- C30 H47 Cl Cu F3 N7 O3 S -","- C120 H188 Cl4 Cu4 F12 N28 O12 S4 -","4","1","","Petrovic, Dejan; Bannenberg, Thomas; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Synthesis and reactivity of copper(I) complexes containing a bis(imidazolin-2-imine) pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","26","2812","2822","10.1039/b703183a","","","0.71073","MoKα","","0.0479","0.0406","","","0.0916","0.0957","","","","","","1.026","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005693","9.024","0.0006","13.3493","0.0009","15.3487","0.0011","90","","95.272","0.002","90","","1841.1","0.2","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H24 Cl Co N6 O10 -","- C11 H24 Cl Co N6 O10 -","- C44 H96 Cl4 Co4 N24 O40 -","4","1","","Broge, Louise; Søtofte, Inger; Jensen, Kristian; Jensen, Nicolai; Pretzmann, Ulla; Springborg, Johan","Bowl adamanzanes‒bicyclic tetraamines: syntheses and crystal structures of complexes with cobalt(III) and chelating coordinated oxo-anions.","Dalton transactions (Cambridge, England : 2003)","2007","","34","3826","3839","10.1039/b704451h","","","0.71073","MoKα","","0.0383","0.0367","","","0.0888","0.0898","","","","","","1.047","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005755","7.513","","18.803","","8.653","","90","","99.12","","90","","1206.93","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C7 H16 B9 N -","- C7 H16 B9 N -","- C28 H64 B36 N4 -","4","1","","Viñas, Clara; Laromaine, Anna; Teixidor, Francesc; Horáková, Hana; Langauf, Ales; Vespalec, Radim; Mata, Ignasi; Molins, Elies","Synthesis and investigation of the boron cluster anion [7-(2'-pyridyl)-7,8-nido-dicarbaundecaborate] and its protonated form.","Dalton transactions (Cambridge, England : 2003)","2007","","31","3369","3377","10.1039/b705160c","","","0.71073","MoKα","","0.1419","0.0505","","","0.1159","0.1381","","","","","","1.043","","","","has coordinates","179761","2020-10-21","18:00:00",""
"7005890","7.617","0.005","9.23","0.006","7.05","0.005","90","","115.92","0.006","90","","445.8","0.5","93","2","93","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- N2 O S3 -","- N2 O S3 -","- N8 O4 S12 -","4","1","","Tersago, Karla; Matuska, Vit; Van Alsenoy, Christian; Slawin, Alexandra M. Z.; Woollins, J. Derek; Blockhuys, Frank","Structure, bonding, aromaticity and reactivity of Roesky's sulfoxide.","Dalton transactions (Cambridge, England : 2003)","2007","","40","4529","4535","10.1039/b706659g","","","0.71073","MoKα","","0.0229","0.0215","","","0.0533","0.0537","","","","","","1.054","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7005930","21.421","0.004","14.267","0.003","18.226","0.003","90","","106.765","0.003","90","","5333.4","1.7","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C51 H82 Cl2 Ir O2 P3 -","- C51 H82 Cl2 Ir O2 P3 -","- C204 H328 Cl8 Ir4 O8 P12 -","4","1","","Gong, Lei; Wu, Liqiong; Lin, Yumei; Zhang, Hong; Yang, Fangzu; Wen, Tingbin; Xia, Haiping","Synthesis and characterization of a bimetallic iridium complex with a ten sp2-carbon chain bridge","Dalton Transactions","2007","","37","4122","","10.1039/b706900f","","","0.71073","MoKα","","0.0397","0.035","","","0.0897","0.0926","","","","","","1.07","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7005954","14.3048","0.0014","23.8232","0.0014","14.5836","0.001","90","","100.253","0.002","90","","4890.5","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C52 H34 N4 O21 Zn4 -","- C52 H34 N4 O21 Zn4 -","- C208 H136 N16 O84 Zn16 -","4","1","","Chu, Qian; Liu, Guang-Xiang; Huang, Yong-Qing; Wang, Xiao-Feng; Sun, Wei-Yin","Syntheses, structures, and optical properties of novel zinc(ii) complexes with multicarboxylate and N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","38","4302","4311","10.1039/b707159k","","","0.71073","MoKα","","0.0521","0.0505","","","0.1223","0.123","","","","","","0.949","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7005964","14.8977","0.001","20.0088","0.0014","9.9762","0.0007","90","","97.611","0.001","90","","2947.6","0.4","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H52 Cd N8 O7 -","- C20 H50 Cd N8 O7 -","- C80 H200 Cd4 N32 O28 -","4","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3943","3951","10.1039/b707201e","","","0.71073","MoKα","","0.0152","0.0148","","","0.0392","0.0396","","","","","","1.07","","","","has coordinates,has disorder","179763","2020-10-21","18:00:00",""
"7006013","18.8664","0.0008","15.1936","0.0005","15.0136","0.0005","90","","124.062","0.002","90","","3565.3","0.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C41 H37 Ag B N O5 P2 -","- C41 H37 Ag B N O5 P2 -","- C164 H148 Ag4 B4 N4 O20 P8 -","4","1","","Chikkali, Samir H.; Gudat, Dietrich; Lissner, Falk; Nieger, Martin; Schleid, Thomas","Boron templated catechol phosphines as bidentate ligands in silver complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3906","3913","10.1039/b708252e","","","0.71073","MoKα","","0.0715","0.0562","","","0.1217","0.1292","","","","","","1.032","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006014","8.1733","0.0002","43.277","0.001","11.0401","0.0003","90","","94.894","0.002","90","","3890.82","0.17","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H46 B N O4 P2 -","- C44 H46 B N O4 P2 -","- C176 H184 B4 N4 O16 P8 -","4","1","","Chikkali, Samir H.; Gudat, Dietrich; Lissner, Falk; Nieger, Martin; Schleid, Thomas","Boron templated catechol phosphines as bidentate ligands in silver complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3906","3913","10.1039/b708252e","","","0.71073","MoKα","","0.0733","0.0561","","","0.1074","0.114","","","","","","1.048","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006034","10.1191","0.0006","22.0684","0.0007","14.4059","0.0008","90","","103.726","0.003","90","","3125.1","0.3","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H39 I2 P Se Te2 -","- C25 H39 I2 P Se Te2 -","- C100 H156 I8 P4 Se4 Te8 -","4","1","","Hrib, Cristian G.; Jeske, Jörg; Jones, Peter G.; du Mont, Wolf-W","Telluroselenophosphonium ions: their unusual soft-soft interactions with iodotellurate anions.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3483","3485","10.1039/b708370j","","","0.71073","MoKα","","0.0198","0.0182","","","0.0382","0.0385","","","","","","0.995","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006232","49.314","0.01","19.934","0.004","36.554","0.007","90","","127.1","0.03","90","","28660","15","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C252 H363 Ga16 N32 O81.5 -","- C252 H118 Ga16 N32 O81.5 -","- C1008 H472 Ga64 N128 O326 -","4","1","","Park, Mira; John, Rohith P.; Moon, Dohyun; Lee, Kyungjin; Kim, Ghyung Hwa; Lah, Myoung Soo","Two octanuclear gallium metallamacrocycles of topologically different connectivities.","Dalton transactions (Cambridge, England : 2003)","2007","","46","5412","5418","10.1039/b710531b","","","0.7","synchrotron","","0.0732","0.055","","","0.1484","0.1607","","","","","","0.986","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006269","16.6256","0.0001","19.1042","0.0001","13.7346","0.0001","90","","121.243","0.0003","90","","3729.7","0.04","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","Compound 6","","","- C21 H51 B11 Br6 P Rh -","- C16 H39 B11 Br6 P Rh -","- C64 H156 B44 Br24 P4 Rh4 -","4","1","","Molinos, Eduardo; Brayshaw, Simon K.; Kociok-Köhn, Gabrielle; Weller, Andrew S.","Cationic rhodium mono-phosphine fragments partnered with carborane monoanions [closo-CB11H6X6]- (X = H, Br). Synthesis, structures and reactivity with alkenes.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4829","4844","10.1039/b711468k","","","0.71073","MoKα","","0.038","0.033","","","0.0823","0.0845","","","","","","1.046","","","","has coordinates","179766","2020-10-21","18:00:00",""
"7006375","10.2914","0.0016","30.116","0.005","6.6628","0.0011","90","","101.862","0.003","90","","2020.9","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H16 K2 N6 O4 Ru -","- C16 H16 K2 N6 O4 Ru -","- C64 H64 K8 N24 O16 Ru4 -","4","1","","Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.","New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","1","39","50","10.1039/b509042c","","","0.71073","MoKα","","0.1008","0.0548","","","0.1051","0.1191","","","","","","0.903","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006479","20.7418","0.001","13.2726","0.0007","14.9841","0.0007","90","","98.044","0.001","90","","4084.5","0.3","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H33 Ag2 Cl Fe N10 O6 -","- C42 H33 Ag2 Cl Fe2 N10 O6 -","- C168 H132 Ag8 Cl4 Fe8 N40 O24 -","4","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.0436","0.0406","","","0.1119","0.1152","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006480","20.5823","0.0011","13.2444","0.0007","14.9704","0.0008","90","","97.612","0.001","90","","4045","0.4","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H36 Ag2 Fe2 N10 O6 -","- C43 H33 Ag2 Fe2 N10 O6 -","- C172 H132 Ag8 Fe8 N40 O24 -","4","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.042","0.0382","","","0.0914","0.094","","","","","","1.039","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006532","9.5261","0.0007","15.6484","0.0015","14.6607","0.0011","90","","98.876","0.009","90","","2159.3","0.3","183","2","183","2","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-hydrido-nitrosyl-tetrakis(trimethylphosphine)molybdenum(0)","","- C12 H37 Mo N O P4 -","- C12 H36 Mo N O P4 -","- C48 H144 Mo4 N4 O4 P16 -","4","1","","Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz","Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).","Dalton transactions (Cambridge, England : 2003)","2006","","1","73","85","10.1039/b511797f","","","0.71073","MoKα","","0.0469","0.0337","","","0.0709","0.0737","","","","","","0.882","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006560","15.373","0.008","14.399","0.007","14.621","0.009","90","","112.94","0.04","90","","2980","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","Compound 2","","","- C24 H34 Cd2 Cl2 N4 O4 -","- C24 H34 Cd2 Cl2 N4 O4 -","- C96 H136 Cd8 Cl8 N16 O16 -","4","1","","Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.","Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1758","1767","10.1039/b512053e","","","1.54178","CuKα","","0.0489","0.0464","","0.1227","0.1193","","","","1.046","1.062","1.062","","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006585","7.571","0.005","18.245","0.005","23.845","0.005","90","0.005","95.334","0.005","90","0.005","3280","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H30 Cl2 Cu2 N6 O10 -","- C30 H28 Cl2 Cu2 N6 O10 -","- C120 H112 Cl8 Cu8 N24 O40 -","4","1","","Mukherjee, Jhumpa; Mukherjee, Rabindranath","Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1611","1621","10.1039/b512086a","","","0.71069","MoKα","","0.0344","0.0321","","","0.0683","0.0691","","","","","","0.971","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006926","10.5509","0.0003","22.5202","0.0007","7.289","0.0002","90","","109.064","0.0016","90","","1636.94","0.08","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","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","","0.081","0.0511","","0.1411","0.0627","0.0627","","","","","","0.9494","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006973","20.807","0.003","11.012","0.0014","17.781","0.002","90","","94.489","0.002","90","","4061.6","0.9","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H51 Cl2 N5 -","- C44 H51 Cl2 N5 -","- C176 H204 Cl8 N20 -","4","1","","Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A.","Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2350","2361","10.1039/b516083a","","","0.71073","MoKα","","0.097","0.0685","","","0.1853","0.2148","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006999","22.975","0.009","21.168","0.008","10.86","0.004","90","","112.372","0.005","90","","4884","3","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H66 N4 Na2 O4 Si -","- C48 H66 N4 Na2 O4 Si -","- C192 H264 N16 Na8 O16 Si4 -","4","1","","Bai, Sheng-Di; Guo, Jian-Ping; Liu, Dian-Sheng","A convenient route to silyl linked bis(amidinate) ligands and synthesis of group(I) metal derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2244","2250","10.1039/b516283a","","","0.71073","MoKα","","0.0951","0.0732","","","0.1824","0.1981","","","","","","1.067","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7007060","13.172","0.002","13.183","0.002","15.724","0.003","90","","101.47","0.02","90","","2675.9","0.8","203","2","203","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C6 H5 Br Se -","- C6 H5 Br Se -","- C96 H80 Br16 Se16 -","16","4","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.; Sarwar, Shamsa","Reactions of Ph4Se4Br4 with tertiary phosphines. Structural isomerism within a series of R3PSe(Ph)Br compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1517","1523","10.1039/b516784a","","x-ray","0.71073","MoKα","","0.0859","0.0541","","","0.1022","0.1132","","","","","","1.055","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007061","10.1891","0.0004","16.3115","0.0006","14.8944","0.0006","90","","105.165","0.002","90","","2389.24","0.16","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C24 H38 Br P Se -","- C24 H38 Br P Se -","- C96 H152 Br4 P4 Se4 -","4","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.; Sarwar, Shamsa","Reactions of Ph4Se4Br4 with tertiary phosphines. Structural isomerism within a series of R3PSe(Ph)Br compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1517","1523","10.1039/b516784a","","x-ray","0.71073","MoKα","","0.0872","0.0536","","","0.1175","0.1329","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007076","21.172","0.005","17.293","0.009","17.706","0.006","90","","114.1","0.02","90","","5918","4","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H68 B11 N6 P3 Ru Sn -","- C53 H68 B11 N6 P3 Ru Sn -","- C212 H272 B44 N24 P12 Ru4 Sn4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bonding modes of stanna-closo-dodecaborate: eta1(Sn) to eta3(BH) rearrangement reactions in zwitterionic stanna-closo-dodecaborate ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2706","2713","10.1039/b517138e","","","0.71073","MoKα","","0.0412","0.0347","","","0.0838","0.0885","","","","","","1.059","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007116","29.235","0.005","18.748","0.003","32.554","0.006","90","","114.856","0.002","90","","16190","5","135","2","135","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C73 H0 Mn9 N48 O32.8 Re6 -","- C73 Mn9 N48 O32.8 Re6 -","- C292 Mn36 N192 O131.2 Re24 -","4","1","","Freedman, Danna E.; Bennett, Miriam V.; Long, Jeffrey R.","Symmetry-breaking substitutions of [Re(CN)8]3- into the centered, face-capped octahedral clusters (CH3OH)24M9M'6(CN)48 (M = Mn, Co; M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2006","","23","2829","2834","10.1039/b517707c","","","0.71073","MoKα","","0.0787","0.0756","","","0.2143","0.2163","","","","","","1.845","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007117","29.366","0.003","19.029","0.002","32.886","0.004","90","","114.532","0.002","90","","16718","3","178","","178","2","","","","","","","","7","C 1 c 1","C -2yc","9","na","","","- C76.5 H125 Mn9 Mo5.17 N48 O34 Re0.83 -","- C51 Mn6 Mo3.44 N32 O22.6667 Re0.56 -","- C306 Mn36 Mo20.64 N192 O136 Re3.36 -","6","1.5","","Freedman, Danna E.; Bennett, Miriam V.; Long, Jeffrey R.","Symmetry-breaking substitutions of [Re(CN)8]3- into the centered, face-capped octahedral clusters (CH3OH)24M9M'6(CN)48 (M = Mn, Co; M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2006","","23","2829","2834","10.1039/b517707c","","","0.71073","MoKα","","0.1218","0.0904","","","0.2166","0.227","","","","","","1.579","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007118","28.963","0.003","18.8097","0.0017","32.276","0.003","90","","114.586","0.002","90","","15989","3","147","","147","","","","","","","","","7","C 1 c 1","C -2yc","9","na","","","- C75 H124 Co9 Mo4.74 N48 O35 Re1.26 -","- C75 Co9 Mo4.74 N48 O35 Re1.26 -","- C300 Co36 Mo18.96 N192 O140 Re5.04 -","4","1","","Freedman, Danna E.; Bennett, Miriam V.; Long, Jeffrey R.","Symmetry-breaking substitutions of [Re(CN)8]3- into the centered, face-capped octahedral clusters (CH3OH)24M9M'6(CN)48 (M = Mn, Co; M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2006","","23","2829","2834","10.1039/b517707c","","","0.71073","MoKα","","0.1414","0.0932","","","0.2361","0.2673","","","","","","1.178","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007119","29.385","0.004","18.742","0.003","32.641","0.005","90","","114.837","0.003","90","","16314","4","179","","179","","","","","","","","","7","C 1 c 1","C -2yc","9","na","","","- C72.5 H110 Mn9 Mo3.12 N48 O30.5 Re2.88 -","- C72.5 Mn9 Mo3.12 N48 O30.5 Re2.88 -","- C290 Mn36 Mo12.48 N192 O122 Re11.52 -","4","1","","Freedman, Danna E.; Bennett, Miriam V.; Long, Jeffrey R.","Symmetry-breaking substitutions of [Re(CN)8]3- into the centered, face-capped octahedral clusters (CH3OH)24M9M'6(CN)48 (M = Mn, Co; M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2006","","23","2829","2834","10.1039/b517707c","","","0.71073","MoKα","","0.138","0.1031","","","0.2647","0.2925","","","","","","1.213","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007189","12.269","0.003","12.216","0.002","20.572","0.004","90","","99.61","0.03","90","","3040","1.1","340","2","340","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine)iron(ii) diperchlorate (compound 5)","Bis[2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine]iron(II) diperchlorate (compound 5)","","- C24 H22 Cl2 Fe N10 O10 -","- C24 H22 Cl2 Fe N10 O10 -","- C96 H88 Cl8 Fe4 N40 O40 -","4","1","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.126","0.0891","","","0.2082","0.2367","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007190","11.969","0.002","11.986","0.002","20.094","0.004","90","","99.9","0.03","90","","2839.8","0.9","30","2","30","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine)iron(ii) diperchlorate (compound 5)","Bis[2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine]iron(II) diperchlorate (compound 5)","","- C24 H22 Cl2 Fe N10 O10 -","- C24 H22 Cl2 Fe N10 O10 -","- C96 H88 Cl8 Fe4 N40 O40 -","4","1","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.1503","0.1426","","","0.3375","0.3456","","","","","","1.311","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007191","12.052","0.002","12.043","0.002","20.105","0.004","90","","98.66","0.03","90","","2884.8","0.9","30","2","30","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine)iron(ii) diperchlorate (compound 5)","Bis[2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine]iron(II) diperchlorate (compound 5)","","- C24 H22 Cl2 Fe N10 O10 -","- C24 H22 Cl2 Fe N10 O10 -","- C96 H88 Cl8 Fe4 N40 O40 -","4","1","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.1344","0.1289","","","0.311","0.32","","","","","","1.184","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007243","21.4128","0.0008","9.8514","0.0004","18.793","0.0008","90","","100.313","0.003","90","","3900.3","0.3","123","2","123","2","","","","","","","THF","5","C 1 c 1","C -2yc","9","","","","- C42 H54 N4 O3 Sr -","- C42 H54 N4 O3 Sr -","- C168 H216 N16 O12 Sr4 -","4","1","","Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Konstas, Kristina; Junk, Peter C.","Synthesis and structural characterisation of heavy alkaline earth N,N'-bis(aryl)formamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3360","3367","10.1039/b602210c","","x-ray","0.71073","MoKα","","0.1438","0.0605","","","0.1159","0.1494","","","","","","0.872","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007422","21.359","0.0019","12.0195","0.0008","28.954","0.002","90","","97.896","0.01","90","","7362.7","1","213","2","213","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(mu-3-hydroxotricopper(ii)) heptakis(4,4'-bi(1,2,4- triazole)) Decahloride Octahydrate","Bis[mu-3-hydroxotricopper(II)] heptakis[4,4'-bi(1,2,4-triazole)] Decahloride Octahydrate","","- C28 H46 Cl10 Cu6 N42 O10 -","- C28 H30 Cl10 Cu6 N42 O10 -","- C112 H120 Cl40 Cu24 N168 O40 -","4","1","","Lysenko, Andrey B.; Govor, Evgen V.; Krautscheid, Harald; Domasevitch, Konstantin V.","Metal-organic frameworks incorporating Cu3(mu3-OH) clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3772","3776","10.1039/b604804h","","","0.71073","MoKα","","0.0845","0.0757","","","0.1985","0.2019","","","","","","1.098","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007656","8.7087","0.0004","19.9618","0.001","12.885","0.0007","90","","106.842","0.001","90","","2143.87","0.19","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H6 N2 O16 Pb2 U -","- C16 H6 N2 O16 Pb2 U -","- C64 H24 N8 O64 Pb8 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","","0.0239","0.0233","","","0.0521","0.0524","","","","","","1.021","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007768","12.9031","0.0007","14.2839","0.0008","18.0089","0.0011","90","","108.469","0.002","90","","3148.2","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","((L1)Cu(CH3CN))","[(L1)Cu(CH3CN)]","","- C31 H41 Cu F3 N3 -","- C31 H41 Cu F3 N3 -","- C124 H164 Cu4 F12 N12 -","4","1","","Hill, Lyndal M. R.; Gherman, Benjamin F.; Aboelella, Nermeen W.; Cramer, Christopher J.; Tolman, William B.","Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4944","4953","10.1039/b609939d","","","0.71073","MoKα","","0.0356","0.0303","","","0.0694","0.0714","","","","","","1.027","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007816","17.705","0.003","11.6869","0.0015","12.4991","0.001","90","","94.506","0.01","90","","2578.3","0.6","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","tetracarbonyl(1,2-bis((2- dimethylstibinomethyl)phenyl)ethane)tungsten(0)","tetracarbonyl(1,2-bis((2-dimethylstibinomethyl)phenyl)ethane)tungsten(0)","","- C24 H28 O4 Sb2 W -","- C24 H28 O4 Sb2 W -","- C96 H112 O16 Sb8 W4 -","4","1","","Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael","Preparation and coordinating properties of {CH2(o-C6H4CH2SbMe2)}2, a novel wide-angle cis-chelating distibine.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5648","5654","10.1039/b610808c","","","0.71073","MoKα","","0.0254","0.0235","","","0.0489","0.0495","","","","","","1.067","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007905","13.574","0.002","12.052","0.002","14.391","0.002","90","","94.79","0.01","90","","2346.1","0.6","298","2","298","2","","","","","","","","8","C 1 c 1","C -2yc","9","9+","","","- C17 H17 F3 N2 O9 P Re S -","- C17 H17 F3 N2 O9 P Re S -","- C68 H68 F12 N8 O36 P4 Re4 S4 -","4","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.0536","0.0482","","","0.1215","0.1315","","","","","","1.238","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7007980","12.356","0.004","22.688","0.006","15.762","0.007","90","","104.16","0.04","90","","4284","3","203","2","203","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H38 Cl2 F12 Fe N6 Sb2 -","- C32 H38 Cl2 F12 Fe N6 Sb2 -","- C128 H152 Cl8 F48 Fe4 N24 Sb8 -","4","1","","Britovsek, George J. P.; England, Jason; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.","Synthesis of iron(II), manganese(II) cobalt(II) and ruthenium(II) complexes containing tridentate nitrogen ligands and their application in the catalytic oxidation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","945","955","10.1039/b414813d","","","0.71073","MoKα","","0.0459","0.0394","","","0.0942","0.0976","","","","","","1.028","","","","has coordinates,has disorder","179783","2020-10-21","18:00:00",""
"7008089","15.302","0.02","30.255","0.034","32.342","0.037","90","","102.577","0.01","90","","14614","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C66 H67 Fe4 N4 O1.5 S8 Zn2 -","- C66 H60 Fe4 N4 O1.5 S8 Zn2 -","- C528 H480 Fe32 N32 O12 S64 Zn16 -","8","2","","Wong, Wallace W. H.; Curiel, David; Lai, Siu-Wai; Drew, Michael G. B.; Beer, Paul D.","Ditopic redox-active polyferrocenyl zinc(II) dithiocarbamate macrocyclic receptors: synthesis, coordination and electrochemical recognition properties.","Dalton transactions (Cambridge, England : 2003)","2005","","4","774","781","10.1039/b416851h","","","0.71073","MoKα","","0.1977","0.1226","","0.334","0.2843","","","","1.08","1.326","1.326","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008403","20.597","0.005","17.682","0.009","25.858","0.006","90","","96.3","0.02","90","","9361","6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C82 H104 Cl4 N3 O10 P3 S3 -","- C82 H104 Cl4 N3 O10 P3 S3 -","- C328 H416 Cl16 N12 O40 P12 S12 -","4","1","","Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara","Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1847","1851","10.1039/b502358k","","","0.71073","MoKα","","0.1005","0.0739","","","0.1915","0.2141","","","","","","1.004","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008430","8.5738","0.0002","15.1158","0.0003","14.0133","0.0003","90","","96.608","0.001","90","","1804.06","0.07","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H21 Au Br5 P -","- C9 H21 Au Br5 P -","- C36 H84 Au4 Br20 P4 -","4","1","","Schneider, Daniel; Schuster, Oliver; Schmidbaur, Hubert","Bromination of (phosphine)gold(I) bromide complexes: stoichiometry and structure of products.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1940","1947","10.1039/b502861b","","","0.71073","MoKα","","0.0277","0.0274","","","0.0676","0.0679","","","","","","1.081","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008723","15.9891","0.0005","11.2621","0.0003","15.4755","0.0003","90","","104.277","0.002","90","","2700.62","0.12","173","2","173","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C31 H34 Al N2 P -","- C31 H34 Al N2 P -","- C124 H136 Al4 N8 P4 -","4","1","","Mansfield, Natalie E.; Coles, Martyn P.; Hitchcock, Peter B.","Lithium and aluminium complexes supported by chelating phosphaguanidinates.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2833","2841","10.1039/b506332a","","x-ray","0.71073","MoKα","","0.0337","0.0299","","","0.072","0.0743","","","","","","1.014","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008958","20.938","0.004","14.887","0.003","14.372","0.003","90","","127.43","0.03","90","","3557.4","1.9","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H31 Cu2 N14 O15 -","- C26 H31 Cu2 N14 O15 -","- C104 H124 Cu8 N56 O60 -","4","1","","Xu, Zhiqiang; Thompson, Laurence K.; Matthews, Craig J.; Miller, David O.; Goeta, Andrés E.; Wilson, Claire; Howard, Judith A. K.; Ohba, Masaaki; Ōkawa, Hisashi","Dinuclear and tetranuclear copper(II) complexes with bridging (N‒N) diazine ligands: variable magnetic exchange topologies †","Journal of the Chemical Society, Dalton Transactions","2000","","1","69","","10.1039/a907390f","","","0.71073","MoKα","","0.0364","0.0291","","","0.0605","0.0642","","","","","","1.203","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7009078","14.646","0.001","15.501","0.001","15.429","0.001","90","","99.583","0.002","90","","3453.9","0.4","293","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H32 O2 P2 Pb S2 -","- C38 H31 O2 P2 Pb S2 -","- C152 H124 O8 P8 Pb4 S8 -","4","1","","Pérez-Lourido, Paulo; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio; Zheng, Yifan; Dilworth, Jonathan R.; Zubieta, Jon","Lead(II) complexes with phosphorylthiolato and thiophosphorylthiolato ligands","Journal of the Chemical Society, Dalton Transactions","2000","","5","769","","10.1039/a908496g","","","0.71073","MoKα","","0.0371","0.0341","","","0.0884","0.09","","","","","","1.058","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7009079","15.556","0.001","15.612","0.001","15.052","0.001","90","","100.455","0.002","90","","3594.8","0.4","150","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H32 P2 Pb S4 -","- C38 H32 P2 Pb S4 -","- C152 H128 P8 Pb4 S16 -","4","1","","Pérez-Lourido, Paulo; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio; Zheng, Yifan; Dilworth, Jonathan R.; Zubieta, Jon","Lead(II) complexes with phosphorylthiolato and thiophosphorylthiolato ligands","Journal of the Chemical Society, Dalton Transactions","2000","","5","769","","10.1039/a908496g","","","0.71073","MoKα","","0.0497","0.0475","","","0.1164","0.1183","","","","","","1.121","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009080","16.212","0.003","14.4198","0.001","25.146","0.003","90","","92.014","0.014","90","","5874.8","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H54 P4 Pb S6 -","- C64 H54 P4 Pb S6 -","- C256 H216 P16 Pb4 S24 -","4","1","","Pérez-Lourido, Paulo; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio; Zheng, Yifan; Dilworth, Jonathan R.; Zubieta, Jon","Lead(II) complexes with phosphorylthiolato and thiophosphorylthiolato ligands","Journal of the Chemical Society, Dalton Transactions","2000","","5","769","","10.1039/a908496g","","","0.71073","MoKα","","0.0927","0.0362","","0.1003","0.0849","","","","1.035","1.126","1.126","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009146","22.871","0.004","13.852","0.003","18.117","0.003","90","","93.104","0.012","90","","5731.2","1.9","153","2","153","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H80 Cl2 N O4 P Pd -","- C60 H80 Cl2 N O4 P Pd -","- C240 H320 Cl8 N4 O16 P4 Pd4 -","4","1","","Cobley, Christopher J.; Ellis, Dianne D.; Orpen, A. Guy; Pringle, Paul G.","Calix[4]arene derived phosphites: their hydrolytic stability and complexes with gold(I), platinum(II,0), palladium(II) and iridium(I)","Journal of the Chemical Society, Dalton Transactions","2000","","7","1101","","10.1039/a908960h","","","0.71073","MoKα","","0.0459","0.0447","","0.1182","0.1163","","","","1.029","1.024","1.024","","","","","has coordinates,has disorder","179795","2020-10-21","18:00:00",""
"7009418","22.6852","0.0017","16.9553","0.0013","16.2765","0.0012","90","","120.658","0.001","90","","5385.4","0.7","180","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C58 H46 Co F12 N6 O P2 -","- C58 H46 Co F12 N6 O P2 -","- C232 H184 Co4 F48 N24 O4 P8 -","4","1","","Alcock, Nathaniel W.; Barker, Philip R.; Haider, Johanna M.; Hannon, Michael J.; Painting, Claire L.; Pikramenou, Zoe; Plummer, Edward A.; Rissanen, Kari; Saarenketo, Pauli","Red and blue luminescent metallo-supramolecular coordination polymers assembled through π‒π interactions †","Journal of the Chemical Society, Dalton Transactions","2000","","9","1447","","10.1039/b000871k","","","0.71073","MoKα","","0.1714","0.0795","","","0.1555","0.1958","","","","","","0.974","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7009455","17.1284","0.0014","12.0633","0.001","14.6659","0.0008","90","","97.283","0.008","90","","3005.9","0.4","193","2","193","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H35 Co Ge N9 O9 P3 -","- C17 H35 Co Ge N9 O9 P3 -","- C68 H140 Co4 Ge4 N36 O36 P12 -","4","1","","Filippou, Alexander C.; Portius, Peter; Kociok-Köhn, Gabriele; Albrecht, Volker","Oxidation of germanium(II) azides with HN3: a convenient route to six-co-ordinate triazidogermanium(IV) compounds","Journal of the Chemical Society, Dalton Transactions","2000","","11","1759","","10.1039/b001198n","","","0.71073","MoKα","","0.0565","0.0522","","","0.136","0.1411","","","","","","1.069","","","","has coordinates,has disorder","179798","2020-10-21","18:00:00",""
"7009546","22.78","0.004","18.385","0.003","20.144","0.006","90","","112.93","0.02","90","","7770","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C74.5 H59 B4 Co2 F16 N13 O3.5 -","- C74.5 H57 B4 Co2 F16 N13 O3.5 -","- C298 H228 B16 Co8 F64 N52 O14 -","4","1","","He Cheng; Duan Chun-ying; Fang Chen-jie; Meng Qing-jin","Self-assembled dinuclear molecular box [Ag2L2]2+ and triple helicates [Co2L3]4+, [Ni2L3]4+{L = bis[4-(2-pyridylmethyleneamino)phenyl] ether}","J. Chem. Soc., Dalton Trans.","2000","","14","2419","2424","10.1039/b001820l","","","0.71073","MoKα","","0.1781","0.0772","","0.2185","0.1606","","","","1.083","1.316","1.316","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7009547","22.723","0.008","18.472","0.006","20.184","0.009","90","","112.71","0.04","90","","7815","6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C74.5 H59 B4 F16 N13 Ni2 O3.5 -","- C74.5 H57 B4 F16 N13 Ni2 O3.5 -","- C298 H228 B16 F64 N52 Ni8 O14 -","4","1","","He Cheng; Duan Chun-ying; Fang Chen-jie; Meng Qing-jin","Self-assembled dinuclear molecular box [Ag2L2]2+ and triple helicates [Co2L3]4+, [Ni2L3]4+{L = bis[4-(2-pyridylmethyleneamino)phenyl] ether}","J. Chem. Soc., Dalton Trans.","2000","","14","2419","2424","10.1039/b001820l","","","0.71073","MoKα","","0.1892","0.0745","","","0.1426","0.182","","","","","","0.993","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7009718","16.97","0.001","29.369","0.002","16.552","0.001","90","","116.022","0.003","90","","7413.1","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H16 Ag F6 N4 Sb -","- C12 H16 Ag F6 N4 Sb -","- C192 H256 Ag16 F96 N64 Sb16 -","16","4","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New examples of self-catenation in two three-dimensional polymeric co-ordination networks †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3821","","10.1039/b003092i","","","0.71073","MoKα","","0.0575","0.0466","","0.1312","0.1253","","","","0.963","","","","","","","has coordinates,has disorder","179801","2020-10-21","18:00:00",""
"7009777","12.2904","0.0003","44.6752","0.0013","14.6413","0.0003","90","","93.004","0.002","90","","8028.1","0.3","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","beta - cuprous dicyanamide 1,2-bis(4-pyridyl)ethene","","- C14 H10 Cu N5 -","- C14 H10 Cu N5 -","- C336 H240 Cu24 N120 -","24","6","","Batten, Stuart R.; Harris, Alexander R.; Jensen, Paul; Murray, Keith S.; Ziebell, Angela","Copper(I) dicyanamide coordination polymers: ladders, sheets, layers, diamond-like networks and unusual interpenetration †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3829","","10.1039/b003527k","","","0.71073","MoKα","","0.0884","0.056","","","0.12","0.1363","","","","","","1.053","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009851","16.854","0.002","15.6263","0.0019","19.144","0.002","90","","114.785","0.002","90","","4577.5","0.9","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H54 N6 Ni O13 -","- C43 H45 N6 Ni O13 -","- C172 H180 N24 Ni4 O52 -","4","1","","Biradha, Kumar; Fujita, Makoto","Co-ordination polymers containing square grids of dimension 15 × 15 Å †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3805","","10.1039/b004054l","","","0.71073","MoKα","","0.0776","0.0656","","","0.2037","0.2178","","","","","","1.046","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009852","13.6359","0.0018","24.875","0.003","15.217","0.002","90","","99.604","0.002","90","","5089.2","1.1","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H42 N8 Ni O10 -","- C60 H42 N8 Ni O10 -","- C240 H168 N32 Ni4 O40 -","4","1","","Biradha, Kumar; Fujita, Makoto","Co-ordination polymers containing square grids of dimension 15 × 15 Å †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3805","","10.1039/b004054l","","","0.71073","MoKα","","0.1517","0.073","","","0.1813","0.2176","","","","","","0.986","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009854","13.8097","0.0018","24.7","0.003","15.2856","0.0019","90","","101.982","0.003","90","","5100.3","1.1","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H42 Cu N8 O10 -","- C60 H42 Cu N8 O10 -","- C240 H168 Cu4 N32 O40 -","4","1","","Biradha, Kumar; Fujita, Makoto","Co-ordination polymers containing square grids of dimension 15 × 15 Å †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3805","","10.1039/b004054l","","","0.71073","MoKα","","0.1894","0.0764","","","0.1819","0.2386","","","","","","0.934","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7010138","17.598","0.0001","10.0198","0.0002","14.9081","0.0003","90","","99.119","0.001","90","","2595.5","0.08","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[Mo Cl2 (N C6 H3 Me-2 -CH Me2-6)2 (dme)]","","- C24 H36 Cl2 Mo N2 O2 -","- C24 H36 Cl2 Mo N2 O2 -","- C96 H144 Cl8 Mo4 N8 O8 -","4","1","","Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.; Waters, Joyce M.","Regiospecific influences of phenyl ring substituents in monoimido complexes of tantalum and tungsten and bis imido complexes of molybdenum","Journal of the Chemical Society, Dalton Transactions","2000","","24","4569","","10.1039/b006420n","","","0.71073","MoKα","","0.023","0.0198","","","0.0526","0.0543","","","","","","1.038","","","","has coordinates","288155","2023-12-07","17:20:21",""
"7010158","14.191","0.003","13.549","0.005","17.109","0.003","90","","108.68","0.01","90","","3116.3","1.4","296.2","","296.2","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H44 Au Cl2 N S2 -","- C27.89 H44 Au Cl2 N S2 -","- C111.56 H176 Au4 Cl8 N4 S8 -","4","1","","Watase, Seiji; Nakamoto, Masami; Kitamura, Takayuki; Kanehisa, Nobuko; Kai, Yasushi; Yanagida, Shozo","Solid-state luminescence and crystal structures of novel gold(I) benzenethiolate complexes","Journal of the Chemical Society, Dalton Transactions","2000","","20","3585","","10.1039/b006572m","","","0.7107","MoKα","","0.0437","0.0437","","","0.0318","0.035","","","","","","1.645","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010159","14.222","0.002","13.923","0.002","16.953","0.002","90","","109.173","0.01","90","","3170.7","0.8","296.2","","296.2","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H50 Au N S2 -","- C30 H50 Au N S2 -","- C120 H200 Au4 N4 S8 -","4","1","","Watase, Seiji; Nakamoto, Masami; Kitamura, Takayuki; Kanehisa, Nobuko; Kai, Yasushi; Yanagida, Shozo","Solid-state luminescence and crystal structures of novel gold(I) benzenethiolate complexes","Journal of the Chemical Society, Dalton Transactions","2000","","20","3585","","10.1039/b006572m","","","0.7107","MoKα","","0.0318","0.0318","","","0.0243","0.0243","","","","","","1.476","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010168","30.39","0.02","18.203","0.005","14.315","0.005","90","","102.52","0.04","90","","7731","6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","[{C6H4(NSiMe3)2}ZrCl2(Me2NCH2CH2NMe2)]","","","- C18 H38 Cl2 N4 Si2 Zr -","- C18 H38 Cl2 N4 Si2 Zr -","- C216 H456 Cl24 N48 Si24 Zr12 -","12","3","","Danièle, Stephane; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis, structures and catalytic properties of chelating N,N '-bis(silylated) 1,2-benzenediamidozirconium(IV) chlorides [and a titanium(IV) analogue] and dimethylamides †","Journal of the Chemical Society, Dalton Transactions","2001","","1","13","","10.1039/b006596j","","","0.71073","MoKα","","0.0408","0.0333","","","0.0681","0.0715","","","","","","1.031","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010262","10.13","0.01","13.486","0.006","13.396","0.007","90","","101.49","0.05","90","","1793","2","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C10 H24 Cl2 O Ru S Se3 -","- C10 H24 Cl2 O Ru S Se3 -","- C40 H96 Cl8 O4 Ru4 S4 Se12 -","4","1","","Levason, William; Orchard, Simon D.; Reid, Gillian","Synthesis, characterisation and reactions of ruthenium(II) complexes based upon [RuL3]2+ (L3 = tripodal triseleno- or tritelluro-ether) fragments. Structures of [RuCl2(PPh3){MeC(CH2SeMe)3}] and [RuCl2(dmso){MeC(CH2SeMe)3}]","Journal of the Chemical Society, Dalton Transactions","2000","","24","4550","","10.1039/b007487j","","","0.7107","MoKα","","","0.0402","","","","0.0538","","","","","","1.489","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010332","27.994","0.004","24.643","0.004","17.9049","0.0015","90","","95.448","0.009","90","","12296","3","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Tris(tetra-n-propylammonium) trihydrogendecavanadate monohydrate","","","- C36 H88 N3 O28.5 V10 -","- C36 H84 N3 O28.5 V10 -","- C288 H672 N24 O228 V80 -","8","2","","Nakamura, Setsuko; Ozeki, Tomoji","Hydrogen-bonded aggregates of protonated decavanadate anions in their tetraalkylammonium salts † ‡","Journal of the Chemical Society, Dalton Transactions","2001","","4","472","","10.1039/b008128k","","","0.7107","MoKα","","0.1797","0.0565","","","0.1432","0.1972","","","","","","0.956","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010385","8.865","0.002","23.214","0.002","13.172","0.003","90","","106.85","0.01","90","","2594.3","0.9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H36 Cl2 P Rh -","- C27 H36 Cl2 P Rh -","- C108 H144 Cl8 P4 Rh4 -","4","1","","Bleuel, Elke; Schwab, Peter; Laubender, Matthias; Werner, Helmut","Carbenerhodium(I) complexes of the half-sandwich-type: reactions with electrophiles","Journal of the Chemical Society, Dalton Transactions","2001","","3","266","","10.1039/b008354m","","","0.71073","MoKα","","0.0308","0.0284","","0.0698","0.0675","","","","1.074","1.061","1.061","","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010406","17.439","0.004","8.0368","0.0016","15.946","0.003","90","","112.59","0.03","90","","2063.4","0.9","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H27 Cl4 Cu2 N5 O2 -","- C12 H27 Cl4 Cu2 N5 O2 -","- C48 H108 Cl16 Cu8 N20 O8 -","4","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.0498","0.0394","","0.095","","0.103","","","1.158","","","1.159","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7010607","16.435","0.014","8.819","0.003","17.826","0.018","90","","123.46","0.05","90","","2156","3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H38 F4 P4 Ru -","- C12 H36 F4 P4 Ru -","- C48 H144 F16 P16 Ru4 -","4","1","","Jasim, Naseralla A.; Perutz, Robin N.; Foxon, Simon P.; Walton, Paul H.","Synthesis, characterisation and reactivity of ruthenium bis-bifluoride, ruthenium hydride bifluoride and ruthenium hydride fluoride complexes","Journal of the Chemical Society, Dalton Transactions","2001","","11","1676","","10.1039/b101007g","","","0.71069","MoKα","","0.0396","0.0368","","","0.099","0.1024","","","","","","1.09","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010713","15.286","0.007","10.143","0.003","10.49","0.004","90","","93.77","0.03","90","","1622.9","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C80 H48 Cu4 N8 O16 -","4","1","","Sun, Daofeng; Cao, Rong; Liang, Yucang; Shi, Qian; Su, Weiping; Hong, Maochun","Hydrothermal syntheses, structures and properties of terephthalate-bridged polymeric complexes with zig-zag chain and channel structures","Journal of the Chemical Society, Dalton Transactions","2001","","16","2335","","10.1039/b102888j","","","0.71073","MoKα","","0.0404","0.0309","","","0.072","0.0785","","","","","","1.05","","","","has coordinates","179811","2020-10-21","18:00:00",""
"7010716","17.51","0.006","10.394","0.003","9.373","0.004","90","","95.88","0.02","90","","1696.9","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Mn N2 O4 -","- C20 H12 Mn N2 O4 -","- C80 H48 Mn4 N8 O16 -","4","1","","Sun, Daofeng; Cao, Rong; Liang, Yucang; Shi, Qian; Su, Weiping; Hong, Maochun","Hydrothermal syntheses, structures and properties of terephthalate-bridged polymeric complexes with zig-zag chain and channel structures","Journal of the Chemical Society, Dalton Transactions","2001","","16","2335","","10.1039/b102888j","","","0.71073","MoKα","","0.0451","0.0372","","0.105","0.0973","","","","1.054","1.057","1.057","","","","","has coordinates","179811","2020-10-21","18:00:00",""
"7010762","32.0941","0.0015","9.6173","0.0008","27.8404","0.0013","90","","112.655","0.004","90","","7930.1","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C80 H112 Ce N16 -","- C80 H112 Ce N16 -","- C320 H448 Ce4 N64 -","4","1","","Garrido Montalban, Antonio; Michel, Sarah L. J.; Baum, Sven M.; Vesper, Benjamin J.; White, Andrew J. P.; Williams, David J.; Barrett, Anthony G. M.; Hoffman, Brian M.","Lanthanide porphyrazine sandwich complexes: synthetic, structural and spectroscopic investigations","Journal of the Chemical Society, Dalton Transactions","2001","","22","3269","","10.1039/b103346h","","","1.54178","CuKα","","0.0676","0.0526","","0.1398","0.1272","","","","1.051","1.06","1.06","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7010765","7.614","0.002","18.192","0.004","13.584","0.003","90","","98.89","0.03","90","","1859","0.8","100","0.2","100","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H31 B9 N3 Ta -","- C9 H31 B9 N3 Ta -","- C36 H124 B36 N12 Ta4 -","4","1","","Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.; Yufit, Dimitrii S.","Synthesis of isomeric B-methylated tantalum carboranes, (Me2N)3TaC2B9H10Me†","Journal of the Chemical Society, Dalton Transactions","2001","","15","2263","","10.1039/b103353k","","","0.71073","MoKα","","0.023","0.022","","","0.0507","0.051","","","","","","0.982","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010888","13.283","0.003","21.498","0.004","23.681","0.005","90","","104.78","0.03","90","","6539","3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C62 H64 Cl3 Co Er N4 O9 P3 -","- C62 H64 Cl3 Co Er N4 O9 P3 -","- C248 H256 Cl12 Co4 Er4 N16 O36 P12 -","4","1","","Wong, Wai-Kwok; Hou, Anxin; Guo, Jianping; He, Hongshan; Zhang, Lilu; Wong, Wai-Yeung; Li, King-Fai; Cheah, Kok-Wai; Xue, F.; Mak, Thomas C. W.","Synthesis, structure and near-infrared luminescence of neutral 3d–4f bi-metallic monoporphyrinate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","20","3092","","10.1039/b104993n","","","0.71073","MoKα","","0.0666","0.0509","","","0.1274","0.1389","","","","","","1.001","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7011869","17.56","0.0004","24.5441","0.0007","17.2735","0.0004","90","","92.577","0.002","90","","7437.3","0.3","123","1","123","1","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C83 H104 N O4 Sc Si2 -","- C83 H104 N O4 Sc Si2 -","- C332 H416 N4 O16 Sc4 Si8 -","4","1","","Estler, Frank; Herdtweck, Eberhardt; Anwander, Reiner","O-Benzylated-calix[4]arenes as ancillary ligands in organolanthanide chemistry","Journal of the Chemical Society, Dalton Transactions","2002","","16","3088","","10.1039/b205200h","","","0.71073","MoKα","","0.062","0.0532","","","0.1222","0.1276","","","","","","1.035","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011923","16.3","0.002","15.3088","0.0019","20.157","0.003","90","","95.115","0.002","90","","5009.8","1.1","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C51.5 H66 Cl4 N4 -","- C51.5 H66 Cl4 N4 -","- C206 H264 Cl16 N16 -","4","1","","Jenkins, Hilary A.; Abeysekera, Deepa; Dickie, Diane A.; Clyburne, Jason A. C.","Double lithiation of 2,4,6-triphenylbromobenzene: synthesis of bis-amidines and an aluminium bis-amidinate complex","Journal of the Chemical Society, Dalton Transactions","2002","","20","3919","","10.1039/b205875h","","","0.71073","MoKα","","0.0693","0.0596","","","0.1693","0.1764","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012174","12.876","0.01","22.313","0.01","10.938","0.006","90","","90.08","0.06","90","","3143","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H27 N9 O4 Re2 -","- C33 H27 N9 O4 Re2 -","- C132 H108 N36 O16 Re8 -","4","1","","Chakraborty, Indranil; Sengupta, Suman; Das, Samir; Banerjee, Sangeeta; Chakravorty, Animesh","Chemistry of monovalent and bivalent rhenium: synthesis, structure, isomer specificity and metal redox of azoheterocycle complexes","Dalton Transactions","2003","","1","134","","10.1039/b208338h","","","0.71073","MoKα","","0.0388","0.0243","","0.116","0.0557","","","","1.171","1.14","1.14","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7012199","11.133","0.01","26.01","0.02","13.574","0.012","90","","106.14","0.016","90","","3776","6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C17 H9 N5 -","- C17 H9 N5 -","- C204 H108 N60 -","12","3","","Deng, Hong; Cai, Jiwen; Xu, Hong; Zhang, Hao; Ji, Liang-Nian","Ruthenium(ii) complexes containing asymmetric ligands: synthesis, characterization, crystal structure and DNA-binding","Dalton Transactions","2003","","3","325","","10.1039/b208400g","","","0.71073","MoKα","","0.1071","0.0467","","","0.1227","0.1672","","","","","","1.011","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012456","9.2541","0.0003","15.4971","0.0006","16.7405","0.0006","90","","94.248","0.01","90","","2394.19","0.15","213","2","213","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 Cl2 N4 P2 Ti -","- C20 H28 Cl2 N4 P2 Ti -","- C80 H112 Cl8 N16 P8 Ti4 -","4","1","","Moser, Daniel F.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.","Bis(tert-butylamido)- and bis(arylamido)cyclodiphosph(iii)azane complexes of Ti, V, Zr and Hf: ligand substituent effects and coordination number","Dalton Transactions","2003","","7","1402","","10.1039/b211009a","","","0.71073","MoKα","","0.0246","0.024","","","0.0645","0.0654","","","","","","1.036","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012480","12.1284","0.0013","13.5763","0.0015","11.9212","0.0013","90","","92.718","0.008","90","","1960.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H26 I2 P Rh -","- C15 H26 I2 P Rh -","- C60 H104 I8 P4 Rh4 -","4","1","","McConnell, Ann E. C.; Foster, Douglas F.; Pogorzelec, Peter; Slawin, Alexandra M. Z.; Law, David J.; Cole-Hamilton, David J.","Stabilising Rh‒P coordination by phosphanylalkylcyclopentadienyl ligands","Dalton Transactions","2003","","4","510","","10.1039/b211287f","","","0.71073","MoKα","","0.0462","0.0316","","","0.0842","0.0869","","","","","","1.035","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012509","22.825","0.003","5.2237","0.0007","20.459","0.003","90","","121.99","0.002","90","","2068.9","0.5","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H22.5 Cu N3 O5.75 -","- C21 H17 Cu N3 O5.75 -","- C84 H68 Cu4 N12 O23 -","4","1","","Yang, Chang-Tong; Moubaraki, Boujemaa; Murray, Keith S.; Vittal, Jagadese J.","Synthesis, characterization and properties of ternary copper(ii) complexes containing reduced Schiff base N-(2-hydroxybenzyl)-α-amino acids and 1,10-phenanthrolineElectronic supplementary information (ESI) available: ESI-MS and UV titration data. See http://www.rsc.org/suppdata/dt/b2/b211496h/","Dalton Transactions","2003","","5","880","","10.1039/b211496h","","","0.71073","MoKα","","0.0614","0.0531","","","0.1368","0.1673","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012564","20.25","0.004","20.406","0.004","14.364","0.003","90","","107.466","0.003","90","","5662","2","168","2","168","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H32.5 Cl2 Co2 N11.5 -","- C23 H32.5 Cl2 Co2 N11.5 -","- C184 H260 Cl16 Co16 N92 -","8","2","","Beckmann, Udo; Brooker, Sally; Depree, Craig V.; Ewing, Janna D.; Moubaraki, Boujemaa; Murray, Keith S.","Dicobalt(ii) complexes of a triazolate-containing Schiff-base macrocycle: synthesis, structure and magnetism","Dalton Transactions","2003","","7","1308","","10.1039/b212131j","","","0.71073","MoKα","","0.0229","0.021","","","0.0528","0.0536","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7012610","3.625","0.001","14.644","0.005","18.649","0.007","90","","91.199","0.005","90","","989.8","0.6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","2,2'-bipyridine-4,4'-dicarboxylic acid","","","- C12 H8 N2 O4 -","- C12 H8 N2 O4 -","- C48 H32 N8 O16 -","4","1","","Tynan, Eithne; Jensen, Paul; Kruger, Paul E.; Lees, Anthea C.; Nieuwenhuyzen, Mark","Coordination and hydrogen bonded networks featuring 4,4'-dicarboxy-2,2'-bipyridine (H2dcbp): structural characterisation of H2dcbp, [Co(dcbp)(H2O)4]·4H2O, and {[Cu(dcbp)(H2O)2]·2H2O}n","Dalton Transactions","2003","","7","1223","","10.1039/b212318e","","","0.71073","MoKα","","0.037","0.0329","","","0.0718","0.0745","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012737","17.9448","0.0016","12.84","0.0011","10.8881","0.0009","90","","125.675","0.004","90","","2037.9","0.3","173","2","173","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","[PhP(O)(NHEt2)2]/[PHP(NHEt2)2]","","","- C16 H31 Br2 N2 O P -","- C16 H31 Br2 N2 O0.684 P -","- C64 H124 Br8 N8 O2.736 P4 -","4","1","","Hitchcock, Peter B.; Lee, Ting Huei; Leigh, G. Jeffery","The synthesis and properties of a new linear NPN proligand","Dalton Transactions","2003","","11","2276","","10.1039/b300596h","","x-ray","0.71073","MoKα","","0.0535","0.0433","","","0.0896","0.0948","","","","","","1.054","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012801","29.96","0.008","13.177","0.009","21.038","0.007","90","","122.45","0.02","90","","7009","6","294.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C75 H69 N2 O9 P7 Pt -","- C75 H69 N2 O9 P7 Pt -","- C300 H276 N8 O36 P28 Pt4 -","4","1","","Kamimura, Sou; Kuwata, Shigeki; Iwasaki, Masakazu; Ishii, Youichi","Syntheses, structures and solution behaviour of cyclotriphosphato complexes of Pd(ii), Pt(ii) and Pt(iv)","Dalton Transactions","2003","","13","2666","","10.1039/b301223a","","","0.7107","MoKα","","","0.0438","","","","0.0918","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012985","13.9383","0.0008","10.0796","0.0006","7.8432","0.0004","90","","94.94","0.002","90","","1097.82","0.11","293","2","293","2","","","","","","","see text","5","C 1 c 1","C -2yc","9","","","","- C11 H8 Au Cl2 N -","- C11 H8 Au Cl2 N -","- C44 H32 Au4 Cl8 N4 -","4","1","","Fan, Daming; Yang, Chang-Tong; Ranford, John D.; Lee, Peng Foo; Vittal, Jagadese J.","Chemical and biological studies of the dichloro(2-phenylpyridine) gold(iii) complex and its derivativesElectronic supplementary information (ESI) available: 1H?1H COSY spectrum of 5 in DMSO-d6. See http://www.rsc.org/suppdata/dt/b3/b303297c/","Dalton Transactions","2003","","13","2680","","10.1039/b303297c","","","0.71073","MoKα","","0.0629","0.0487","","0.1099","0.1045","","","","1.03","1.082","1.082","","","","","has coordinates","179833","2020-10-21","18:00:00",""
"7013025","15.778","0.003","11.6783","0.0016","15.07","0.002","90","","112.375","0.015","90","","2567.7","0.7","140","2","140","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H24 N2 P2 -","- C31 H24 N2 P2 -","- C124 H96 N8 P8 -","4","1","","Fei, Zhaofu; Scopelliti, Rosario; Dyson, Paul J.","Influence of the functional group on the synthesis of aminophosphines, diphosphinoamines and iminobiphosphines","Dalton Transactions","2003","","13","2772","","10.1039/b303645f","","","0.71073","MoKα","","0.081","0.0663","","","0.1643","0.1787","","","","","","0.973","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013089","12.203","0.002","18.686","0.004","9.861","0.002","90","","125.43","0.03","90","","1832.2","0.9","110","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","1,1ï-bis(1,3-dithiane-2-yl)-ferrocene","1,1ï-bis(1,3-dithiane-2-yl)-ferrocene","","- C18 H22 Fe S4 -","- C18 H22 Fe S4 -","- C72 H88 Fe4 S16 -","4","1","","Hartinger, Christian G.; Nazarov, Alexey A.; Chevchenko, Vladimir; Arion, Vladimir B.; Galanski, Markus; Keppler, Bernhard K.","Synthesis, crystal structures, and electrospray ionisation mass spectrometry investigations of ether- and thioether-substituted ferrocenes","Dalton Transactions","2003","","15","3098","","10.1039/b304115h","","","0.71073","MoKα","","0.0324","0.029","","","0.0612","0.0623","","","","","","1.08","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013166","35.97","0.02","24.21","0.01","36.61","0.04","90","","104.67","0.07","90","","30842","4","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C230 H323 Eu7 N10 O37 S6 -","- C230 H270 Eu7 N10 O37 S6 -","- C920 H1080 Eu28 N40 O148 S24 -","4","1","","Fleming, Sean; Gutsche, C. David; Harrowfield, Jack M.; Ogden, Mark I.; Skelton, Brian W.; Stewart, Donald F.; White, Allan H.","Calixarenes as aryloxides: oligonuclear europium(iii) derivatives","Dalton Transactions","2003","","17","3319","","10.1039/b305041f","","","0.71073","MoKα","","0.106","0.069","","0.093","","0.085","","","1.596","","","1.867","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013345","13.7375","0.0017","19.564","0.002","20.201","0.002","90","","95.27","0.014","90","","5406.3","1","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C54 H50 B2 F8 N2 P4 Ru -","- C54 H50 B2 F8 N2 P4 Ru -","- C216 H200 B8 F32 N8 P16 Ru4 -","4","1","","Jamie F. Bickley; Annemarie A. La Pensée; Simon J. Higgins; Clare A. Stuart","Syntheses, characterisation and some ligand substitution chemistry of Ru(II)‒diphosphine triflate complexes","Dalton Trans.","2003","","24","4663","4668","10.1039/b306552a","","","0.71073","MoKα","","0.07","0.0341","","","0.0523","0.0604","","","","","","0.628","","","","has coordinates","179837","2020-10-21","18:00:00",""
"7013441","25.554","0.013","8.449","0.005","12.046","0.006","90","","93.013","0.01","90","","2597","2","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H44 P2 -","- C24 H44 P2 -","- C96 H176 P8 -","4","1","","Hollink, Emily; Stewart, Jeffrey C.; Wei, Pingrong; Stephan, Douglas W.","Ti and Zr bidentate bis-phosphinimide complexes","Dalton Transactions","2003","","20","3968","","10.1039/b308114a","","","0.71073","MoKα","","0.0543","0.0408","","","0.1159","0.1275","","","","","","1.047","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013474","8.7216","0.0016","15.582","0.003","18.389","0.004","90","","95.446","0.004","90","","2487.8","0.9","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H31 Cl2 Cu N5 O9 -","- C18 H31 Cl2 Cu N5 O9 -","- C72 H124 Cl8 Cu4 N20 O36 -","4","1","","Herrera, Aida M.; Kalayda, Ganna V.; Disch, Jeremy S.; Wikstrom, Jeffrey P.; Korendovych, Ivan V.; Staples, Richard J.; Campana, Charles F.; Nazarenko, Alexander Y.; Haas, Terry E.; Rybak-Akimova, Elena V.","Reactions at the azomethine C?N bonds in the nickel(ii) and copper(ii) complexes of pyridine-containing Schiff-base macrocyclic ligandsElectronic supplementary information (ESI) available: Figs. S1?S5: MALDI mass spectra, UV-Vis traces and X-ray structures. See http://www.rsc.org/suppdata/dt/b3/b308557k/","Dalton Transactions","2003","","23","4482","","10.1039/b308557k","","","0.71073","MoKα","","0.0589","0.0399","","","0.0956","0.1065","","","","","","0.962","","","","has coordinates","179838","2020-10-21","18:00:00",""
"7013518","15.948","0.006","11.544","0.005","13.42","0.005","90","","121.083","0.005","90","","2115.9","1.5","168","2","168","2","","","","","","","","5","C 1 c 1","C -2yc","9","12","","","- C22 H18 Ag N5 O3 -","- C22 H18 Ag N5 O3 -","- C88 H72 Ag4 N20 O12 -","4","1","","Steel, Peter J.; Sumby, Christopher J.","Coordination chemistry of di-2-pyridylmethane and related bridging ligands with silver(i), copper(ii), palladium(ii) and zinc(ii)","Dalton Transactions","2003","","23","4505","","10.1039/b309479k","","","0.71073","MoKα","","0.0295","0.0227","","","0.0396","0.0407","","","","","","0.936","","","","has coordinates","179839","2020-10-21","18:00:00",""
"7013524","8","0.002","32.264","0.008","9.563","0.002","90","","97.962","0.003","90","","2444.5","1","168","2","168","2","","","","","","","","5","C 1 c 1","C -2yc","9","19","","","- C22 H22 Cu N6 O11 -","- C22 H22 Cu N6 O11 -","- C88 H88 Cu4 N24 O44 -","4","1","","Steel, Peter J.; Sumby, Christopher J.","Coordination chemistry of di-2-pyridylmethane and related bridging ligands with silver(i), copper(ii), palladium(ii) and zinc(ii)","Dalton Transactions","2003","","23","4505","","10.1039/b309479k","","","0.71073","MoKα","","0.0262","0.025","","","0.0674","0.0693","","","","","","1.037","","","","has coordinates","179839","2020-10-21","18:00:00",""
"7013923","18.007","0.002","14.3779","0.0019","16.731","0.002","90","","97.703","0.003","90","","4292.6","0.9","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H68 B Li N4 -","- C47 H68 B Li N4 -","- C188 H272 B4 Li4 N16 -","4","1","","Hoefelmeyer, James D.; Solé, Stéphane; Gabbaï, François P","Reactivity of the dimesityl-1,8-naphthalenediylborate anion: isolation of the borataalkene isomer and synthesis of 1,8-diborylnaphthalenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1254","1258","10.1039/b316505a","","","0.71073","MoKα","","0.0917","0.0541","","","0.1245","0.1394","","","","","","0.989","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7014099","11.904","0.002","11.935","0.002","20.007","0.004","90","","99.71","0.03","90","","2801.8","0.9","30","2","30","2","","","","","","","","7","C 1 c 1","C -2yc","9","Je52","","","- C24 H22 B2 F8 Fe N10 O2 -","- C24 H22 B2 F8 Fe N10 O2 -","- C96 H88 B8 F32 Fe4 N40 O8 -","4","1","","Money, V. A.; Elhaïk, J; Halcrow, M. A.; Howard, J. A. K.","The thermal and light induced spin transition in [FeL2](BF4)2 (L = 2,6-dipyrazol-1-yl-4-hydroxymethylpyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1516","1518","10.1039/b401155d","","","0.71073","MoKα","","0.0461","0.0449","","","0.1207","0.122","","","","","","1.064","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014100","11.974","0.002","12.001","0.002","20.014","0.004","90","","98.44","0.03","90","","2844.9","0.9","30","2","30","2","","","","","","","","7","C 1 c 1","C -2yc","9","Je52","","","- C24 H22 B2 F8 Fe N10 O2 -","- C24 H22 B2 F8 Fe N10 O2 -","- C96 H88 B8 F32 Fe4 N40 O8 -","4","1","","Money, V. A.; Elhaïk, J; Halcrow, M. A.; Howard, J. A. K.","The thermal and light induced spin transition in [FeL2](BF4)2 (L = 2,6-dipyrazol-1-yl-4-hydroxymethylpyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1516","1518","10.1039/b401155d","","","0.71073","MoKα","","0.0416","0.04","","","0.1055","0.1071","","","","","","1.029","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014101","12.115","0.002","12.118","0.002","20.414","0.004","90","","99.53","0.03","90","","2955.6","0.9","300","2","300","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H22 B2 F8 Fe N10 O2 -","- C24 H22 B2 F8 Fe N10 O2 -","- C96 H88 B8 F32 Fe4 N40 O8 -","4","1","","Money, V. A.; Elhaïk, J; Halcrow, M. A.; Howard, J. A. K.","The thermal and light induced spin transition in [FeL2](BF4)2 (L = 2,6-dipyrazol-1-yl-4-hydroxymethylpyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1516","1518","10.1039/b401155d","","","0.71073","MoKα","","0.0959","0.0622","","","0.1458","0.1635","","","","","","1.026","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014408","9.192","0.0005","15.5454","0.001","15.1189","0.0008","90","","106.52","0.003","90","","2071.2","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H16 Cl4 Fe N4 -","- C18 H16 Cl4 Fe N4 -","- C72 H64 Cl16 Fe4 N16 -","4","1","","Jaafar, Hassen; Vileno, Bertrand; Thibon, Aurore; Mandon, Dominique","Tuning the conversion of cyclohexane into cyclohexanol/one by molecular dioxygen, protons and reducing agents at a single non-porphyrinic iron centre and chemical versatility of the tris(2-pyridylmethyl)amine TPAFe(II)Cl2 complex in mild oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","92","106","10.1039/c0dt00756k","","","0.71073","MoKα","","0.0525","0.0387","","","0.0883","0.0956","","","","","","1.017","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014477","14.0188","0.0019","19.074","0.003","20.581","0.003","90","","92.079","0.003","90","","5499.6","1.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C51 H56 Cl2 Cr F20 N3 -","- C51 H56 Cl2 Cr F20 N3 -","- C204 H224 Cl8 Cr4 F80 N12 -","4","1","","Alonso, Pablo J.; Arauzo, Ana B.; García-Monforte, M Angeles; García-Rubio, Inés; Martín, Antonio; Menjón, Babil; Rillo, Conrado","Synthesis, characterisation and magnetic properties of octahedral chromium(III) compounds with six C-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","853","861","10.1039/c0dt00891e","","","0.71073","MoKα","","0.0692","0.0579","","","0.1189","0.1245","","","","","","1.072","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014600","24.8414","0.0006","31.1031","0.0008","12.34","0.0003","90","","97.318","0.001","90","","9456.8","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C63 H55 N9 O17 Zn4 -","- C63 H55 N9 O17 Zn4 -","- C252 H220 N36 O68 Zn16 -","4","1","","Sapchenko, Sergey A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Melgunov, Maxim S.; Fedin, Vladimir P.","Microporous sensor: gas sorption, guest exchange and guest-dependant luminescence of metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2196","2203","10.1039/c0dt00999g","","x-ray","0.71073","MoKα","","0.0423","0.0374","","","0.1271","0.1311","","","","","","1.097","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014602","24.6659","0.0007","31.3085","0.0012","12.2751","0.0005","90","","96.306","0.001","90","","9422.1","0.6","130","2","130","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C103 H95 Fe4 N9 O17 Zn4 -","- C103 H95 Fe4 N9 O17 Zn4 -","- C412 H380 Fe16 N36 O68 Zn16 -","4","1","","Sapchenko, Sergey A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Melgunov, Maxim S.; Fedin, Vladimir P.","Microporous sensor: gas sorption, guest exchange and guest-dependant luminescence of metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2196","2203","10.1039/c0dt00999g","","x-ray","0.71073","MoKα","","0.0482","0.0349","","","0.0672","0.0706","","","","","","1.023","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014727","21.327","0.004","12.677","0.002","20.069","0.003","90","","92.904","0.003","90","","5418.9","1.6","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","Cobalt Manganese complex","Cobalt Manganese complex","","- C42 H58.3 Cl2 Co Mn N20 O8.65 -","- C42 H57 Cl2 Co Mn N20 O8.656 -","- C168 H228 Cl8 Co4 Mn4 N80 O34.624 -","4","1","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","0.71073","MoKα","","0.0817","0.0574","","","0.1077","0.1156","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014964","37.7214","0.0007","13.5805","0.0003","21.1039","0.0004","90","","123.261","0.0012","90","","9040","0.3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C88 H106 Fe4 N2 O12 P4 S4 -","- C88 H106 Fe4 N2 O12 P4 S4 -","- C352 H424 Fe16 N8 O48 P16 S16 -","4","1","","Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi","Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction","Dalton Transactions","2011","40","11","2528","","10.1039/c0dt01332c","","","0.71073","MoKα","","0.0862","0.0511","","","0.1119","0.1279","","","","","","1.03","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7015016","16.193","0.002","12.7858","0.0018","31.398","0.005","90","","104.475","0.002","90","","6294.3","1.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","09179m","","","- C21 H47 Cl F3 Fe P5 Si -","- C21 H47 Cl F3 Fe P5 Si -","- C168 H376 Cl8 F24 Fe8 P40 Si8 -","8","2","","Thoreson, Kristen A.; McNeill, Kristopher","Vicinal dichlorine elimination at dichloroalkenes promoted by a well-defined iron(0) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1646","1648","10.1039/c0dt01532f","","","0.71073","MoKα","","0.0849","0.0633","","","0.1654","0.1778","","","","","","1.021","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015065","21.7459","0.0004","15.6939","0.0003","24.8759","0.0003","90","","91.379","0.001","90","","8487.1","0.2","223","2","223","2","","","","","","","","9","C 1 c 1","C -2yc","9","","[Ru(bpy)2(dppcb)NiCl2](PF6)2","","- C75.7 H65.4 Cl7.4 F12 N4 Ni O2 P6 Ru -","- C75.7 H65.4 Cl7.4 F12 N4 Ni O2 P6 Ru -","- C302.8 H261.6 Cl29.6 F48 N16 Ni4 O8 P24 Ru4 -","4","1","","Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter","Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3815","3829","10.1039/c0dt00253d","","","0.71073","MoKα","","0.0483","0.04","","","0.1145","0.1379","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015196","17.762","0.004","20.211","0.004","24.377","0.005","90","","100.35","0.03","90","","8609","3","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C102 H94 B2 Cu2 N12 O -","- C102 H94 B2 Cu2 N12 O -","- C408 H376 B8 Cu8 N48 O4 -","4","1","","Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried","Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5090","5101","10.1039/c0dt01339k","","","0.71073","MoKα","","0.0795","0.0461","","","0.0941","0.1057","","","","","","0.924","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015274","18.3455","0.0011","11.7661","0.0007","19.1766","0.0013","90","","99.027","0.001","90","","4088.1","0.4","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H36 Ag2 Cl2 N8 O8 -","- C40 H36 Ag2 Cl2 N8 O8 -","- C160 H144 Ag8 Cl8 N32 O32 -","4","1","","Chakraborty, Biswarup; Halder, Partha; Paine, Tapan Kanti","Conformational supramolecular isomerism in one-dimensional silver(I) coordination polymer of a flexible bis(bidentate) N,N-donor ligand with p-xylyl spacer.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3647","3654","10.1039/c0dt01429j","","","0.71073","MoKα","","0.04","0.034","","","0.074","0.0778","","","","","","1.015","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015288","8.9315","0.0005","27.8009","0.0007","7.7791","0.0004","90","","122.47","0.008","90","","1629.62","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H16 N2 Pt S2 -","- C18 H16 N2 Pt S2 -","- C72 H64 N8 Pt4 S8 -","4","1","","Forniés, Juan; Sicilia, Violeta; Casas, José M; Martín, Antonio; López, José A; Larraz, Carmen; Borja, Pilar; Ovejero, Carmen","Pt-Ag clusters and their neutral mononuclear Pt(II) starting complexes: structural and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2898","2912","10.1039/c0dt01451f","","","0.71073","MoKα","","0.0207","0.0199","","","0.0516","0.0519","","","","","","1.073","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015312","13.1311","0.0016","11.9402","0.0015","16.985","0.002","90","","100.938","0.002","90","","2614.7","0.6","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H24 Cl Co N6 O9 -","- C24 H24 Cl Co N6 O9 -","- C96 H96 Cl4 Co4 N24 O36 -","4","1","","Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5200","5209","10.1039/c0dt01472a","","","0.71073","MoKα","","0.0606","0.057","","","0.1508","0.153","","","","","","1.133","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015354","19.434","0.004","8.4193","0.0017","14.943","0.003","90","","111.49","0.03","90","","2275","0.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H29 I2 N Si Ti -","- C20 H29 I2 N Si Ti -","- C80 H116 I8 N4 Si4 Ti4 -","4","1","","Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W.","Titanium ""constrained geometry"" complexes with pendant arene groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2861","2867","10.1039/c0dt01530j","","","0.71073","MoKα","","0.0408","0.0333","","","0.0728","0.0775","","","","","","1.096","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015464","23.7798","0.0011","8.8383","0.0004","16.8227","0.0014","90","","134.886","0.001","90","","2505.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H34 Cu N2 O4 -","- C26 H34 Cu N2 O4 -","- C104 H136 Cu4 N8 O16 -","4","1","","Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S.","Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3074","3076","10.1039/c0dt01630f","","","0.71073","MoKα","","0.0963","0.0757","","","0.1762","0.1994","","","","","","1.018","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015775","14.6358","0.0002","16.3497","0.0002","12.3448","0.0001","90","","107.455","0.001","90","","2817.98","0.06","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H12 Cl8 N8 O P6 -","- C12 H12 Cl8 N8 O P6 -","- C48 H48 Cl32 N32 O4 P24 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Shaw, Robert A.","Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5307","5315","10.1039/c1dt10073d","","","0.71073","MoKα","","0.0332","0.0303","","","0.0662","0.0675","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015818","10.0551","0.0003","32.8259","0.001","10.7878","0.0003","90","","116.542","0.001","90","","3185.43","0.16","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","Trifluorobis(triphenylarsine oxide-O)antimony(iii)","Trifluorobis(triphenylarsine oxide-O)antimony(III)","","- C36 H30 As2 F3 O2 Sb -","- C36 H30 As2 F3 O2 Sb -","- C144 H120 As8 F12 O8 Sb4 -","4","1","","Levason, William; Light, Mark E.; Maheshwari, Seema; Reid, Gillian; Zhang, Wenjian","Unusual neutral ligand coordination to arsenic and antimony trifluoride.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5291","5297","10.1039/c1dt10113g","","","0.71073","MoKα","","0.0451","0.041","","","0.1042","0.1082","","","","","","1.08","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015885","13.184","0.003","30.314","0.006","17.95","0.004","90","","95.17","0.03","90","","7145","3","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","N,N'-dicyclohexylneopentylamidinato-isopropylimino- gallium(ii)-N,N' -dicyclohexylneopentylamidinato-iodo-gallium(ii)-N,N' - dicyclohexylneopentylamidinato-gallium(i)","N,N'-dicyclohexylneopentylamidinato-isopropylimino-gallium(II)-N,N' -dicyclohexylneopentylamidinato-iodo-gallium(II)-N,N' -dicyclohexylneopentylamidinato-gallium(I)","","- C66 H123 Ga3 I N7 O3 -","- C66 H123 Ga3 I N7 O3 -","- C264 H492 Ga12 I4 N28 O12 -","4","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.144","0.0676","","","0.1358","0.164","","","","","","0.769","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015939","13.8873","0.0002","24.0212","0.0003","31.2772","0.0004","90","","101.126","0.001","90","","10237.6","0.2","123","2","123","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C72 H71 Fe N15 O43 S2 -","- C72 H71 Fe N15 O43 S2 -","- C288 H284 Fe4 N60 O172 S8 -","4","1","","Raatikainen, Kari; Huuskonen, Juhani; Rissanen, Kari","Discriminating octahedral transition metal ions: highly selective tripodal tris-(2,2'-bipyridine) functionalized piperazine cyclophane receptor for Cu(2+) ions.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5706","5710","10.1039/c1dt10406c","","x-ray","0.71073","MoKα","","0.091","0.0778","","","0.2163","0.232","","","","","","1.088","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015971","13.2681","0.0019","15.846","0.002","17.926","0.003","90","","93.362","0.002","90","","3762.4","1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H46 Co Fe P4 -","- C40 H46 Co Fe P4 -","- C160 H184 Co4 Fe4 P16 -","4","1","","Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian","Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6886","6892","10.1039/c0dt01386b","","","0.71073","MoKα","","0.0581","0.045","","","0.1161","0.1243","","","","","","1.022","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7016036","15.827","0.002","17.404","0.003","15.344","0.002","90","","109.473","0.003","90","","3984.8","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H25 F2 N7 O4 Ru S2 -","- C32 H25 F2 N7 O4 Ru S2 -","- C128 H100 F8 N28 O16 Ru4 S8 -","4","1","","Chen, Huei-Siou; Chang, Wei-Chun; Su, Chaochin; Li, Ting-Yu; Hsu, Nai-Mu; Tingare, Yogesh S.; Li, Chung-Yen; Shie, Jun-Han; Li, Wen-Ren","Carbene-based ruthenium photosensitizers.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6765","6770","10.1039/c1dt10072f","","","0.71073","MoKα","","0.0535","0.0402","","","0.082","0.0861","","","","","","0.995","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016184","13.7886","0.0013","24.535","0.002","10.0567","0.0009","90","","98.992","0.003","90","","3360.4","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H21 F8 Fe N5 O6 S2 -","- C28 H21 F8 Fe N5 O6 S2 -","- C112 H84 F32 Fe4 N20 O24 S8 -","4","1","","Shejwalkar, Pushkar; Rath, Nigam P.; Bauer, Eike B.","New iron(ii) α-iminopyridine complexes and their catalytic activity in the oxidation of activated methylene groups and secondary alcohols to ketones.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7617","7631","10.1039/c1dt10387c","","","0.71073","MoKα","","0.0948","0.0606","","","0.1453","0.1651","","","","","","1.048","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016332","15.2861","0.0002","20.4785","0.0003","22.7891","0.0004","90","","105.574","0.001","90","","6871.9","0.18","180","2","180","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C65 H72 Cl2 Fe Gd N9 O21 -","- C65 H72 Cl2 Fe Gd N9 O21 -","- C260 H288 Cl8 Fe4 Gd4 N36 O84 -","4","1","","Georgopoulou, Anastasia N.; Adam, Rosa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Ballesteros, Rafael; Abarca, Belén; Boudalis, Athanassios K.","Expanding the 3d-4f heterometallic chemistry of the (py)(2)CO and pyCOpyCOpy ligands: structural, magnetic and Mössbauer spectroscopic studies of two Fe(II)-Gd(III) co mplexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8199","8205","10.1039/c1dt10237k","","","1.54178","CuKα","","0.0474","0.0453","","","0.116","0.1187","","","","","","1.048","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016349","13.195","0.0012","11.2449","0.001","19.3922","0.0017","90","","109.592","0.002","90","","2710.8","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H22 Br2 Cl4 N4 Pd S -","- C24 H22 Br2 Cl4 N4 Pd S -","- C96 H88 Br8 Cl16 N16 Pd4 S4 -","4","1","","Yuan, Dan; Tang, Haoyun; Xiao, Linfei; Huynh, Han Vinh","CSC-pincer versus pseudo-pincer complexes of palladium(ii): a comparative study on complexation and catalytic activities of NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8788","8795","10.1039/c1dt10269a","","","0.71073","MoKα","","0.0527","0.0476","","","0.1251","0.1285","","","","","","1.049","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016492","9.6213","0.001","14.2475","0.0014","14.9739","0.0015","90","","92.197","0.002","90","","2051.1","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H Cs Fe4 O13 -","- C13 H Cs Fe4 O13 -","- C52 H4 Cs4 Fe16 O52 -","4","1","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.1058","0.0889","","","0.1701","0.1779","","","","","","1.178","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016495","9.416","0.006","13.905","0.009","14.604","0.01","90","","91.187","0.009","90","","1912","2","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H Fe4 K O13 -","- C13 H Fe4 K O13 -","- C52 H4 Fe16 K4 O52 -","4","1","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.0261","0.0241","","","0.0456","0.0466","","","","","","1.019","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016604","10.309","0.004","27.522","0.011","11.346","0.005","90","","96.968","0.003","90","","3195","2","120","2","120","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C40 H38 N2 O Yb -","- C40 H38 N2 O Yb -","- C160 H152 N8 O4 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Gudilenkov, Ivan D.; Fukin, Georgy K.; Giambastiani, Giuliano; Bianchini, Claudio; Rossin, Andrea; Luconi, Lapo; Filippi, Jonathan; Sorace, Lorenzo","Steric control on the redox chemistry of (η(5)-C(9)H(7))(2)Yb(II)(THF)(2) by 6-aryl substituted iminopyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10568","10575","10.1039/c1dt10135h","","x-ray","0.71069","MoKα","","0.056","0.0386","","","0.0636","0.0664","","","","","","0.884","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016668","23.2096","0.0005","15.9822","0.0004","11.9687","0.0002","90","","117.276","0.0012","90","","3946.02","0.15","150","1","150","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H35 Cl3 N4 Ni O7 -","- C40 H35 Cl3 N4 Ni O7 -","- C160 H140 Cl12 N16 Ni4 O28 -","4","1","","Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M.","Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10609","10620","10.1039/c1dt10587f","","","0.71073","MoKα","","0.0683","0.0539","","","0.132","0.1445","","","","","","1.066","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016692","15.302","0.008","16.458","0.008","13.709","0.006","90","","107.915","0.008","90","","3285","3","151","2","151","2","","","","","","","","7","C 1 c 1","C -2yc","9","(HNP2NiN(H)C(CH3)NC5H10)(BF4)2","","","- C23 H51 B2 F8 N3 Ni P2 -","- C23 H51 B2 F8 N3 Ni P2 -","- C92 H204 B8 F32 N12 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","","0.0506","0.0348","","","0.0637","0.0694","","","","","","1.013","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016755","14.0853","0.0007","22.5202","0.0011","6.8273","0.0004","90","","95.373","0.005","90","","2156.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H19 Cu N5 O5 -","- C25 H19 Cu N5 O5 -","- C100 H76 Cu4 N20 O20 -","4","1","","Buchtík, Roman; Trávníček, Zdeněk; Vančo, Ján; Herchel, Radovan; Dvořák, Zdeněk","Synthesis, characterization, DNA interaction and cleavage, and in vitro cytotoxicity of copper(ii) mixed-ligand complexes with 2-phenyl-3-hydroxy-4(1H)-quinolinone.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9404","9412","10.1039/c1dt10674k","","","0.71073","MoKα","","0.0316","0.0296","","","0.075","0.0759","","","","","","1.042","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016776","11.402","0.0006","16.8606","0.0009","14.2524","0.0008","90","","96.143","0.005","90","","2724.2","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 S -","- C30 H28 Fe N5 O2 S -","- C120 H112 Fe4 N20 O8 S4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0353","0.0305","","","0.0701","0.0719","","","","","","1.01","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016777","11.2861","0.0004","16.9335","0.0006","14.4691","0.0005","90","","96.099","0.003","90","","2749.58","0.17","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 S -","- C30 H28 Fe N5 O2 S -","- C120 H112 Fe4 N20 O8 S4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0308","0.0265","","","0.0611","0.0622","","","","","","0.996","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016778","11.265","0.005","17.035","0.005","14.515","0.005","90","","95.924","0.005","90","","2770.5","1.8","240","2","240","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 S -","- C30 H28 Fe N5 O2 S -","- C120 H112 Fe4 N20 O8 S4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.029","0.0246","","","0.0562","0.0575","","","","","","0.995","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016779","11.538","0.005","16.723","0.005","14.08","0.005","90","","96.281","0.005","90","","2700.4","1.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 Se -","- C30 H28 Fe N5 O2 Se -","- C120 H112 Fe4 N20 O8 Se4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0567","0.0475","","","0.0924","0.0996","","","","","","1.039","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016780","11.258","0.0004","17.1503","0.0008","14.63","0.0006","90","","95.975","0.004","90","","2809.4","0.2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 Se -","- C30 H28 Fe N5 O2 Se -","- C120 H112 Fe4 N20 O8 Se4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0503","0.0323","","","0.0673","0.0728","","","","","","1.16","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016879","10.1369","0.0006","19.6944","0.0012","16.1275","0.001","90","","91.483","0.001","90","","3218.6","0.3","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Br2 Co Fe O2 P2 -","- C34 H28 Br2 Co Fe O2 P2 -","- C136 H112 Br8 Co4 Fe4 O8 P8 -","4","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.0511","0.0442","","","0.1031","0.1072","","","","","","1.05","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016880","10.36","0.0007","20.4629","0.0013","16.0513","0.001","90","","92.8","0.002","90","","3398.7","0.4","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Co Fe I2 O2 P2 -","- C34 H28 Co Fe I2 O2 P2 -","- C136 H112 Co4 Fe4 I8 O8 P8 -","4","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.0461","0.0427","","","0.1047","0.1073","","","","","","1.041","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016903","18.1703","0.0011","10.9178","0.0007","21.1239","0.0013","90","","91.105","0.001","90","","4189.8","0.5","294","2","294","2","","","","","","","","8","C 1 c 1","C -2yc","9","cis-chlorido(4-tert-butyl)pyridinebis (triphenylphosphane)platinum(ii) tetrafluoborate","cis-chlorido(4-tert-butyl)pyridinebis (triphenylphosphane)platinum(II) tetrafluoborate","","- C45 H43 B Cl F4 N P2 Pt -","- C45 H43 B Cl F4 N P2 Pt -","- C180 H172 B4 Cl4 F16 N4 P8 Pt4 -","4","1","","Rigamonti, Luca; Rusconi, Michele; Forni, Alessandra; Pasini, Alessandro","The role of the atomic charges on the ligands and platinum(ii) in affecting the cis and trans influences in [PtXL(PPh(3))(2)](+) complexes (X = NO(3), Cl, Br, I; L = 4-substituted pyridines, amines, PPh(3)). A (31)P NMR and DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10162","10173","10.1039/c1dt10963d","","","0.71073","MoKα","","0.0278","0.024","","","0.0517","0.0532","","","","","","0.907","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016940","11.8107","0.0011","12.052","0.0009","16.1426","0.0016","90","","95.827","0.012","90","","2285.9","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H31 Br2 N4 O2 Rh -","- C19 H31 Br2 N4 O2 Rh -","- C76 H124 Br8 N16 O8 Rh4 -","4","1","","Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin","Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9911","9920","10.1039/c1dt11116g","","","0.71073","MoKα","","0.0492","0.0274","","","0.0431","0.0486","","","","","","0.673","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016996","38.2718","0.0004","14.0298","0.0001","25.8175","0.0003","90","","121.802","0.002","90","","11781.5","0.3","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C221 H150 B4 Cl10 F96 N16 Rh4 -","- C221 H150 B4 Cl10 F96 N16 Rh4 -","- C442 H300 B8 Cl20 F192 N32 Rh8 -","2","0.5","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0466","0.0414","","","0.1077","0.1113","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017169","29.169","0.003","16.846","0.0016","32.562","0.004","90","","114.432","0.004","90","","14568","3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","((±)-2,7,12-trimethoxy-3,8,13-tris(4-(3-pyridyl)benzoyl)- 10,15-dihydro-5H-tribenzo(a,d,g)cyclononane) diethylether N- methylpyrrolidone clathrate","[(±)-2,7,12-trimethoxy-3,8,13-tris[4- (3-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane] diethylether N-methylpyrrolidone clathrate","","- C74 H73 N5 O12 -","- C74 H73 N5 O12 -","- C592 H584 N40 O96 -","8","2","","Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.","New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12217","12227","10.1039/c1dt10662g","","","0.71073","MoKα","","0.1266","0.1017","","","0.2729","0.295","","","","","","1.044","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017266","15.708","0.003","18.709","0.003","14.422","0.002","90","","101.312","0.018","90","","4156","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H50 Cl6 N2 Pd3 -","- C36 H50 Cl6 N2 Pd3 -","- C144 H200 Cl24 N8 Pd12 -","4","1","","Hart, John S.; Parsons, Simon; Love, Jason B.","Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12025","12027","10.1039/c1dt10861a","","","0.71073","MoKα","","0.1045","0.0687","","","0.1328","0.1537","","","","","","1.076","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017267","15.708","0.003","18.709","0.003","14.422","0.002","90","","101.312","0.018","90","","4156","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H50 Cl6 N2 Pd3 -","- C36 H50 Cl6 N2 Pd3 -","- C144 H200 Cl24 N8 Pd12 -","4","1","","Hart, John S.; Parsons, Simon; Love, Jason B.","Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12025","12027","10.1039/c1dt10861a","","","0.71073","MoKα","","0.0874","0.0641","","","0.1433","0.16","","","","","","1.062","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017268","33.4649","0.0008","33.4755","0.0008","26.6222","0.0006","90","","127.581","0.002","90","","23635","1.2","130","2","130","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C12 H74 As2 Dy2 K7 N2 Na O109 W21 -","- C12 H8 As2 Dy2 K3.5 N2 O108.5 W21 -","- C96 H64 As16 Dy16 K28 N16 O868 W168 -","8","2","","Ritchie, Chris; Miller, Chloë E; Boskovic, Colette","The generation of a novel polyoxometalate-based 3D framework following picolinate-chelation of tungsten and potassium centres.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12037","12039","10.1039/c1dt10866b","","","1.54184","CuKα","","0.0786","0.0657","","","0.1586","0.1636","","","","","","0.921","","","","has coordinates","290444","2024-03-12","09:55:29",""
"7017329","13.403","0.003","14.09","0.003","12.618","0.003","90","","98.67","0.03","90","","2355.7","0.9","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H32 Cl N3 O Pd -","- C24 H32 Cl N3 O Pd -","- C96 H128 Cl4 N12 O4 Pd4 -","4","1","","Zhang, Wenjuan; Wang, Youhong; Yu, Jiangang; Redshaw, Carl; Hao, Xiang; Sun, Wen-Hua","2-(N-Alkylcarboxamide)-6-iminopyridyl palladium and nickel complexes: coordination chemistry and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12856","12865","10.1039/c1dt11079a","","","0.71073","MoKα","","0.0389","0.0365","","","0.0941","0.1087","","","","","","1.076","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017845","21.639","0.008","11.066","0.004","21.408","0.012","90","","113.206","0.004","90","","4712","4","125","2","125","2","","","","","","","","8","C 1 c 1","C -2yc","9","bis(mu-S-5-nitrofuryl-N-ethylthiosemicarbazonato)-bis(p- cymene)-di-ruthenium(ii) dihexafluorophosphate hydrate","bis(μ-S-5-nitrofuryl-N-ethylthiosemicarbazonato)-bis(p-cymene)-di- ruthenium(II) dihexafluorophosphate hydrate","","- C36 H48 F12 N8 O7 P2 Ru2 S2 -","- C36 H48 F12 N8 O7 P2 Ru2 S2 -","- C144 H192 F48 N32 O28 P8 Ru8 S8 -","4","1","","Demoro, Bruno; Sarniguet, Cynthia; Sánchez-Delgado, Roberto; Rossi, Miriam; Liebowitz, Daniel; Caruso, Francesco; Olea-Azar, Claudio; Moreno, Virtudes; Medeiros, Andrea; Comini, Marcelo A.; Otero, Lucía; Gambino, Dinorah","New organoruthenium complexes with bioactive thiosemicarbazones as co-ligands: potential anti-trypanosomal agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1534","1543","10.1039/c1dt11519g","","","0.71073","MoKα","","0.06","0.0425","","","0.0738","0.0798","","","","","","0.988","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017867","10.5009","0.0003","21.7757","0.0006","10.8067","0.0003","90","","93.286","0.003","90","","2467.05","0.12","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H30 Cu3 N2 O14 -","- C16 H30 Cu3 N2 O14 -","- C64 H120 Cu12 N8 O56 -","4","1","","Swadźba-Kwaśny, Małgorzata; Chancelier, Léa; Ng, Shieling; Manyar, Haresh G.; Hardacre, Christopher; Nockemann, Peter","Facile in situ synthesis of nanofluids based on ionic liquids and copper oxide clusters and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","219","227","10.1039/c1dt11578b","","","0.71073","MoKα","","0.0454","0.0373","","","0.09","0.0947","","","","","","1.054","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017951","21.332","0.004","4.2229","0.0009","13.474","0.003","90","","117.087","0.002","90","","1080.6","0.4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C2 H4 Au Br2 K N2 O2 -","- C2 H4 Au Br2 K N2 O2 -","- C8 H16 Au4 Br8 K4 N8 O8 -","4","1","","Ovens, Jeffrey S.; Truong, Kimberley N.; Leznoff, Daniel B.","Structural organization and dimensionality at the hands of weak intermolecular Au···Au, Au···X and X···X (X = Cl, Br, I) interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1345","1351","10.1039/c1dt11741f","","","0.71073","MoKα","","0.0563","0.0478","","0.0813","0.0655","0.0643","","","","","","1.1468","","","","has coordinates,has disorder","188927","2020-10-21","18:00:00",""
"7017959","14.594","0.003","15.259","0.003","10.423","0.002","90","","96.64","0.03","90","","2305.5","0.8","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","Cp*Ir(mu-NtBu)HfCp2","","","- C24 H34 Hf Ir N -","- C24 H34 Hf Ir N -","- C96 H136 Hf4 Ir4 N4 -","4","1","","Curley, John J.; Bergman, Robert G.; Tilley, T. Don","Preparation and physical properties of early-late heterobimetallic compounds featuring Ir-M bonds (M = Ti, Zr, Hf).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","192","200","10.1039/c1dt11753j","","","0.71073","MoKα","","0.0465","0.0375","","","0.0759","0.0833","","","","","","1.065","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7018103","11.794","0.006","10.806","0.006","28.856","0.017","90","","93.435","0.015","90","","3671","4","125","","125","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H18 S2 -","- C24 H18 S2 -","- C192 H144 S16 -","8","2","","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","","","0.1116","","","","0.3176","","","","","","1.014","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018120","8.6311","0.0003","13.7336","0.0003","15.1029","0.0005","90","","95.746","0.001","90","","1781.24","0.09","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","","Sarma, Moushumi; Mondal, Biplab","Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2927","2934","10.1039/c2dt11082b","","","0.71073","MoKα","","0.0335","0.0329","","","0.0893","0.09","","","","","","0.935","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018202","17.81","0.0004","7.417","0.0001","19.225","0.0006","90","","91.915","0.002","90","","2538.14","0.1","150","2","150","2","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C27 H26 Cl2 N O2 P Pt -","- C27 H26 Cl2 N O2 P Pt -","- C108 H104 Cl8 N4 O8 P4 Pt4 -","4","1","","Benedetti, Michele; Barone, Carmen R.; Antonucci, Daniela; Vecchio, Vita M.; Ienco, Andrea; Maresca, Luciana; Natile, Giovanni; Fanizzi, Francesco P.","Modulation of properties in analogues of Zeise's anion on changing the ligand trans to ethene. X-Ray crystal structures of trans-[PtCl(2)(OH)(η(2)-C(2)H(4))](-) and trans-[PtCl(2)(η(1)-CH(2)NO(2))(η(2)-C(2)H(4))](-).","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3014","3021","10.1039/c2dt11934j","","x-ray","0.71069","MoKα","","0.0382","0.0339","","","0.0735","0.077","","","","","","1.023","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018317","13.2194","0.0007","12.9069","0.0007","15.6042","0.0008","90","","101.736","0.001","90","","2606.8","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H22 Au2 Br2 P2 -","- C26 H22 Au2 Br2 P2 -","- C104 H88 Au8 Br8 P8 -","4","1","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0265","0.0259","","","0.0624","0.0626","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018318","13.34","0.004","12.988","0.004","16.396","0.005","90","","103.629","0.006","90","","2760.8","1.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H22 Au2 I2 P2 -","- C26 H22 Au2 I2 P2 -","- C104 H88 Au8 I8 P8 -","4","1","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0651","0.0554","","","0.136","0.1427","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018444","9.837","0.0019","16.889","0.003","35.248","0.007","90","","91.773","0.002","90","","5853.2","1.9","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H66 N6 O19 P6 Sn7 -","- C36 H66 N6 O19 P6 Sn7 -","- C144 H264 N24 O76 P24 Sn28 -","4","1","","Perry, Houston P.; Gagnon, Kevin J.; Law, Justin; Teat, Simon; Clearfield, Abraham","Divalent metal phosphonate coordination polymers constructed from a dipiperidine-based bisphosphonate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3985","3994","10.1039/c2dt11986b","","","0.71073","MoKα","","0.0464","0.0424","","","0.0849","0.0867","","","","","","1.115","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018518","24.127","0.005","41.811","0.008","20.186","0.004","90","","115.27","0.03","90","","18414","8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C90 H54 O15 Zn3 -","- C90 H54 O15 Zn3 -","- C360 H216 O60 Zn12 -","4","1","","Hauptvogel, Ines Maria; Bon, Volodymyr; Grünker, Ronny; Baburin, Igor A.; Senkovska, Irena; Mueller, Uwe; Kaskel, Stefan","A family of 2D and 3D coordination polymers involving a trigonal tritopic linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4172","4179","10.1039/c2dt12072k","","","0.88561","synchrotron","","0.071","0.0567","","","0.1484","0.1576","","","","","","0.912","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018550","13.534","0.003","22.985","0.003","10.2524","0.0014","90","","109.164","0.008","90","","3012.6","0.9","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 Cl Ir N4 -","- C24 H24 Cl Ir N4 -","- C96 H96 Cl4 Ir4 N16 -","4","1","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.0201","0.0182","","","0.047","0.0474","","","","","","1.078","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018722","19.4317","0.0008","17.0627","0.0007","22.8784","0.0009","90","","102.013","0.001","90","","7419.4","0.5","40","","40","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H6 Cl2 F12 Si -","- C16 H6 Cl2 F12 Si -","- C256 H96 Cl32 F192 Si16 -","16","4","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","x-ray","0.71073","MoKα","K-L~3~","0.0504","0.0427","","","0.0984","0.1019","","","","","","1.043","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018728","13.8685","0.0003","13.761","0.0003","17.4025","0.0004","90","","102.68","0.01","90","","3240.17","0.18","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H12 F24 Sn -","- C32 H12 F24 Sn -","- C128 H48 F96 Sn4 -","4","1","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","","0.71073","MoKα","","0.037","0.0359","","","0.0974","0.0987","","","","","","1.007","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7019220","30.973","0.012","13.498","0.005","15.162","0.006","90","","101.442","0.008","90","","6213","4","299","2","299","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28.5 H27 Cl Mo2 N6 O4 -","- C28.5 H27 Cl Mo2 N6 O4 -","- C228 H216 Cl8 Mo16 N48 O32 -","8","2","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Alegria, Elisabete C. B.; Pombeiro, Armando J. L.","Molybdenum- and tungsten(ii) monometallic 3-(2-pyridyl)pyrazole and bimetallic 3-(2-pyridyl)pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7017","7025","10.1039/c2dt12388f","","","0.71073","MoKα","","0.0873","0.0536","","","0.1184","0.1388","","","","","","0.954","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019234","8.931","0.005","16.763","0.009","18.452","0.01","90","","91.83","0.005","90","","2761","3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C11 H16 Ag B11 Cl11 F O -","- C11 H16 Ag B11 Cl11 F O -","- C44 H64 Ag4 B44 Cl44 F4 O4 -","4","1","","Ramírez-Contreras, Rodrigo; Ozerov, Oleg V.","Convenient C-alkylation of the [HCB(11)Cl(11)](-) carborane anion.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7842","7844","10.1039/c2dt12431a","","","0.71073","MoKα","","0.0233","0.0225","","","0.0561","0.0566","","","","","","1.03","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019282","34.498","0.0008","17.8985","0.0004","16.8592","0.0004","90","","108.144","0.001","90","","9892.3","0.4","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","Cr2Mn(dpa)4(OTf)2(CH2Cl2)0.65","","","- C42.65 H33.3 Cl1.3 Cr2 F6 Mn N12 O6 S2 -","- C42.65 H33.3 Cl1.3 Cr1.995 F6 Mn N12 O6 S2 -","- C341.2 H266.4 Cl10.4 Cr15.96 F48 Mn8 N96 O48 S16 -","8","2","","Turov, Yevgeniya; Berry, John F.","Synthesis, characterization and thermal properties of trimetallic N(3)-Cr[quadruple bond, length as m-dash]CrM-N(3) azide complexes with M = Cr, Mn, Fe, and Co.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8153","8161","10.1039/c2dt30150d","","","0.71073","MoKα","","0.0692","0.0624","","","0.1624","0.1673","","","","","","1.093","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019593","26.956","0.001","26.4805","0.001","20.1034","0.0008","90","","111.021","0.001","90","","13395","0.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C146 H250 As16 N22 O127 V32 -","- C146 H250 As16 N22 O127 V32 -","- C292 H500 As32 N44 O254 V64 -","2","0.5","","Chen, Baokuan; Wang, Bo; Lin, Zhengguo; Fan, Linyuan; Gao, Yuanzhe; Chi, Yingnan; Hu, Changwen","Controlled solvothermal synthesis of novel organic functionalized polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6910","6913","10.1039/c2dt30660c","","","0.71073","MoKα","","0.0438","0.0371","","","0.0976","0.1007","","","","","","1.036","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019641","4.6767","0.0001","11.2392","0.0004","6.3308","0.0002","90","","90.019","0.002","90","","332.762","0.017","200","0.2","200","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H I O4 Zn -","- H I O4 Zn -","- H4 I4 O16 Zn4 -","4","1","","Lee, Dong Woo; Kim, Saet Byeol; Ok, Kang Min","ZnIO(3)(OH): a new layered noncentrosymmetric polar iodate - hydrothermal synthesis, crystal structure, and second-harmonic generating (SHG) properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8348","8353","10.1039/c2dt30947e","","","0.71073","MoKα","","0.0355","0.0349","","","0.0938","0.0946","","","","","","1.088","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019861","11.756","0.005","21.816","0.011","12.863","0.007","90","","93.458","0.019","90","","3293","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H41 Br Cl2 N2 Ni -","- C33 H41 Br Cl2 N2 Ni -","- C132 H164 Br4 Cl8 N8 Ni4 -","4","1","","Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying","Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9639","9645","10.1039/c2dt30778b","","","0.71073","MoKα","","0.0674","0.0435","","","0.0904","0.1037","","","","","","1.081","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7020165","17.281","0.006","17.298","0.006","18.867","0.006","90","","90.172","0.007","90","","5640","3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H50 Cl6 Co2 N8 O21 -","- C46 H48 Cl6 Co2 N8 O21 -","- C184 H192 Cl24 Co8 N32 O84 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0887","0.0836","","","0.2239","0.2292","","","","","","1.014","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7020255","30.8974","0.0009","21.7294","0.0006","20.8416","0.0006","90","0","118.402","0.0015","90","0","12308.4","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C192 H216 F72 N28 O36 P12 Pd4 -","- C192 H216 F72 N28 O36 P12 Pd4 -","- C384 H432 F144 N56 O72 P24 Pd8 -","2","0.5","","Alvariño, Cristina; Terenzi, Alessio; Blanco, Víctor; García, Marcos D; Peinador, Carlos; Quintela, José M","[2]Catenanes and inclusion complexes derived from self-assembled rectangular Pd(II) and Pt(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11992","11998","10.1039/c2dt31116j","","","0.71073","MoKα","","0.1244","0.0909","","","0.2375","0.2778","","","","","","1.05","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020366","6.9305","0.0012","7.8963","0.0013","30.874","0.006","90","","90.2","0.03","90","","1689.6","0.5","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H18 Mn N2 O12 -","- C12 H18 Mn N2 O12 -","- C48 H72 Mn4 N8 O48 -","4","1","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.1146","0.0829","","","0.2256","0.2445","","","","","","1.155","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020610","15.856","0.005","14.353","0.005","13.141","0.005","90","","106.517","0.005","90","","2867.2","1.7","293","2","293","2","","","","","","","synthesized by the authors, see text","5","C 1 c 1","C -2yc","9","","bis(1,10-phenanthroline-N,N')(oxalato-O,O')chromium(III) nitrate oxalic acid monohydrate","","- C28 H20 Cr N5 O12 -","- C28 H20 Cr N5 O12 -","- C112 H80 Cr4 N20 O48 -","4","1","","Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica","Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14611","14624","10.1039/c2dt32249h","","x-ray","1.54179","CuKα","","0.0372","0.0355","","","0.1011","0.1032","","","","","","1.089","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020689","9.506","0.004","17.63","0.007","12.782","0.005","90","","92.101","0.007","90","","2140.7","1.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","trisaqua(1,4,7-trioxa-10,13-dithiacyclopentadecane)strontium iodide","trisaqua(1,4,7-trioxa-10,13-dithiacyclopentadecane)strontium iodide","","- C10 H26 I2 O6 S2 Sr -","- C10 H20 I2 O6 S2 Sr -","- C40 H80 I8 O24 S8 Sr4 -","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","","0.101","0.0617","","","0.1323","0.1496","","","","","","1.037","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020822","15.6162","0.0003","15.6658","0.0003","25.5674","0.0004","90","","91.976","0.001","90","","6251.1","0.2","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H56 Cu2 N4 O16 P4 -","- C68 H56 Cu2 N4 O16 P4 -","- C272 H224 Cu8 N16 O64 P16 -","4","1","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0364","0.0306","","","0.0718","0.0742","","","","","","0.921","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020853","25.97","0.02","11.156","0.008","16.699","0.013","90","","118.877","0.014","90","","4236","6","100","2","100","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","[CuCl(1,10-phenanthroline)(4,6-dimethylpyrimidine-2-thione)] dichloromethanate","","- C19 H18 Cl3 Cu N4 S -","- C19 H18 Cl3 Cu N4 S -","- C152 H144 Cl24 Cu8 N32 S8 -","8","2","","Papazoglou, Ioannis; Cox, Philip J.; Papadopoulos, Anastasios G.; Sigalas, Michael P.; Aslanidis, Paraskevas","Copper(i) complexes of 1,10-phenanthroline and heterocyclic thioamides: an experimental and theoretical (DFT) investigation of the photophysical characteristics.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2755","2764","10.1039/c2dt32167j","","x-ray","0.71073","MoKα","","0.093","0.0775","","","0.1741","0.1861","","","","","","1.115","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7021071","21.9871","0.0007","16.3897","0.0003","16.9181","0.0005","90","","119.432","0.001","90","","5309.8","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H63 Cl Cu2 N12 O19 -","- C44 H63 Cl Cu2 N12 O19 -","- C176 H252 Cl4 Cu8 N48 O76 -","4","1","","Esteves, Catarina V.; Lima, Luís M P; Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","Cyclen derivatives with two trans-methylnitrophenolic pendant arms: a structural study of their copper(ii) and zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6149","6160","10.1039/c2dt32363j","","","0.71073","MoKα","","0.0934","0.069","","","0.1544","0.1946","","","","","","1.155","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021072","23.2324","0.001","10.1166","0.0005","12.6511","0.0006","90","","122.37","0.002","90","","2511.4","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 Cu N6 O7 -","- C24 H30 Cu N6 O7 -","- C96 H120 Cu4 N24 O28 -","4","1","","Esteves, Catarina V.; Lima, Luís M P; Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","Cyclen derivatives with two trans-methylnitrophenolic pendant arms: a structural study of their copper(ii) and zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6149","6160","10.1039/c2dt32363j","","","0.71073","MoKα","","0.0664","0.055","","","0.154","0.168","","","","","","1.162","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021112","10.2279","0.0018","8.4464","0.0015","12.946","0.002","90","","109.452","0.002","90","","1054.6","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 Cl4 O3 W -","- C4 H7 Cl4 O3 W -","- C16 H28 Cl16 O12 W4 -","4","1","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0351","0.0334","","","0.0724","0.0733","","","","","","0.989","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021265","33.9274","0.001","19.5014","0.0005","33.3186","0.001","90","","94.534","0.002","90","","21975.7","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C184 H156 B12 Cu6 F48 N44 -","- C184 H156 B9 Cu6 F36 N44 -","- C736 H624 B36 Cu24 F144 N176 -","4","1","","Stephenson, Andrew; Sykes, Daniel; Ward, Michael D.","Cu12 and Cd16 coordination cages and their Cu3 and Cd3 subcomponents, and the role of inter-ligand π-stacking in stabilising cage complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6756","6767","10.1039/c3dt50161b","","","0.71073","MoKα","","0.1444","0.0963","","","0.2433","0.268","","","","","","1.01","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021302","14.2786","0.0006","18.6712","0.0007","11.8323","0.0004","90","","92.933","0.002","90","","3150.3","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H31 Cl2 Cu N5 O -","- C36 H31 Cl2 Cu N5 O -","- C144 H124 Cl8 Cu4 N20 O4 -","4","1","","Hua, Carol; Turner, Peter; D'Alessandro, Deanna M","Electrochemical and optical properties of a redox-active Cu(ii) coordination framework incorporating the tris(4-(pyridin-4-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6310","6313","10.1039/c3dt50377a","","","0.71073","MoKα","","0.0372","0.0344","","","0.0976","0.11","","","","","","1.608","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021354","29.253","0.003","16.9817","0.0016","33.515","0.003","90","","100.63","0.003","90","","16363","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C181 H206 Cl2 N18 O12 P2 Zn6 -","- C181 H206 Cl2 N18 O12 P2 Zn6 -","- C724 H824 Cl8 N72 O48 P8 Zn24 -","4","1","","Anselmo, Daniele; Gramage-Doria, Rafael; Besset, Tatiana; Escárcega-Bobadilla, Martha V; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Reek, Joost N. H.; Kleij, Arjan W.","Supramolecular bulky phosphines comprising 1,3,5-triaza-7-phosphaadamantane and Zn(salphen)s: structural features and application in hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7595","7603","10.1039/c3dt00078h","","","0.71073","MoKα","","0.0571","0.0435","","","0.1002","0.1064","","","","","","1.017","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021504","17.9949","0.0012","14.7759","0.001","14.0239","0.0009","90","","122.87","0.002","90","","3131.9","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H18 B F10 N4 P -","- C33 H18 B F10 N4 P -","- C132 H72 B4 F40 N16 P4 -","4","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.0338","0.031","","","0.0743","0.0763","","","","","","0.946","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021506","16.25","0.002","20.594","0.003","24.262","0.004","90","","107.673","0.003","90","","7736","2","147","2","147","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H30 B4 F40 N6 O12 P4 -","- C64 H30 B4 F40 N6 O12 P4 -","- C256 H120 B16 F160 N24 O48 P16 -","4","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.068","0.0528","","","0.1233","0.1327","","","","","","1.012","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021585","26.076","0.002","14.2392","0.0011","22.762","0.003","90","","122.822","0.001","90","","7102.3","1.2","191","2","191","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H76 Cl2 Dy3 N5 O29 -","- C53 H68 Cl2 Dy3 N5 O29 -","- C212 H272 Cl8 Dy12 N20 O116 -","4","1","","Shen, Si; Xue, Shufang; Lin, Shuang-Yan; Zhao, Lang; Tang, Jinkui","A triangular dysprosium with asymmetric central caps featuring ferromagnetic coupling and single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10413","10416","10.1039/c3dt51235e","","","0.71073","MoKα","","0.067","0.054","","","0.1326","0.1412","","","","","","1.033","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021634","30.106","0.003","9.3586","0.0008","23.564","0.002","90","","128.22","0.002","90","","5216","0.8","113","","113","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C43 H49.5 O22.75 Pt4 -","- C43 H50.25 O22.75 Pt4 -","- C172 H201 O91 Pt16 -","4","1","","Tanaka, Shinji; Nagata, Naoto; Tagawa, Naoki; Hirata, Hirohito; Matsumoto, Shin-Ichi; Tsurugi, Hayato; Mashima, Kazushi","Tetraplatinum cluster complexes bearing hydrophilic anchors as precursors for γ-Al2O3-supported platinum nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12662","12666","10.1039/c3dt50670c","","","0.71075","MoKα","","","0.039","","","","0.1041","","","","","","1.155","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021675","14.4789","0.001","15.7622","0.001","18.874","0.001","90","","110.076","0.002","90","","4045.7","0.4","180","2","180","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C43 H59 N5 Ti -","- C43 H59 N5 Ti -","- C172 H236 N20 Ti4 -","4","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0601","0.0407","","","0.0836","0.0907","","","","","","1.016","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021695","14.227","0.003","20.179","0.004","17.729","0.004","90","","109.899","0.004","90","","4785.9","1.8","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H40 N2 P4 Se4 Sn -","- C48 H40 N2 P4 Se4 Sn -","- C192 H160 N8 P16 Se16 Sn4 -","4","1","","Rufino-Felipe, Ernesto; Osorio, Edison; Merino, Gabriel; Muñoz-Hernández, Miguel-Ángel","Do planar tetracoordinate tin complexes really exist?","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11180","11185","10.1039/c3dt50943e","","","0.71073","MoKα","","0.0471","0.0329","","","0.045","0.0468","","","","","","0.881","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021920","8.948","0.0018","22.429","0.005","11.469","0.002","90","","91.28","0.03","90","","2301.2","0.8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H19 Cl2 Fe N6 O3 S2 -","- C18 H19 Cl2 Fe N6 O3 S2 -","- C72 H76 Cl8 Fe4 N24 O12 S8 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Gagnon, Kevin J.; Cai, Hong-Ling; Yamamoto, Takashi; Einaga, Yasuaki; Zhao, Han-Hua; Kanegawa, Shinji; Sato, Osamu; Dunbar, Kim R.; Xiong, Ren-Gen","A neutral Fe(iii) compound exhibiting a two-step spin transition and dielectric anomalies.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14685","14688","10.1039/c3dt51554k","","","0.71073","MoKα","","0.1808","0.0837","","","0.1845","0.2389","","","","","","0.962","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021921","8.9606","0.0018","22.354","0.005","11.337","0.002","90","","91.2","0.03","90","","2270.4","0.8","260","2","260","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H19 Cl2 Fe N6 O3 S2 -","- C18 H19 Cl2 Fe N6 O3 S2 -","- C72 H76 Cl8 Fe4 N24 O12 S8 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Gagnon, Kevin J.; Cai, Hong-Ling; Yamamoto, Takashi; Einaga, Yasuaki; Zhao, Han-Hua; Kanegawa, Shinji; Sato, Osamu; Dunbar, Kim R.; Xiong, Ren-Gen","A neutral Fe(iii) compound exhibiting a two-step spin transition and dielectric anomalies.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14685","14688","10.1039/c3dt51554k","","","0.71073","MoKα","","0.1574","0.0786","","","0.1342","0.1743","","","","","","1.129","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021922","8.9434","0.0018","22.298","0.005","11.27","0.002","90","","91.301","0.003","90","","2246.9","0.8","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H19 Cl2 Fe N6 O3 S2 -","- C18 H19 Cl2 Fe N6 O3 S2 -","- C72 H76 Cl8 Fe4 N24 O12 S8 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Gagnon, Kevin J.; Cai, Hong-Ling; Yamamoto, Takashi; Einaga, Yasuaki; Zhao, Han-Hua; Kanegawa, Shinji; Sato, Osamu; Dunbar, Kim R.; Xiong, Ren-Gen","A neutral Fe(iii) compound exhibiting a two-step spin transition and dielectric anomalies.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14685","14688","10.1039/c3dt51554k","","","0.71073","MoKα","","0.0587","0.0486","","","0.1129","0.1191","","","","","","1.027","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7022010","12.4834","0.0005","31.2286","0.0014","23.0942","0.001","90","","100.656","0.002","90","","8847.8","0.7","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 F24 N4 O16 Tb2 Zn2 -","- C78 H74 F24 N4 O16 Tb2 Zn2 -","- C312 H296 F96 N16 O64 Tb8 Zn8 -","4","1","","Abtab, Sk Md Towsif; Audhya, Anandalok; Kundu, Nabanita; Samanta, Swarna Kamal; Sardar, Pinki Saha; Butcher, Ray J.; Ghosh, Sanjib; Chaudhury, Muktimoy","Tetranuclear homo- (Zn(II)4 and Cd(II)4) and hetero-metal (Zn(II)2Tb(III)2 and Cd(II)2Tb(III)2) complexes with a pair of carboxylate ligands in a rare η2:η2:μ4-bridging mode: syntheses, structures and emission properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1848","1861","10.1039/c2dt30347g","","","0.71073","MoKα","","0.0607","0.0444","","","0.1095","0.1177","","","","","","1.012","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022087","15.1935","0.0005","8.8166","0.0002","12.1647","0.0003","90","","114.347","0.002","90","","1484.6","0.07","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- F7 Mn3 O10 P3 Rb3 -","- F7 Mn3 O10 P3 Rb3 -","- F28 Mn12 O40 P12 Rb12 -","4","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71073","MoKα","","0.0721","0.0649","","","0.1576","0.1637","","","","","","1.033","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022127","12.4354","0.0007","16.4185","0.0009","7.8451","0.0005","90","","99.368","0.005","90","","1580.38","0.16","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H13 B F2 N2 O2 -","- C19 H13 B F2 N2 O2 -","- C76 H52 B4 F8 N8 O8 -","4","1","","Singh, Roop Shikha; Yadav, Mahendra; Gupta, Rakesh Kumar; Pandey, Rampal; Pandey, Daya Shankar","Luminescent N,O-chelated chroman-BF2 complexes: structural variants of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1696","1707","10.1039/c2dt31820b","","","0.71073","MoKα","","0.0346","0.0307","","","0.0677","0.0688","","","","","","1.055","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022280","9.739","0.002","17.035","0.003","11.652","0.006","90","","103.84","0.03","90","","1877","1.1","122","1","122","1","","","","","","","","7","C 1 c 1","C -2yc","9","rac-cdelta*-bis(ethane-1,2-diamine)((S*)-N-methyl-3-nitro- (R*)-alaninato-kappa$2!N,O$1!)cobalt(iii) tetrachloridozincate","rac-Δ*-bis(ethane-1,2-diamine)[(<i>S</i>*)-<i>N</i>-methyl-3-nitro-(<i>R</i>*)- alaninato-κ^2^<i>N,O</i>^1^]cobalt(III) tetrachloridozincate","","- C8 H23 Cl4 Co N6 O4 Zn -","- C8 H23 Cl4 Co N6 O4 Zn -","- C32 H92 Cl16 Co4 N24 O16 Zn4 -","4","1","","Oerum, Stephanie; Krabbe, Peter; Schau-Magnussen, Magnus; Furbo, Søren; Bendix, Jesper; Hammershøi, Anders","Highly stereoselective, cobalt(III)-directed Mannich additions in water yielding α-methylamino acid products.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","292","298","10.1039/c2dt32250a","","","0.71073","MoKα","","0.0475","0.0411","","","0.1028","0.1094","","","","","","1.12","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022800","13.1157","0.0008","16.0029","0.001","12.0041","0.0019","90","","94.323","0.012","90","","2512.4","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H34 Cl3 Cu2 N3 O2 -","- C21 H34 Cl3 Cu2 N3 O2 -","- C84 H136 Cl12 Cu8 N12 O8 -","4","1","","de Almeida, Vicente R.; Xavier, Fernando R.; Osório, Renata E H M B; Bessa, Luiza M.; Schilling, Eduardo L.; Costa, Thiago G.; Bortolotto, Tiago; Cavalett, Angélica; Castro, Frederico A. V.; Vilhena, Felipe; Alves, Odivaldo C.; Terenzi, Hernán; Eleutherio, Elis C. A.; Pereira, Marcos D.; Haase, Wolfgang; Tomkowicz, Zbigniew; Szpoganicz, Bruno; Bortoluzzi, Adailton J.; Neves, Ademir","In vitro and in vivo activity of a new unsymmetrical dinuclear copper complex containing a derivative ligand of 1,4,7-triazacyclononane: catalytic promiscuity of [Cu2(L)Cl3].","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7059","7073","10.1039/c3dt33046j","","","0.71069","MoKα","","0.0385","0.0299","","","0.0751","0.0784","","","","","","1.103","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022816","15.743","0.002","9.4359","0.0014","17.663","0.003","90","","90.993","0.002","90","","2623.4","0.7","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N,N-bis(phenyl)-2,6-bis-(benzimidazol-2-yl)pyridine dichoride zinc(II)","","- C31 H21 Cl2 N5 Zn -","- C31 H21 Cl2 N5 Zn -","- C124 H84 Cl8 N20 Zn4 -","4","1","","Liu, Shenggui; Cao, Wenqiang; Yu, Lianling; Zheng, Wenjie; Li, Linlin; Fan, Cundong; Chen, Tianfeng","Zinc(II) complexes containing bis-benzimidazole derivatives as a new class of apoptosis inducers that trigger DNA damage-mediated p53 phosphorylation in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5932","5940","10.1039/c3dt33077j","","","0.71073","MoKα","","0.0351","0.0287","","","0.0631","0.0663","","","","","","1.095","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7023063","15.927","0.003","10.223","0.002","13.508","0.003","90","","100.04","0.03","90","","2165.7","0.8","295","0.2","295","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H19 N2 O8 Re -","- C23 H19 N2 O8 Re -","- C92 H76 N8 O32 Re4 -","4","1","","Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C","Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids‒synthesis, structural characterization and catalytic application in epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8827","8837","10.1039/c3dt50625h","","","0.71073","MoKα","","0.0415","0.0368","","","0.0854","0.0876","","","","","","1.075","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023284","13.7242","0.0004","14.892","0.0004","17.5053","0.0005","90","","100.697","0.001","90","","3515.57","0.17","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H26 Al Cl2 N3 -","- C14 H26 Al Cl2 N3 -","- C112 H208 Al8 Cl16 N24 -","8","2","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.0303","0.0267","","","0.0656","0.0674","","","","","","1.03","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023333","21.4665","0.0007","13.2801","0.0005","11.3188","0.0004","90","","112.445","0.001","90","","2982.3","0.18","203","","203","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H35 Cl2 N5 O15 U -","- C15 H35 Cl2 N5 O15 U -","- C60 H140 Cl8 N20 O60 U4 -","4","1","","Takao, Koichiro; Takao, Shinobu; Ikeda, Yasuhisa; Bernhard, Gert; Hennig, Christoph","Uranyl-halide complexation in N,N-dimethylformamide: halide coordination trend manifests hardness of [UO2]2+.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13101","13111","10.1039/c3dt51191j","","","0.71075","MoKα","","","0.0489","","","","0.1254","","","","","","1.031","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023433","28.719","0.006","17.244","0.003","25.316","0.005","90","","110.65","0.03","90","","11732","5","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C126 H90 Cu6 N12 -","- C126 H90 Cu6 N12 -","- C504 H360 Cu24 N48 -","4","1","","Duan, Peng-Cheng; Wang, Zhao-Yang; Chen, Jing-Huo; Yang, Guang; Raptis, Raphael G.","Trigonal prismatic Cu(i) and Ag(i) pyrazolato nanocage hosts: encapsulation of S8 and hydrocarbon guests.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14951","14954","10.1039/c3dt51332g","","","0.71073","MoKα","","0.0752","0.0492","","","0.1134","0.1247","","","","","","0.966","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023434","29.531","0.006","17.782","0.004","25.286","0.005","90","","112.31","0.03","90","","12284","5","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C139.75 H115.75 Ag6 Cl5.25 N12 -","- C139.75 H115.75 Ag6 Cl5.25 N12 -","- C559 H463 Ag24 Cl21 N48 -","4","1","","Duan, Peng-Cheng; Wang, Zhao-Yang; Chen, Jing-Huo; Yang, Guang; Raptis, Raphael G.","Trigonal prismatic Cu(i) and Ag(i) pyrazolato nanocage hosts: encapsulation of S8 and hydrocarbon guests.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14951","14954","10.1039/c3dt51332g","","","0.71073","MoKα","","0.0808","0.0655","","","0.1308","0.1419","","","","","","1.08","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023673","20.901","0.002","13.821","0.0015","15.4388","0.0012","90","","91.843","0.009","90","","4457.5","0.7","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H22 F18 N3 O7 Sm -","- C31 H22 F18 N3 O7 Sm -","- C124 H88 F72 N12 O28 Sm4 -","4","1","","Li, Xi-Li; Chen, Chun-Lai; Xiao, Hong-Ping; Wang, Ai-Ling; Liu, Cai-Ming; Zheng, Xianjun; Gao, Li-Jun; Yang, Xiao-Gang; Fang, Shao-Ming","Luminescent, magnetic and ferroelectric properties of noncentrosymmetric chain-like complexes composed of nine-coordinate lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15317","15325","10.1039/c3dt51743h","","","0.71073","MoKα","","0.0528","0.0513","","","0.1279","0.1284","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023674","20.877","0.003","13.855","0.002","15.4357","0.0017","90","","92.156","0.011","90","","4461.6","1","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H22 Eu F18 N3 O7 -","- C31 H22 Eu F18 N3 O7 -","- C124 H88 Eu4 F72 N12 O28 -","4","1","","Li, Xi-Li; Chen, Chun-Lai; Xiao, Hong-Ping; Wang, Ai-Ling; Liu, Cai-Ming; Zheng, Xianjun; Gao, Li-Jun; Yang, Xiao-Gang; Fang, Shao-Ming","Luminescent, magnetic and ferroelectric properties of noncentrosymmetric chain-like complexes composed of nine-coordinate lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15317","15325","10.1039/c3dt51743h","","","0.71073","MoKα","","0.0554","0.0528","","","0.1344","0.1355","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023675","20.8003","0.0012","13.8884","0.0016","15.2874","0.0014","90","","92.294","0.002","90","","4412.7","0.7","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H22 F18 N3 O7 Tb -","- C31 H22 F18 N3 O7 Tb -","- C124 H88 F72 N12 O28 Tb4 -","4","1","","Li, Xi-Li; Chen, Chun-Lai; Xiao, Hong-Ping; Wang, Ai-Ling; Liu, Cai-Ming; Zheng, Xianjun; Gao, Li-Jun; Yang, Xiao-Gang; Fang, Shao-Ming","Luminescent, magnetic and ferroelectric properties of noncentrosymmetric chain-like complexes composed of nine-coordinate lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15317","15325","10.1039/c3dt51743h","","","0.71073","MoKα","","0.061","0.0581","","","0.1469","0.1479","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023676","20.8323","0.0012","13.9352","0.0019","15.2755","0.0013","90","","92.253","0.003","90","","4431.1","0.8","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H22 Dy F18 N3 O7 -","- C31 H22 Dy F18 N3 O7 -","- C124 H88 Dy4 F72 N12 O28 -","4","1","","Li, Xi-Li; Chen, Chun-Lai; Xiao, Hong-Ping; Wang, Ai-Ling; Liu, Cai-Ming; Zheng, Xianjun; Gao, Li-Jun; Yang, Xiao-Gang; Fang, Shao-Ming","Luminescent, magnetic and ferroelectric properties of noncentrosymmetric chain-like complexes composed of nine-coordinate lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15317","15325","10.1039/c3dt51743h","","","0.71073","MoKα","","0.0379","0.0368","","","0.0936","0.0938","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023952","18.5596","0.0006","10.9098","0.0003","15.4502","0.0005","90","","124.501","0.001","90","","2578.15","0.14","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H20 Cl2 Hf N6 O2 -","- C26 H20 Cl2 Hf N6 O2 -","- C104 H80 Cl8 Hf4 N24 O8 -","4","1","","Pappuru, Sreenath; Chokkapu, Eswara Rao; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group iv complexes containing the benzotriazole phenoxide ligand as catalysts for the ring-opening polymerization of lactides, epoxides and as precatalysts for the polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16412","16427","10.1039/c3dt52065j","","","0.71073","MoKα","","0.0127","0.0124","","","0.0322","0.0324","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7024007","8.61","0.0004","14.0284","0.0004","13.393","0.0007","90","","94.079","0.002","90","","1613.57","0.12","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","cyclophosphazene","","","- C6 H7 Cl3 F6 N3 O3 P3 -","- C6 H7 Cl3 F6 N3 O3 P3 -","- C24 H28 Cl12 F24 N12 O12 P12 -","4","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0244","0.0221","","","0.055","0.0565","","","","","","1.067","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024020","16.522","0.004","9.0451","0.0018","15.932","0.004","90","","116.341","0.003","90","","2133.7","0.9","123","","123","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H28 Fe O2 S2 Si2 -","- C17 H28 Fe O2 S2 Si2 -","- C68 H112 Fe4 O8 S8 Si8 -","4","1","","Sunada, Yusuke; Tsutsumi, Hironori; Shigeta, Keisuke; Yoshida, Ryota; Hashimoto, Toru; Nagashima, Hideo","Catalyst design for iron-promoted reductions: an iron disilyl-dicarbonyl complex bearing weakly coordinating η(2)-(H-Si) moieties.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16687","16692","10.1039/c3dt52598h","","","0.71075","MoKα","","","0.0272","","","","0.0652","","","","","","1.08","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024057","14.696","0.002","9.769","0.001","15.877","0.002","90","","108.114","0.002","90","","2166.4","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H18 Co3 N O7 S3 -","- C16 H18 Co3 N O7 S3 -","- C64 H72 Co12 N4 O28 S12 -","4","1","","Bruce, Michael I.; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.; Fox, Mark A.; Low, Paul J.","Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1222","1234","10.1039/b909708b","","","0.71073","MoKα","","0.0547","0.0448","","","0.1234","0.1347","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7024076","12.7485","0.0011","13.5326","0.0011","14.061","0.0011","90","","101.028","0.002","90","","2381","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H18 Ag3 Fe N7 -","- C19 H18 Ag3 Fe N7 -","- C76 H72 Ag12 Fe4 N28 -","4","1","","Kosone, Takashi; Suzuki, Yusuke; Ono, Syota; Kanadani, Chikahide; Saito, Toshiaki; Kitazawa, Takafumi","A new spin crossover heterometallic Fe(II)Ag(I) coordination polymer with the [Ag(2)(CN)(3)](-) unit: crystallographic and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1786","1790","10.1039/b910354f","","","0.71073","MoKα","","0.0689","0.0657","","","0.1245","0.1269","","","","","","1.25","","","","has coordinates,has disorder","179945","2020-10-21","18:00:00",""
"7024078","12.4686","0.001","13.0951","0.001","13.6139","0.0011","90","","99.954","0.002","90","","2189.4","0.3","80","2","80","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H18 Ag3 Fe N7 -","- C19 H18 Ag3 Fe N7 -","- C76 H72 Ag12 Fe4 N28 -","4","1","","Kosone, Takashi; Suzuki, Yusuke; Ono, Syota; Kanadani, Chikahide; Saito, Toshiaki; Kitazawa, Takafumi","A new spin crossover heterometallic Fe(II)Ag(I) coordination polymer with the [Ag(2)(CN)(3)](-) unit: crystallographic and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1786","1790","10.1039/b910354f","","","0.71073","MoKα","","0.0955","0.0948","","","0.1886","0.189","","","","","","1.366","","","","has coordinates,has disorder","179945","2020-10-21","18:00:00",""
"7024237","24.2992","0.0012","11.8936","0.0006","18.1891","0.0006","90","","93.565","0.002","90","","5246.6","0.4","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H55 B Fe N6 O4 -","- C62 H55 B Fe N6 O4 -","- C248 H220 B4 Fe4 N24 O16 -","4","1","","Ross, Tamsyn M.; Neville, Suzanne M.; Innes, David S.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.","Spin crossover in iron(III) Schiff-base 1-D chain complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","149","159","10.1039/b913234a","","","0.71073","MoKα","","0.0944","0.0814","","","0.1628","0.1753","","","","","","1.089","","","","has coordinates,has disorder","179947","2020-10-21","18:00:00",""
"7024317","30.958","0.003","16.109","0.001","19.613","0.002","90","","117.5","0.005","90","","8675.9","1.4","140","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H34 Fe2 N16 O2 S4 -","- C304 H272 Fe16 N128 O16 S32 -","8","2","","Kaiba, A.; Shepherd, H. J.; Fedaoui, D.; Rosa, P.; Goeta, A. E.; Rebbani, N.; Létard, J F; Guionneau, P.","Crystallographic elucidation of purely structural, thermal and light-induced spin transitions in an iron(II) binuclear complex.","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2910","2918","10.1039/b914841h","","","0.71069","MoKα","","0.0416","0.0347","","","0.0905","0.0972","","","","","","1.037","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7024381","14.0661","0.001","26.321","0.002","10.7327","0.001","90","","101.252","0.005","90","","3897.2","0.5","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tetrafluorobis(1,2-bis(methylthio)ethane-S,S')niobium(V) hexafluoroniobate(V)","Tetrafluorobis[1,2-bis(methylthio)ethane-S,S']niobium(V) hexafluoroniobate(V)","","- C8 H20 F10 Nb2 S4 -","- C8 H20 F10 Nb2 S4 -","- C64 H160 F80 Nb16 S32 -","8","2","","Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Six- and eight-coordinate thio- and seleno-ether complexes of NbF5 and some comparisons with NbCl5 and NbBr5 adducts.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","883","891","10.1039/b916336k","","","0.71073","MoKα","","0.0388","0.0354","","","0.0814","0.0838","","","","","","1.033","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024703","17.7239","0.0018","15.9708","0.0016","19.4016","0.0019","90","","98.152","0.001","90","","5436.4","0.9","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C53 H52 Cu3 N4 O18 -","- C53 H52 Cu3 N4 O18 -","- C212 H208 Cu12 N16 O72 -","4","1","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Li, Cheng-Peng; Du, Miao","Copper(II) 5-methoxyisophthalate coordination polymers incorporating dipyridyl co-ligands: syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2301","2308","10.1039/b920308g","","","0.71073","MoKα","","0.0337","0.0318","","","0.0789","0.0801","","","","","","1.027","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7024742","9.681","0.0006","18.5747","0.0012","16.5929","0.0011","90","","100.585","0.001","90","","2933","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H23 Bi N4 O11 -","- C30 H23 Bi N4 O11 -","- C120 H92 Bi4 N16 O44 -","4","1","","Anjaneyulu, O.; Prasad, T. K.; Swamy, K. C. Kumara","Coordinatively polymeric and monomeric bismuth(III) complexes with pyridine carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","1935","1940","10.1039/b920775a","","","0.71073","MoKα","","0.0253","0.024","","","0.0593","0.0599","","","","","","1.091","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7024747","11.303","0.0005","37.3427","0.0017","16.9524","0.0008","90","","107.53","0.001","90","","6823","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","Bis(tetra-n-butylammonium)-(cis(mu-7-azaindolato- kappaN1:N7)(mu-hydroxo)- tetrakis(pentafluorophenyl)diplatinate(ii)).chloroform","Bis(tetra-n-butylammonium)-[cis(μ-7-azaindolato-κN1:N7)(μ-hydroxo)- tetrakis(pentafluorophenyl)diplatinate(II)].chloroform","","- C64 H79 Cl3 F20 N4 O Pt2 -","- C64 H79 Cl2.99 F20 N4 O Pt2 -","- C256 H316 Cl11.96 F80 N16 O4 Pt8 -","4","1","","Ruiz, José; Rodríguez, Venancio; de Haro, Concepción; Espinosa, Arturo; Pérez, José; Janiak, Christoph","New 7-azaindole palladium and platinum complexes: crystal structures and theoretical calculations. In vitro anticancer activity of the platinum compounds.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3290","3301","10.1039/b920854b","","","0.71073","MoKα","","0.0239","0.0226","","","0.047","0.0474","","","","","","0.894","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7024772","13.1764","0.0005","23.0122","0.0009","41.4581","0.0014","90","","95.691","0.002","90","","12508.9","0.8","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C48.75 H61.5 Ag Cl1.5 F12 Mo3 P3 S4 -","- C48.75 H61.5 Ag Cl1.5 F12 Mo3 P3 S4 -","- C390 H492 Ag8 Cl12 F96 Mo24 P24 S32 -","8","2","","Chen, Pingping; Chen, Yanhui; Zhou, Yuhan; Peng, Ying; Qu, Jingping; Hidai, Masanobu","Heterometallic cubane-type clusters [M'Mo3S4] (M' = Au, Ag and Cu): synthesis, structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5658","5663","10.1039/b921176d","","","0.71073","MoKα","","0.0974","0.078","","","0.1924","0.205","","","","","","0.981","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7025064","20.695","0.004","15.641","0.003","13.224","0.003","90","","100.978","0.004","90","","4202.2","1.5","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H53 Cl3 Fe Mo3 P6 S5 -","- C24 H53 Cl3 Fe Mo3 P6 S5 -","- C96 H212 Cl12 Fe4 Mo12 P24 S20 -","4","1","","Algarra, Andrés G; Basallote, Manuel G.; Fernandez-Trujillo, M J; Llusar, Rosa; Pino-Chamorro, Jose A; Sorribes, Ivan; Vicent, Cristian","Site specific ligand substitution in cubane-type Mo3FeS(4)(4+) clusters: kinetics and mechanism of reaction and isolation of mixed ligand Cl/SPh complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","15","3725","3735","10.1039/b924801c","","","0.71073","MoKα","","0.1614","0.0804","","","0.1516","0.1861","","","","","","1.03","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025159","9.982","0.002","20.133","0.004","12.113","0.002","90","","91.63","0.03","90","","2433.3","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H24 Fe N6 O2 -","- C28 H24 Fe N6 O2 -","- C112 H96 Fe4 N24 O8 -","4","1","","Zhang, Li; Xu, Guan-Cheng; Xu, Hong-Bin; Mereacre, Valeriu; Wang, Zhe-Ming; Powell, Annie K.; Gao, Song","Synthesis, magnetic and photomagnetic study of new iron(ii) spin-crossover complexes with N4O2 coordination sphere","Dalton Transactions","2010","39","20","4856","","10.1039/b925482j","","","0.71073","MoKα","","0.1389","0.1066","","","0.2487","0.2654","","","","","","1","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7025383","14.551","0.003","12.549","0.003","9.4577","0.0019","90","","109.5","0.03","90","","1627.9","0.7","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","[Mn(ox)(btz)2]n","catena-[(μ~2~-oxalato)-bis(benzotriazole)-manganese(II)]","","- C14 H10 Mn N6 O4 -","- C14 H10 Mn N6 O4 -","- C56 H40 Mn4 N24 O16 -","4","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Bonin, Michel; Hursthouse, Michael B.; Price, Daniel J.; Decurtins, Silvio","Heterocyclic amine directed synthesis of metal(II)-oxalates: investigating the magnetic properties of two complete series of chains with S = 5/2 to S = 1/2.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4937","4950","10.1039/b927522c","","","0.71073","MoKα","","0.0679","0.0482","","","0.109","0.1154","","","","","","0.919","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025384","14.436","0.005","12.353","0.003","9.245","0.004","90","","109.25","0.03","90","","1556.5","1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","Co(ox)(btz)2","catena-[(μ~2~-oxalato)-bis(benzotriazole)-cobalt(II)]","","- C14 H10 Co N6 O4 -","- C14 H10 Co N6 O4 -","- C56 H40 Co4 N24 O16 -","4","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Bonin, Michel; Hursthouse, Michael B.; Price, Daniel J.; Decurtins, Silvio","Heterocyclic amine directed synthesis of metal(II)-oxalates: investigating the magnetic properties of two complete series of chains with S = 5/2 to S = 1/2.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4937","4950","10.1039/b927522c","","","0.71073","MoKα","","0.0656","0.0466","","","0.1037","0.1167","","","","","","0.933","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025385","14.2379","0.0002","12.2801","0.0001","9.383","0.0001","90","","108.721","0.001","90","","1553.75","0.03","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","[Cu(ox)(btz)2]n","catena-[(μ~2~-oxalato)-bis(benzotriazole)-manganese(II)]","","- C14 H10 Cu N6 O4 -","- C14 H10 Cu N6 O4 -","- C56 H40 Cu4 N24 O16 -","4","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Bonin, Michel; Hursthouse, Michael B.; Price, Daniel J.; Decurtins, Silvio","Heterocyclic amine directed synthesis of metal(II)-oxalates: investigating the magnetic properties of two complete series of chains with S = 5/2 to S = 1/2.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4937","4950","10.1039/b927522c","","","0.71073","MoKα","","0.0428","0.0359","","","0.0861","0.089","","","","","","1.177","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025386","14.372","0.0014","12.3909","0.0016","9.2272","0.0009","90","","108.751","0.007","90","","1556","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","Zn(ox)(btz)2","catena-[(μ~2~-oxalato)-bis(benzotriazole)-zinc(II)]","","- C14 H10 N6 O4 Zn -","- C14 H10 N6 O4 Zn -","- C56 H40 N24 O16 Zn4 -","4","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Bonin, Michel; Hursthouse, Michael B.; Price, Daniel J.; Decurtins, Silvio","Heterocyclic amine directed synthesis of metal(II)-oxalates: investigating the magnetic properties of two complete series of chains with S = 5/2 to S = 1/2.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4937","4950","10.1039/b927522c","","","0.71073","MoKα","","0.0475","0.0331","","","0.077","0.0914","","","","","","1.043","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025389","19.666","0.0015","18.6742","0.0014","36.386","0.003","90","","99.483","0.001","90","","13180","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H72 Na16 O116 Pd30 Se21 -","- Na16 O116 Pd30 Se21 -","- Na64 O464 Pd120 Se84 -","4","1","","Delferro, Massimiliano; Graiff, Claudia; Elviri, Lisa; Predieri, Giovanni","Self-assembly of polyoxoselenitopalladate nanostars [Pd~15~(μ~3~-SeO~3~)~10~(μ~3~-O)~10~Na]^9-^ and their supramolecular pairing in the solid state","Dalton Transactions","2010","39","19","4479","4481","10.1039/b927537a","","","0.71073","MoKα","","0.0262","0.0214","","","0.0375","0.0379","","","","","","0.798","","","","has coordinates","218737","2020-10-21","18:00:00",""
"7025657","13.057","0.003","16.189","0.003","25.081","0.005","90","","96.507","0.002","90","","5267.5","1.9","203","2","203","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C64 H73 N4 Sm -","- C64 H73 N4 Sm -","- C256 H292 N16 Sm4 -","4","1","","Ilango, Sougandi; Vidjayacoumar, Balamurugan; Gambarotta, Sandro","Samarium complexes of a sigma-/pi-pyrrolide/arene based macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6853","6857","10.1039/c002514n","","","0.71073","MoKα","","0.0359","0.0311","","","0.0712","0.0731","","","","","","1.039","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025762","17.0643","0.0006","16.9722","0.0007","18.6143","0.0007","90","","103.054","0.001","90","","5251.7","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H26 N2 O -","- C11 H26 N2 O -","- C176 H416 N32 O16 -","16","4","","Hollingsworth, Nathan; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Sudlow, Anna L.","The synthesis and reaction chemistry of new amino-functionalised tin(II) alkoxides.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5446","5452","10.1039/c003178j","","","0.71073","MoKα","","0.0636","0.0486","","","0.1114","0.1202","","","","","","1.038","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025776","10.456","0.004","17.143","0.007","15.597","0.006","90","","104.5","0.003","90","","2706.7","1.8","125.1","","125.1","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H26 I2 O2 P2 Pt -","- C26 H26 I2 O2 P2 Pt -","- C104 H104 I8 O8 P8 Pt4 -","4","1","","Waddell, Paul G.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Correlating Pt-P bond lengths and Pt-P coupling constants.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8620","8625","10.1039/c003256e","","","0.7107","MoKα","","","0.0267","","","","0.0467","","","","","","0.807","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025841","11.9474","0.0008","31.263","0.003","10.6055","0.0005","90","","93.51","0.004","90","","3953.8","0.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H51 Cl N2 Ni -","- C37 H51 Cl N2 Ni -","- C148 H204 Cl4 N8 Ni4 -","4","1","","Ritleng, Vincent; Oertel, Anna Magdalena; Chetcuti, Michael J.","Half-sandwich NHC-nickel(II) complexes as pre-catalysts for the fast Suzuki coupling of aryl halides: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8153","8160","10.1039/c0dt00021c","","","0.71073","MoKα","","0.0873","0.0597","","","0.1377","0.1499","","","","","","0.965","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025881","6.117","0.003","19.103","0.002","15.751","0.004","90","","91.22","0.03","90","","1840.1","1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","4,4',4''-phosphorothioyltris(methylene)trimorpholine","","- C15 H30 N3 O3 P S -","- C15 H30 N3 O3 P S -","- C60 H120 N12 O12 P4 S4 -","4","1","","Starosta, Radosław; Bazanów, Barbara; Barszczewski, Wojciech","Chalcogenides of the aminomethylphosphines derived from 1-methylpiperazine, 1-ethylpiperazine and morpholine: NMR, DFT and structural studies for determination of electronic and steric properties of the phosphines.","Dalton transactions (Cambridge, England : 2003)","2010","39","32","7547","7555","10.1039/c0dt00037j","","","0.71073","MoKα","","0.0429","0.0329","","","0.071","0.0747","","","","","","1.006","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7026040","12.8303","0.0011","15.7867","0.0013","14.1339","0.0017","90","","111.057","0.001","90","","2671.6","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","jontt06","","","- C24 H31 B D6 N6 P Rh -","- C24 H36 B D N6 P Rh -","- C96 H144 B4 D4 N24 P4 Rh4 -","4","1","","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","","0.0311","0.0272","","","0.0571","0.0592","","","","","","1.013","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026116","13.092","0.012","20.322","0.012","21.77","0.02","90","","107.458","0.017","90","","5525","8","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C29 H22 B F4 Fe O5 P -","- C29 H22 B F4 Fe O5 P -","- C232 H176 B8 F32 Fe8 O40 P8 -","8","2","","Hewison, Lindsay; Crook, Sian H.; Johnson, Tony R.; Mann, Brian E.; Adams, Harry; Plant, Sarah E.; Sawle, Philip; Motterlini, Roberto","Iron indenyl carbonyl compounds: CO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8967","8975","10.1039/c0dt00203h","","","0.71073","MoKα","","0.105","0.0683","","","0.16","0.1794","","","","","","0.976","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026221","26.957","0.007","15.707","0.004","16.66","0.004","90","","96.742","0.008","90","","7005","3","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C76 H100 Au2 N4 O3 -","- C76 H100 Au2 N4 O3 -","- C304 H400 Au8 N16 O12 -","4","1","","Fortman, George C.; Poater, Albert; Levell, Jack W.; Gaillard, Sylvain; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cavallo, Luigi; Nolan, Steven P.","A versatile gold synthon for acetylene C-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2010","39","43","10382","10390","10.1039/c0dt00276c","","","0.71073","MoKα","","0.0471","0.0457","","","0.1165","0.118","","","","","","1.044","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026224","9.823","0.002","14.604","0.002","21.114","0.003","90","","101.882","0.004","90","","2964","0.8","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C37 H40 N2 -","- C37 H40 N2 -","- C148 H160 N8 -","4","1","","Vasudevan, Kalyan V.; Butorac, Rachel R.; Abernethy, Colin D.; Cowley, Alan H.","Synthesis and coordination compounds of a bis(imino)acenaphthene (BIAN)-supported N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7401","7408","10.1039/c0dt00278j","","","0.71069","MoKα","","0.0752","0.0707","","","0.1819","0.185","","","","","","1.098","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026251","12.6393","0.0013","12.5032","0.0013","19.57","0.002","90","","96.254","0.005","90","","3074.3","0.5","375","2","375","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate","","- C30 H22 B2 Co F8 N6 -","- C30 H22 B2 Co F8 N6 -","- C120 H88 B8 Co4 F32 N24 -","4","1","","Kilner, Colin A.; Halcrow, Malcolm A.","An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9008","9012","10.1039/c0dt00295j","","","0.71073","MoKα","","0.0583","0.046","","","0.1242","0.1345","","","","","","1.014","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026252","12.6512","0.001","12.5056","0.001","19.5416","0.0015","90","","96.416","0.004","90","","3072.3","0.4","350","2","350","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate","","- C30 H22 B2 Co F8 N6 -","- C30 H22 B2 Co F8 N6 -","- C120 H88 B8 Co4 F32 N24 -","4","1","","Kilner, Colin A.; Halcrow, Malcolm A.","An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9008","9012","10.1039/c0dt00295j","","","0.71073","MoKα","","0.05","0.0417","","","0.1145","0.1208","","","","","","1.021","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026253","12.6234","0.0012","12.4686","0.0012","19.5075","0.0019","90","","96.558","0.005","90","","3050.3","0.5","325","2","325","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate","","- C30 H22 B2 Co F8 N6 -","- C30 H22 B2 Co F8 N6 -","- C120 H88 B8 Co4 F32 N24 -","4","1","","Kilner, Colin A.; Halcrow, Malcolm A.","An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9008","9012","10.1039/c0dt00295j","","","0.71073","MoKα","","0.0501","0.0436","","","0.1223","0.1284","","","","","","1.034","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026254","12.6392","0.0011","12.4722","0.0011","19.4609","0.0019","90","","96.711","0.004","90","","3046.8","0.5","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate","","- C30 H22 B2 Co F8 N6 -","- C30 H22 B2 Co F8 N6 -","- C120 H88 B8 Co4 F32 N24 -","4","1","","Kilner, Colin A.; Halcrow, Malcolm A.","An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9008","9012","10.1039/c0dt00295j","","","0.71073","MoKα","","0.0517","0.0479","","","0.1368","0.1396","","","","","","1.034","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026255","12.593","0.0012","12.4003","0.0012","19.36","0.0018","90","","97.109","0.005","90","","3000","0.5","250","2","250","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate","","- C30 H22 B2 Co F8 N6 -","- C30 H22 B2 Co F8 N6 -","- C120 H88 B8 Co4 F32 N24 -","4","1","","Kilner, Colin A.; Halcrow, Malcolm A.","An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9008","9012","10.1039/c0dt00295j","","","0.71073","MoKα","","0.0428","0.0398","","","0.1109","0.1137","","","","","","1.028","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026256","12.5995","0.001","12.3791","0.001","19.2204","0.0015","90","","97.552","0.004","90","","2971.8","0.4","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate","","- C30 H22 B2 Co F8 N6 -","- C30 H22 B2 Co F8 N6 -","- C120 H88 B8 Co4 F32 N24 -","4","1","","Kilner, Colin A.; Halcrow, Malcolm A.","An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9008","9012","10.1039/c0dt00295j","","","0.71073","MoKα","","0.036","0.0344","","","0.0931","0.0944","","","","","","1.053","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026257","12.6087","0.0009","12.3683","0.0009","19.0895","0.0013","90","","97.888","0.003","90","","2948.8","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate","","- C30 H22 B2 Co F8 N6 -","- C30 H22 B2 Co F8 N6 -","- C120 H88 B8 Co4 F32 N24 -","4","1","","Kilner, Colin A.; Halcrow, Malcolm A.","An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9008","9012","10.1039/c0dt00295j","","","0.71073","MoKα","","0.0305","0.0294","","","0.0768","0.0775","","","","","","1.035","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026258","12.6088","0.0011","12.3489","0.0011","18.9484","0.0018","90","","97.937","0.004","90","","2922.1","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate","","- C30 H22 B2 Co F8 N6 -","- C30 H22 B2 Co F8 N6 -","- C120 H88 B8 Co4 F32 N24 -","4","1","","Kilner, Colin A.; Halcrow, Malcolm A.","An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9008","9012","10.1039/c0dt00295j","","","0.71073","MoKα","","0.0367","0.0352","","","0.0938","0.0946","","","","","","1.074","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026259","12.58","0.003","12.365","0.003","18.801","0.004","90","","97.988","0.007","90","","2896.2","1.2","30","2","30","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate","","- C30 H22 B2 Co F8 N6 -","- C30 H22 B2 Co F8 N6 -","- C120 H88 B8 Co4 F32 N24 -","4","1","","Kilner, Colin A.; Halcrow, Malcolm A.","An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9008","9012","10.1039/c0dt00295j","","","0.71073","MoKα","","0.0385","0.0337","","","0.0692","0.0717","","","","","","1.017","","","","has coordinates,has disorder","179968","2020-10-21","18:00:00",""
"7026440","12.617","0.001","13.823","0.0011","16.56","0.0014","90","","112.033","0.004","90","","2677.2","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H33 Al N O P -","- C30 H33 Al N O P -","- C120 H132 Al4 N4 O4 P4 -","4","1","","Liang, Lan-Chang; Chen, Feng-Yi; Huang, Mei-Hui; Cheng, Liang-Chien; Li, Chun-Wei; Lee, Hon Man","Aluminium complexes of bidentate N,O- and N,N-ligands derived from oxidative functionalization of amido phosphines: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9941","9951","10.1039/c0dt00418a","","x-ray","0.71073","MoKα","","0.0992","0.0718","","","0.1613","0.1783","","","","","","1.039","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026447","16.583","0.003","12.6047","0.0015","13.4967","0.0006","90","","105.85","0.008","90","","2713.9","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 N4 O13 P2 Pd2 -","- C20 H28 N4 O13 P2 Pd2 -","- C80 H112 N16 O52 P8 Pd8 -","4","1","","Gao, Jie; Riis-Johannessen, Thomas; Scopelliti, Rosario; Qian, Xuhong; Severin, Kay","A fluorescent sensor for pyrophosphate based on a Pd(II) complex.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7114","7118","10.1039/c0dt00434k","","","0.71073","MoKα","","0.0164","0.016","","","0.0368","0.037","","","","","","1.08","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026780","10.9492","0.0012","11.6596","0.0013","15.2396","0.0018","90","","90.114","0.005","90","","1945.5","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H24 N2 O10 Pb S2 -","- C12 H24 N2 O10 Pb S2 -","- C48 H96 N8 O40 Pb4 S8 -","4","1","","Park, In-Hyeok; Park, Ki-Min; Lee, Shim Sung","Preparation and characterisation of divalent hard and soft metal (M = Ca, Co, Cu, Zn, Cd, Hg and Pb) complexes of 1,10-dithia-18-crown-6: structural versatility.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9696","9704","10.1039/c0dt00696c","","","0.71073","MoKα","","0.0406","0.0392","","","0.0995","0.1008","","","","","","1.054","","","","has coordinates,has disorder","179973","2020-10-21","18:00:00",""
"7026902","14.6549","0.0009","14.8054","0.0008","28.178","0.002","90","","95.782","0.005","90","","6082.7","0.7","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H80 Cu4 N8 O8 P4 S8 -","- C36 H80 Cu4 N8 O8 P4 S8 -","- C144 H320 Cu16 N32 O32 P16 S32 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Pape, Tania; Hahn, F. Ekkehardt; Verizhnikov, Maxim L.; Bashirov, Airat R.; Klein, Axel","Polynuclear and mixed-ligand mononuclear Cu(I) complexes with N-thiophosphorylated thioureas and 1,10-phenanthroline or PPh3.","Dalton transactions (Cambridge, England : 2003)","2010","39","48","11577","11586","10.1039/c0dt00866d","","","0.71073","MoKα","","0.0608","0.0523","","","0.1309","0.1348","","","","","","1.049","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027151","22.074","0.004","11.955","0.002","21.039","0.004","90","","115.2","0.02","90","","5023.7","1.8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C12 H42 Br13 Cu13 N6 O2 S6 -","- C12 H42 Br13 Cu12.946 N6 O1.58 S6 -","- C48 H168 Br52 Cu51.784 N24 O6.32 S24 -","4","1","","Prichard, Robin G.; Parish, R. V.; Salehi, Zahra","Self-assembling copper(I) clusters involving electron-deficient, quadruply bridging thiolate ligands","Journal of the Chemical Society, Dalton Transactions","1999","","2","243","","10.1039/a808125e","","","0.71069","MoKα","","0.1082","0.0867","","","0.1908","0.1965","","","","","","2.276","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027390","18.8181","0.0006","10.8572","0.0003","29.2564","0.001","90","","96.791","0.001","90","","5935.5","0.3","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H46 F6 P3 Rh -","- C26 H46 F6 P3 Rh -","- C208 H368 F48 P24 Rh8 -","8","2","","Wolf, Justin; Manger, Matthias; Schmidt, Ulrich; Fries, Guido; Barth, Dietmar; Weberndörfer, Birgit; Vicic, David A.; Jones, William D.; Werner, Helmut","A new synthetic route to ligands of the general composition R2PCH2ER′2 (E = P, As) and some rhodium complexes derived thereof","Journal of the Chemical Society, Dalton Transactions","1999","","11","1867","","10.1039/a902139f","","","0.71073","MoKα","","0.0673","0.0537","","0.1142","0.106","","","","1.139","1.162","1.162","","","","","has coordinates","179979","2020-10-21","18:00:00",""
"7027399","18.08","0.02","11.581","0.017","23.65","0.03","90","","112.475","0.01","90","","4576","10","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H35 I2 Mo O7 P2 -","- C46 H38 I2 Mo O7 P2 -","- C184 H152 I8 Mo4 O28 P8 -","4","1","","Baker, Paul K.; Drew, Michael G. B.; Evans, Deborah S.; Johans, Archie W.; Meehan, Margaret M.","Synthesis, molecular structures, fluxional properties and catalytic activity of a series of alkyne complexes of molybdenum(II) and tungsten(II) containing phosphite donor ligands","Journal of the Chemical Society, Dalton Transactions","1999","","15","2541","","10.1039/a902224d","","","0.71073","MoKα","","0.1771","0.0814","","","0.2125","0.2693","","","","","","0.949","","","","has coordinates","179979","2020-10-21","18:00:00",""
"7027401","11.133","0.012","40.22","0.05","19.49","0.02","90","","93.806","0.01","90","","8708","17","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H36 I2 O7 P2 W -","- C17 H36 I2 O7 P2 W -","- C204 H432 I24 O84 P24 W12 -","12","3","","Baker, Paul K.; Drew, Michael G. B.; Evans, Deborah S.; Johans, Archie W.; Meehan, Margaret M.","Synthesis, molecular structures, fluxional properties and catalytic activity of a series of alkyne complexes of molybdenum(II) and tungsten(II) containing phosphite donor ligands","Journal of the Chemical Society, Dalton Transactions","1999","","15","2541","","10.1039/a902224d","","","0.71073","MoKα","","0.1602","0.108","","","0.3344","0.3847","","","","","","1.3","","","","has coordinates,has disorder","179980","2020-10-21","18:00:00",""
"7027447","11.104","0.002","10.193","0.002","24.365","0.005","90","","99.34","0.03","90","","2721.1","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H28 N8 O12 Pd -","- C20 H18 N8 O12 Pd -","- C80 H72 N32 O48 Pd4 -","4","1","","Coşar, Sultan; Janik, Matthias B. L.; Flock, Matthias; Freisinger, Eva; Farkas, Etelka; Lippert, Bernhard","Mono- and di-nuclear complexes of (trpy)MII (M = Pd, Pt) with the model nucleobase 1-methylcytosine. Crystal structure and NMR solution studies","Journal of the Chemical Society, Dalton Transactions","1999","","14","2329","","10.1039/a902862e","","","0.71069","MoKα","","0.0585","0.0366","","0.0705","0.0641","","","","0.912","0.998","0.998","","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027449","11.061","0.002","9.993","0.002","24.211","0.005","90","","98.7","0.03","90","","2645.3","0.9","126","2","126","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H28 N8 O12 Pt -","- C20 H20 N8 O12 Pt -","- C80 H80 N32 O48 Pt4 -","4","1","","Coşar, Sultan; Janik, Matthias B. L.; Flock, Matthias; Freisinger, Eva; Farkas, Etelka; Lippert, Bernhard","Mono- and di-nuclear complexes of (trpy)MII (M = Pd, Pt) with the model nucleobase 1-methylcytosine. Crystal structure and NMR solution studies","Journal of the Chemical Society, Dalton Transactions","1999","","14","2329","","10.1039/a902862e","","","0.71069","MoKα","","0.0252","0.0238","","0.0592","0.0579","","","","1.042","1.057","1.057","","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027499","12.996","0.002","11.174","0.001","7.679","0.001","90","","96.29","0.01","90","","1108.4","0.2","158","2","158","2","","","","","","","","5","C 1 c 1","C -2yc","9","","tris(dimethylamino)phosphane-borane","","- C6 H21 B N3 P -","- C6 H21 B N3 P -","- C24 H84 B4 N12 P4 -","4","1","","Mitzel, Norbert W.; Lustig, Christian","The molecular and crystal structures of the tris(dimethylamino)phosphoranes (Me2N)3P‒X (X = BH3, CH2, NH or O)","Journal of the Chemical Society, Dalton Transactions","1999","","18","3177","","10.1039/a903292d","","","0.71073","MoKα","","0.0219","0.0207","","0.0556","0.0543","","","","1.083","1.088","1.088","","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027562","16.219","0.005","9.486","0.002","13.656","0.004","90","","99.67","0.02","90","","2071.2","1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H36 K N3 Si3 -","- C13 H36 K N3 Si3 -","- C52 H144 K4 N12 Si12 -","4","1","","Al-Juaid, Salih S.; Eaborn, Colin; El-Hamruni, Salima; Farook, Adam; Hitchcock, Peter B.; Hopman, Martijn; Smith, J. David; Clegg, William; Izod, Keith; O’Shaughnessy, Paul","Tris(triorganosilyl)methyl derivatives of potassium and lithium bearing dimethylamino or methoxy substituents at silicon. Crystal structures of KC(SiMe3)2(SiMe2NMe2), KC(SiMe2NMe2)3 and [LiC(SiMe3)(SiMe2OMe)2]2","Journal of the Chemical Society, Dalton Transactions","1999","","18","3267","","10.1039/a904043i","","","0.71073","MoKα","","0.0427","0.0398","","0.1316","0.1182","","","","1.196","1.198","1.198","","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027687","22.4593","0.0007","9.4978","0.0003","21.4978","0.0006","90","","113.094","0.0014","90","","4218.3","0.2","180","2","180","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H45 Cl7 N2 P2 Si2 Ti -","- C34 H45 Cl7 N2 P2 Si2 Ti -","- C136 H180 Cl28 N8 P8 Si8 Ti4 -","4","1","","Sarsfield, Mark J.; Thornton-Pett, Mark; Bochmann, Manfred","Facile formation of a titanium‒carbon bond from TiCl4 by HCl elimination: the synthesis and structure of TiCl3[Me3SiNP(Ph)2CHCH2P(Ph)2NSiMe3] †","Journal of the Chemical Society, Dalton Transactions","1999","","19","3329","","10.1039/a905574f","","","0.71073","MoKα","","0.0505","0.0476","","","0.1176","0.1201","","","","","","1.041","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7028200","16.9566","0.0001","9.4777","0.0001","15.6185","0.0001","90","","108.341","0.001","90","","2382.53","0.04","223","2","223","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C25 H33 P -","- C25 H33 P -","- C100 H132 P4 -","4","1","","Möbus, Juri; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Borata-alkene derivatives conveniently made by frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","632","638","10.1039/c3dt52373j","","","1.54178","CuKα","","0.0759","0.0576","","","0.1289","0.1424","","","","","","1.035","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028302","26.284","0.0003","9.477","0.0002","32.319","0.0004","90","","110.277","0.001","90","","7551.6","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C41.5 H42 N2 Si2 Zn2 -","- C41.5 H42 N2 Si2 Zn2 -","- C332 H336 N16 Si16 Zn16 -","8","2","","Cosham, Samuel D.; Hill, Michael S.; Johnson, Andrew L.; Molloy, Kieran C.","New organo- and amidozinc derivatives of primary amines.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","859","864","10.1039/c3dt52602j","","","0.71073","MoKα","","0.0731","0.0489","","","0.1097","0.1294","","","","","","1.014","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028313","13.907","0.002","17.381","0.003","13.59","0.004","90","","111.907","0.002","90","","3047.7","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H33 N13 Ni2 O3 -","- C26 H33 N13 Ni2 O3 -","- C104 H132 N52 Ni8 O12 -","4","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.0319","0.0295","","","0.0682","0.0692","","","","","","1.018","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028409","29.871","0.005","13.004","0.002","20.9","0.003","90","","122.557","0.002","90","","6842.7","1.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C77 H65 Mo N2 O11 P7 -","- C77 H65 Mo N2 O11 P7 -","- C308 H260 Mo4 N8 O44 P28 -","4","1","","Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.","Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1509","1518","10.1039/c3dt52526k","","","0.71073","MoKα","","0.0237","0.0225","","","0.0588","0.0598","","","","","","1.041","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028471","20.3176","0.0012","30.5474","0.0016","17.684","0.001","90","","122.067","0.002","90","","9301","0.9","193","2","193","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C90 H138 Au3 P3 Si3 -","- C90 H138 Au3 P3 Si3 -","- C360 H552 Au12 P12 Si12 -","4","1","","Kocsor, T.-G.; Nemes, G.; Saffon, N.; Mallet-Ladeira, S; Madec, D.; Castel, A.; Escudié, J","N-heterocyclic carbene stabilized phosphaalkenyl(chloro)stannylene.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2718","2721","10.1039/c3dt53333f","","x-ray","0.71073","MoKα","","0.0484","0.0352","","","0.0723","0.0764","","","","","","0.999","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028727","15.7245","0.0012","14.0954","0.0011","13.5539","0.001","90","","98.885","0.007","90","","2968.1","0.4","293","2","293","0.2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H26 Br2 N2 O2 P Re -","- C31 H26 Br2 N2 O2 P Re -","- C124 H104 Br8 N8 O8 P4 Re4 -","4","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0499","0.0433","","","0.093","0.0987","","","","","","1.021","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028730","15.5583","0.0007","14.0916","0.0008","13.5172","0.0007","90","","97.838","0.004","90","","2935.8","0.3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H26 Cl2 N2 O2 P Re -","- C31 H26 Cl2 N2 O2 P Re -","- C124 H104 Cl8 N8 O8 P4 Re4 -","4","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0332","0.0288","","","0.0911","0.0955","","","","","","1.164","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028744","17.228","0.003","8.8924","0.0013","12.8756","0.0019","90","","129.374","0.002","90","","1524.8","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H20 Cl2 N2 O2 Sn -","- C6 H20 Cl2 N2 O2 Sn -","- C24 H80 Cl8 N8 O8 Sn4 -","4","1","","Khan, Rais Ahmad; Yadav, Shipra; Hussain, Zahid; Arjmand, Farukh; Tabassum, Sartaj","Carbohydrate linked organotin(iv) complexes as human topoisomerase Iα inhibitor and their antiproliferative effects against the human carcinoma cell line.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2534","2548","10.1039/c3dt51973b","","","0.71073","MoKα","","0.0476","0.0459","","","0.1458","0.1508","","","","","","1.136","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028763","8.6238","0.0007","12.2506","0.0011","15.504","0.0013","90","","90.781","0.001","90","","1637.8","0.2","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 H12 Bi Br3 N6 S3 -","- C3 H12 Bi Br3 N6 S3 -","- C12 H48 Bi4 Br12 N24 S12 -","4","1","","Li, Ming; Li, R. K.","Two new bismuth thiourea bromides: crystal structure, growth, and characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2577","2580","10.1039/c3dt52953c","","","0.71073","MoKα","","0.0335","0.0295","","","0.0797","0.0812","","","","","","1.053","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028765","15.055","0.003","19.328","0.004","12.632","0.002","90","","104.687","0.002","90","","3555.6","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H30 Ag3 N9 -","- C42 H30 Ag3 N9 -","- C168 H120 Ag12 N36 -","4","1","","Hu, Xiao-Hui; Liang, Yan; Li, Chen; Yi, Xiao-Yi","Multi-nuclear silver(i) and copper(i) complexes: a novel bonding mode for bispyridylpyrrolides.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2458","2464","10.1039/c3dt52794h","","","0.71073","MoKα","","0.0644","0.0506","","","0.1118","0.1212","","","","","","0.975","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028868","17.4036","0.0007","9.2806","0.0003","16.0476","0.0006","90","","121.179","0.001","90","","2217.55","0.14","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H30 N2 P2 -","- C23 H30 N2 P2 -","- C92 H120 N8 P8 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.0425","0.0338","","","0.0762","0.0805","","","","","","1.058","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028939","27.17","0.0017","10.866","0.0007","18.7723","0.0012","90","","105.4","0.001","90","","5343.1","0.6","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H90 Li2 N2 O5 -","- C56 H90 Li2 N2 O5 -","- C224 H360 Li8 N8 O20 -","4","1","","Robinson, Sarah; Davies, E. Stephen; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Alkali metal derivatives of an ortho-phenylene diamine.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4351","4360","10.1039/c3dt52632a","","","0.71073","MoKα","","0.0453","0.0411","","","0.103","0.107","","","","","","1.02","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7029057","13.2925","0.0011","13.66","0.0007","9.5631","0.0009","90","","126.84","0.013","90","","1389.7","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H15 N9 O Zn -","- C8 H15 N9 O Zn -","- C32 H60 N36 O4 Zn4 -","4","1","","Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian","Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3210","3214","10.1039/c3dt53269k","","","0.71073","MoKα","","0.0545","0.0528","","","0.146","0.1482","","","","","","1.053","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029058","12.989","0.002","13.8218","0.0009","9.2766","0.0012","90","","124.43","0.02","90","","1373.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H15 N9 O Zn -","- C9 H15 N9 O Zn -","- C36 H60 N36 O4 Zn4 -","4","1","","Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian","Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3210","3214","10.1039/c3dt53269k","","","0.71073","MoKα","","0.0658","0.042","","","0.0835","0.096","","","","","","0.817","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029298","11.8346","0.0015","32.995","0.005","9.2931","0.0011","90","","123.079","0.017","90","","3040.6","0.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H42 B10 N2 Si -","- C27 H42 B10 N2 Si -","- C108 H168 B40 N8 Si4 -","4","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","1.54184","CuKα","","0.0276","0.0275","","","0.0734","0.0735","","","","","","1.021","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029337","25.247","0.003","13.783","0.0014","23.808","0.002","90","","95.776","0.002","90","","8242.6","1.5","187","2","187","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H39 Ag7 N24 O65 P2 W18 -","- C24 H32 Ag7 N24 O63 P2 W18 -","- C96 H128 Ag28 N96 O252 P8 W72 -","4","1","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","Three 3D silver-bis(triazole) metal-organic frameworks stabilized by high-connected Wells-Dawson polyoxometallates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5211","5220","10.1039/c3dt53437e","","","0.71069","MoKα","","0.0781","0.0763","","","0.2505","0.2524","","","","","","1.103","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029573","28.504","0.006","10.357","0.002","12.46","0.003","90","","90.05","0.03","90","","3678.4","1.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C48 H46 N4 -","- C48 H46 N4 -","- C192 H184 N16 -","4","1","","Xing, Qifeng; Song, Kuifeng; Liang, Tongling; Liu, Qingbin; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene polymerization behaviour of binuclear nickel halides bearing 4,5,9,10-tetra(arylimino)pyrenylidenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7830","7837","10.1039/c4dt00503a","","","0.71073","MoKα","","","0.066","","","0.1802","0.1855","","","","","","1.071","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029774","14.8008","0.001","16.102","0.001","21.0282","0.0014","90","","106.033","0.005","90","","4816.6","0.6","123","","123","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H37 Cr F18 N9 P3 -","- C43 H37 Cr F18 N9 P3 -","- C172 H148 Cr4 F72 N36 P12 -","4","1","","Constable, Edwin C; Housecroft, Catherine E; Neuburger, Markus; Schönle, Jonas; Zampese, Jennifer A","The surprising lability of bis(2,2':6',2''-terpyridine)chromium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7227","7235","10.1039/c4dt00200h","","","0.71073","MoKα","","0.0509","0.0384","","0.0621","0.0389","0.035","","","","","","1.0984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029931","18.2026","0.001","12.9296","0.0007","15.5215","0.0008","90","","98.656","0.001","90","","3611.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H47 B10 I N2 -","- C29 H47 B10 I N2 -","- C116 H188 B40 I4 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.066","0.0522","","","0.1574","0.2","","","","","","0.974","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7030029","22.038","0.002","14.0363","0.0013","25.925","0.003","90","","112.384","0.002","90","","7415.2","1.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H64 F24 N18 P4 Ru2 -","- C62 H64 F24 N18 P4 Ru2 -","- C248 H256 F96 N72 P16 Ru8 -","4","1","","Pal, Amlan K.; Hanan, Garry S.","Stereoselective formation of a meso-diruthenium(ii,ii) complex and tuning the properties of its monoruthenium analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6567","6577","10.1039/c4dt00112e","","","1.54178","CuKα","","0.0384","0.0382","","","0.1008","0.1011","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030102","15.4126","0.0016","13.5156","0.0016","15.8239","0.0017","90","","93.866","0.003","90","","3288.8","0.6","291","2","291","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H33 Cl2 I2 N3 O3 Zn2 -","- C27 H33 Cl2 I2 N3 O3 Zn2 -","- C108 H132 Cl8 I8 N12 O12 Zn8 -","4","1","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.066","0.0585","","","0.1485","0.1526","","","","","","0.995","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030278","12.991","0.004","13.134","0.004","11.714","0.004","90","","100.919","0.007","90","","1962.5","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","bis(2,2'-bipyridine-N,N')tetrafluorozirconium(IV)","","- C20 H16 F4 N4 Zr -","- C20 H16 F4 N4 Zr -","- C80 H64 F16 N16 Zr4 -","4","1","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.042","0.0384","","","0.0951","0.0983","","","","","","1.065","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030315","22.5237","0.0003","12.7743","0.0002","16.6305","0.0002","90","","102.661","0.001","90","","4668.65","0.11","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42.5 H58.5 Cl5.5 N4 -","- C42.5 H58.5 Cl5.5 N4 -","- C170 H234 Cl22 N16 -","4","1","","Conde-Guadano, Susana; Hanton, Martin; Tooze, Robert P.; Danopoulos, Andreas A.; Braunstein, Pierre","Amidine- and amidinate-functionalised N-heterocyclic carbene complexes of silver and chromium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12558","12567","10.1039/c2dt31619f","","","0.71073","MoKα","","0.0615","0.0546","","","0.1387","0.1439","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030361","27.1458","0.0006","12.4837","0.0003","18.895","0.0005","90","","102.193","0.002","90","","6258.7","0.3","173","2","173","2","","","","","","","synthesis as described","8","C 1 c 1","C -2yc","9","","","","- C61 H60 F3 O5 P5 Ru S Si -","- C61 H60 F3 O5 P5 Ru S Si -","- C244 H240 F12 O20 P20 Ru4 S4 Si4 -","4","1","","Trathen, Nicola; Leech, Matthew C.; Crossley, Ian R.; Greenacre, Victoria K.; Roe, S. Mark","Synthesis and electronic structure of the first cyaphide-alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9004","9007","10.1039/c4dt01108b","","x-ray","0.71073","MoKα","","0.101","0.077","","","0.1913","0.203","","","","","","1.096","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030363","22.6782","0.0006","13.3919","0.0003","16.9067","0.0004","90","","102.139","0.001","90","","5019.8","0.2","173","2","173","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C57 H53 Cl3 O2 P4 Ru -","- C57 H53 Cl3 O2 P4 Ru -","- C228 H212 Cl12 O8 P16 Ru4 -","4","1","","Trathen, Nicola; Leech, Matthew C.; Crossley, Ian R.; Greenacre, Victoria K.; Roe, S. Mark","Synthesis and electronic structure of the first cyaphide-alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9004","9007","10.1039/c4dt01108b","","x-ray","0.71073","MoKα","","0.0887","0.053","","","0.1037","0.1184","","","","","","1.006","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030392","12.705","0.0006","13.7069","0.0007","14.7809","0.0007","90","","91.387","0.004","90","","2573.3","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H32 B2 N2 P2 -","- C26 H32 B2 N2 P2 -","- C104 H128 B8 N8 P8 -","4","1","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0491","0.0456","","","0.1259","0.1307","","","","","","1.082","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030425","15.3013","0.0002","20.5209","0.0003","22.6575","0.0004","90","","105.363","0.001","90","","6860.15","0.18","180","2","180","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C65 H72 Cl2 Cu Gd N9 O21 -","- C65 H72 Cl2 Cu Gd N9 O21 -","- C260 H288 Cl8 Cu4 Gd4 N36 O84 -","4","1","","Georgopoulou, Anastasia N.; Adam, Rosa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Ballesteros, Rafael; Abarca, Belén; Boudalis, Athanassios K.","Isomorphous replacement of MII ions in MII‒GdIII dimers (MII = CuII, MnII, NiII, CoII, ZnII): magnetic studies of the products","Dalton Transactions","2010","39","20","5020","","10.1039/b925525g","","","1.54178","CuKα","","0.0435","0.0405","","","0.0899","0.0924","","","","","","1.032","","","","has coordinates,has disorder","180010","2020-10-21","18:00:00",""
"7030426","15.2166","0.0002","20.4545","0.0003","22.7423","0.0004","90","","105.032","0.001","90","","6836.28","0.18","160","2","160","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C65 H72 Cl2 Gd N9 Ni O21 -","- C65 H72 Cl2 Gd N9 Ni O21 -","- C260 H288 Cl8 Gd4 N36 Ni4 O84 -","4","1","","Georgopoulou, Anastasia N.; Adam, Rosa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Ballesteros, Rafael; Abarca, Belén; Boudalis, Athanassios K.","Isomorphous replacement of MII ions in MII‒GdIII dimers (MII = CuII, MnII, NiII, CoII, ZnII): magnetic studies of the products","Dalton Transactions","2010","39","20","5020","","10.1039/b925525g","","","1.54178","CuKα","","0.0808","0.069","","","0.1454","0.1607","","","","","","1.01","","","","has coordinates,has disorder","180010","2020-10-21","18:00:00",""
"7030427","15.338","0.002","20.491","0.002","23.225","0.003","90","","106.096","0.007","90","","7013.3","1.5","180","2","180","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C65 H72 Cl2 Gd Mn N9 O21 -","- C65 H72 Cl2 Gd Mn N9 O21 -","- C260 H288 Cl8 Gd4 Mn4 N36 O84 -","4","1","","Georgopoulou, Anastasia N.; Adam, Rosa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Ballesteros, Rafael; Abarca, Belén; Boudalis, Athanassios K.","Isomorphous replacement of MII ions in MII‒GdIII dimers (MII = CuII, MnII, NiII, CoII, ZnII): magnetic studies of the products","Dalton Transactions","2010","39","20","5020","","10.1039/b925525g","","","1.54178","CuKα","","0.0497","0.0459","","","0.1085","0.1132","","","","","","1.044","","","","has coordinates,has disorder","180010","2020-10-21","18:00:00",""
"7030439","24.602","0.004","19.992","0.003","18.972","0.003","90","","130.42","","90","","7104","1.9","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C70 H67 N O30 Zn4 -","- C70 H67 N O30 Zn4 -","- C280 H268 N4 O120 Zn16 -","4","1","","Liang, Li-Li; Ren, Shi-Bin; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Two unprecedented NLO-active coordination polymers constructed by a semi-rigid tetrahedral linker.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7723","7726","10.1039/c0dt00255k","","","0.71073","MoKα","","0.072","0.0582","","","0.1385","0.1429","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030756","19.9069","0.0009","11.4558","0.0004","16.9951","0.0009","90","","115.311","0.006","90","","3503.7","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H51 B6 Co4 O2 -","- C32 H51 B6 Co4 O2 -","- C128 H204 B24 Co16 O8 -","4","1","","Sharmila, Dudekula; Ramalakshmi, Rongala; Chakrahari, Kiran Kumarvarma; Varghese, Babu; Ghosh, Sundargopal","Synthesis, characterization and crystal structure analysis of cobaltaborane and cobaltaheteroborane clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9976","9985","10.1039/c4dt00964a","","","0.71073","MoKα","","0.05","0.048","","","0.1467","0.1487","","","","","","1.168","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030793","11.8454","0.0008","18.642","0.0013","16.1698","0.0014","90","","103.264","0.003","90","","3475.4","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H48 N4 Ni Si -","- C36 H48 N4 Ni Si -","- C144 H192 N16 Ni4 Si4 -","4","1","","Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo","Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10816","10827","10.1039/c4dt01250j","","","0.71073","MoKα","","0.0377","0.0313","","","0.0622","0.0644","","","","","","0.996","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030820","19.801","0.006","14.731","0.004","12.752","0.004","90","","112.535","0.005","90","","3435.6","1.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H47 K O7 Si -","- C34 H47 K O7 Si -","- C136 H188 K4 O28 Si4 -","4","1","","Leich, Valeri; Lamberts, Kevin; Spaniol, Thomas P.; Okuda, Jun","Crown ether adducts of light alkali metal triphenylsilyls: synthesis, structure and hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14315","14321","10.1039/c4dt00916a","","","0.71073","MoKα","","0.0803","0.0715","","","0.1862","0.1944","","","","","","1.08","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030877","17.041","0.005","9.384","0.003","14.979","0.005","90","","120.935","0.003","90","","2054.6","1.1","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C104 H88 N16 -","4","1","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","","0.0376","","","","0.0911","","","","","","1.101","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7031083","12.4475","0.0006","29.3169","0.0014","6.9933","0.0003","90","","113.764","0.001","90","","2335.63","0.19","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H28 N O6 V -","- C25 H28 N O6 V -","- C100 H112 N4 O24 V4 -","4","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.0408","0.0347","","","0.0804","0.0845","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7031090","18.3822","0.0011","55.376","0.003","15.8726","0.001","90","","94.286","0.001","90","","16112.1","1.6","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C114 H70 Ag24 F54 N24 O48 -","- C114 H70 Ag24 F54 N24 O48 -","- C456 H280 Ag96 F216 N96 O192 -","4","1","","Zhao, Xiao-Li; Mak, Thomas C. W.","Silver cages with encapsulated acetylenediide as building blocks for hydrothermal synthesis of supramolecular complexes with n-cyanopyridine and pyridine-n-carboxamide (n=3, 4).","Dalton transactions (Cambridge, England : 2003)","2004","","20","3212","3217","10.1039/B406711H","","","0.71073","MoKα","","0.0354","0.0327","","","0.0731","0.0752","","","","","","1.048","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031182","20.923","0.003","10.3501","0.0014","17.962","0.003","90","","111.211","0.003","90","","3626.2","0.9","294","2","294","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C38 H33 B F4 Mo O3 P2 Ru -","- C38 H33 B F4 Mo O3 P2 Ru -","- C152 H132 B4 F16 Mo4 O12 P8 Ru4 -","4","1","","Man, Man Lok; Zhou, Zhongyuan; Ng, Siu Man; Lau, Chak Po","Synthesis, characterization and reactivity of heterobimetallic complexes (?5-C5R5)Ru(CO)(�-dppm)M(CO)2(?5-C5H5) (R = H, CH3; M = Mo, W). Interconversion of hydrogen/carbon dioxide and formic acid by these complexesElectronic supplementary information (ESI) available: Selected bond lengths and angles and ORTEP diagrams for complexes 2?4 and 6�Cl and discussion on the structure of 6�Cl. See http://www.rsc.org/suppdata/dt/b3/b306835h/","Dalton Transactions","2003","","19","3727","","10.1039/b306835h","","","0.71073","MoKα","","0.041","0.0353","","","0.0849","0.0878","","","","","","1.061","","","","has coordinates,has disorder","180017","2020-10-21","18:00:00",""
"7031485","23.791","0.003","18.3258","0.0018","15.0315","0.0014","90","","102.654","0.011","90","","6394.4","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H66 Al Cl N8 O12 -","- C68 H66 Al Cl N8 O12 -","- C272 H264 Al4 Cl4 N32 O48 -","4","1","","Fu, Yan; Jiang, Xiu-Juan; Zhu, Yan-Yan; Zhou, Bing-Jiang; Zang, Shuang-Quan; Tang, Ming-Sheng; Zhang, Hong-Yan; Mak, Thomas C. W.","A new fluorescent probe for Al(3+) based on rhodamine 6G and its application to bioimaging.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12624","12632","10.1039/c4dt01453g","","","0.71073","MoKα","","0.2029","0.0907","","","0.166","0.225","","","","","","1.016","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031611","9.0429","0.0003","22.3081","0.0005","7.1341","0.0003","90","","116.72","0.003","90","","1285.48","0.08","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H9 Cl2 Cu N3 S -","- C12 H9 Cl2 Cu N3 S -","- C48 H36 Cl8 Cu4 N12 S4 -","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","","0.0357","0.032","","","0.0657","0.0685","","","","","","1.056","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031670","21.754","0.001","21.836","0.001","10.39","0.001","90","","93.913","0.001","90","","4924","0.6","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H40 Ce Cu N9 O15 P2 -","- C45 H40 Ce Cu N9 O15 P2 -","- C180 H160 Ce4 Cu4 N36 O60 P8 -","4","1","","Cheisson, Thibault; Auffrant, Audrey","Versatile coordination chemistry of a bis(methyliminophosphoranyl)pyridine ligand on copper centres.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13399","13409","10.1039/c4dt01794c","","","0.71069","MoKα","","0.088","0.0837","","","0.2137","0.218","","","","","","1.161","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031708","19.1767","0.0005","11.3151","0.0004","23.0147","0.0007","90","","98.482","0.002","90","","4939.3","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H44 Mo8 N12 O28 -","- C24 H44 Mo8 N12 O28 -","- C96 H176 Mo32 N48 O112 -","4","1","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez, Eleuterio; Mealli, Carlo; Manca, Gabriele; Galindo, Agustín","Experimental and theoretical insights into the oxodiperoxomolybdenum-catalysed sulphide oxidation using hydrogen peroxide in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13711","13730","10.1039/c4dt01733a","","","0.71073","MoKα","","0.0179","0.0173","","","0.0451","0.0453","","","","","","1.078","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7032177","24.9529","0.0009","7.9877","0.0003","16.5411","0.0006","90","","112.111","0.002","90","","3054.4","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H17 Cl2 Co N S2 -","- C11 H17 Cl2 Co N S2 -","- C88 H136 Cl16 Co8 N8 S16 -","8","2","","Soobramoney, Lynette; Bala, Muhammad D.; Friedrich, Holger B.","Coordination chemistry of Co complexes containing tridentate SNS ligands and their application as catalysts for the oxidation of n-octane.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15968","15978","10.1039/c4dt01750a","","","0.71073","MoKα","","0.085","0.0552","","","0.1268","0.1756","","","","","","1.039","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032553","9.991","0.003","15.962","0.005","17.013","0.005","90","","99.83","0.012","90","","2673.3","1.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H36 B Cl2 N2 P -","- C28 H36 B Cl2 N2 P -","- C112 H144 B4 Cl8 N8 P4 -","4","1","","Prashanth, Billa; Singh, Sanjay","A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16880","16888","10.1039/c4dt02637c","","","0.71073","MoKα","","0.0602","0.0385","","","0.097","0.1011","","","","","","1.115","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032555","10.053","0.003","16.487","0.003","17.083","0.005","90","","102.03","0.02","90","","2769.2","1.3","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H36 Cl2 Ga N2 P -","- C28 H36 Cl2 Ga N2 P -","- C112 H144 Cl8 Ga4 N8 P4 -","4","1","","Prashanth, Billa; Singh, Sanjay","A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16880","16888","10.1039/c4dt02637c","","","0.71073","MoKα","","0.0606","0.0434","","","0.071","0.0761","","","","","","0.926","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032588","38.289","0.008","34.676","0.007","18.386","0.004","90","","99.36","0.03","90","","24086","9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H39 Cl2 Fe N3 -","- C32 H39 Cl2 Fe N3 -","- C1024 H1248 Cl64 Fe32 N96 -","32","8","","Huang, Fang; Xing, Qifeng; Liang, Tongling; Flisak, Zygmunt; Ye, Bin; Hu, Xinquan; Yang, Wenhong; Sun, Wen-Hua","2-(1-Aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridyl iron(ii) dichloride: synthesis, characterization, and the highly active and tunable active species in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16818","16829","10.1039/c4dt02102a","","","0.71073","MoKα","","","0.0977","","","0.215","0.2499","","","","","","1.092","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032700","10.9999","0.0005","21.1507","0.0011","12.5158","0.0005","90","","112.964","0.001","90","","2681.1","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H20 F6 N4 O2 Zn -","- C28 H20 F6 N4 O2 Zn -","- C112 H80 F24 N16 O8 Zn4 -","4","1","","Gerling, Kimberly A.; Rezayee, Nomaan M.; Rheingold, Arnold L.; Green, David B.; Fritsch, Joseph M.","Synthesis and structures of bis-ligated zinc complexes supported by tridentate ketoimines that initiate l-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16498","16508","10.1039/c4dt01607f","","","0.71073","MoKα","","0.0299","0.0273","","","0.0623","0.0635","","","","","","1.071","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7033106","8.5902","0.0003","16.4831","0.0006","25.1988","0.0011","90","","95.684","0.002","90","","3550.4","0.2","140","","140","","","","","","","","","6","C 1 c 1","C -2yc","9","","NiLBr","","- C16 H23 Br Ni O3 S2 -","- C16 H23 Br Ni O3 S2 -","- C128 H184 Br8 Ni8 O24 S16 -","8","2","","Peterson, Sonja M.; Helm, Monte L.; Appel, Aaron M.","Nickel complexes of a binucleating ligand derived from an SCS pincer.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","747","752","10.1039/c4dt02718c","","","0.71073","MoKα","","0.0426","0.03","","","0.0459","0.0486","","","","","","0.959","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033126","30.413","0.002","17.3135","0.0012","19.958","0.0014","90","","113.39","0.001","90","","9645.4","1.1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H48 B2 Co N8 -","- C28 H48 B2 Co N8 -","- C336 H576 B24 Co12 N96 -","12","3","","Liu, Yuan-Zhong; Wang, Jing; Zhao, Yue; Chen, Lei; Chen, Xue-Tai; Xue, Zi-Ling","Four-coordinate Co(II) and Fe(II) complexes with bis(N-heterocyclic carbene)borate and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","908","911","10.1039/c4dt02537g","","","0.71073","MoKα","","0.103","0.0582","","","0.1257","0.147","","","","","","1.016","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033128","30.159","0.004","17.138","0.002","19.392","0.003","90","","112.3","0.002","90","","9273","2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H48 B2 Fe N8 -","- C28 H48 B2 Fe N8 -","- C336 H576 B24 Fe12 N96 -","12","3","","Liu, Yuan-Zhong; Wang, Jing; Zhao, Yue; Chen, Lei; Chen, Xue-Tai; Xue, Zi-Ling","Four-coordinate Co(II) and Fe(II) complexes with bis(N-heterocyclic carbene)borate and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","908","911","10.1039/c4dt02537g","","","0.71073","MoKα","","0.0377","0.0339","","","0.0846","0.0867","","","","","","1.005","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7033131","21.383","0.005","18.94","0.005","9.587","0.002","90","","94.379","0.008","90","","3871.3","1.6","298","2","298.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H38 N10 O13 Zn2 -","- C36 H38 N10 O13 Zn2 -","- C144 H152 N40 O52 Zn8 -","4","1","","Duan, Li-Na; Dang, Qin-Qin; Han, Cai-Yun; Zhang, Xian-Ming","An interpenetrated bioactive nonlinear optical MOF containing a coordinated quinolone-like drug and Zn(II) for pH-responsive release.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1800","1804","10.1039/c4dt02672a","","","0.71073","MoKα","","0.0634","0.0475","","","0.1081","0.1121","","","","","","0.97","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033382","13.0413","0.0002","32.2971","0.0004","14.8434","0.0002","90","","107.988","0.002","90","","5946.39","0.16","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H76 Cu2 N4 O18 S2 -","- C56 H76 Cu2 N4 O18 S2 -","- C224 H304 Cu8 N16 O72 S8 -","4","1","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.0488","0.0417","","","0.1051","0.1095","","","","","","1.039","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033389","22.037","0.008","5.2564","0.0017","15.142","0.005","90","","104.499","0.007","90","","1698.1","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bismuch tellurium iodate oxychloride","","- Bi2 Cl I O8 Te -","- Bi2 Cl I O8 Te -","- Bi16 Cl8 I8 O64 Te8 -","8","2","","Geng, Lei; Meng, Changyu; Lu, Hongyan; Luo, Zhongzhen; Lin, Chensheng; Cheng, Wendan","Bi2Te(IO3)O5Cl: a novel polar iodate oxychloride exhibiting a second-order nonlinear optical response.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2469","2475","10.1039/c4dt03532a","","","0.71073","MoKα","","0.0379","0.0342","","","0.07","0.0713","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033438","16.0318","0.0004","16.1365","0.0005","17.5547","0.0006","90","","103.771","0.002","90","","4410.8","0.2","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H16 Cl4 F4 Mn4 O12 S4 -","- C37 H16 Cl4 F4 Mn4 O12 S4 -","- C148 H64 Cl16 F16 Mn16 O48 S16 -","4","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0312","0.0292","","","0.0635","0.0652","","","","","","1.085","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033664","10.8044","0.0005","23.2995","0.0014","22.234","0.0011","90","","100.681","0.004","90","","5500.1","0.5","150","2","150.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H51 N13 O37 Sr2 V10 -","- C19 H51 N13 O37 Sr2 V10 -","- C76 H204 N52 O148 Sr8 V40 -","4","1","","Schwarz, Benjamin; Streb, Carsten","Architectural control of urea in supramolecular 1D strontium vanadium oxide chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4195","4199","10.1039/c4dt03691c","","x-ray","0.71073","MoKα","","0.0229","0.0198","","","0.0458","0.0467","","","","","","1.054","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033784","17.517","0.004","16.564","0.003","21.725","0.004","90","","107.24","0.03","90","","6020","2","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H90 Mo6 N4 O19 -","- C45 H90 Mo6 N4 O19 -","- C180 H360 Mo24 N16 O76 -","4","1","","Khan, Rao Naumaan Nasim; Lv, Chunlin; Zhang, Jin; Hao, Jian; Wei, Yongge","N-alkylation of organo-imido substituted polyoxometalates: an efficient and stoichiometric approach for the easy post-modification of polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4568","4575","10.1039/c4dt03637a","","","0.71073","MoKα","","0.0479","0.0404","","","0.082","0.0867","","","","","","1.011","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7034009","8.481","0.0005","21.8202","0.0012","8.5851","0.0003","90","","104.74","0.004","90","","1536.45","0.14","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H13 Hg N O S2 -","- C15 H13 Hg N O S2 -","- C60 H52 Hg4 N4 O4 S8 -","4","1","","Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai","Influence of the ligand frameworks on the coordination environment and properties of new phenylmercury(ii) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5909","5916","10.1039/c4dt03816a","","","0.71073","MoKα","","0.0703","0.0553","","","0.1435","0.1568","","","","","","1.073","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034137","9.5559","0.0007","12.9988","0.001","12.8588","0.0009","90","","111.61","0.001","90","","1484.99","0.19","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H21 B9 S3 -","- C6 H21 B9 S3 -","- C24 H84 B36 S12 -","4","1","","Timofeev, Sergey V.; Zhidkova, Olga B.; Mosolova, Elena M.; Sivaev, Igor B.; Godovikov, Ivan A.; Suponitsky, Kyrill Yu; Starikova, Zoya A.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with charge-compensated nido-carboranyl thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6449","6456","10.1039/c5dt00176e","","","0.71073","MoKα","","0.0396","0.0325","","","0.0681","0.0705","","","","","","0.952","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034223","17.503","0.001","11.651","0.001","19.801","0.002","90","","92.935","0.007","90","","4032.7","0.6","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H52 Cl6 Nb2 O12 Sn2 -","- C20 H52 Cl6 Nb2 O12 Sn2 -","- C80 H208 Cl24 Nb8 O48 Sn8 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.71069","MoKα","","0.0564","0.0439","","0.1107","0.1042","0.1107","","","","","","0.962","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034271","24.905","0.005","15.045","0.003","15.151","0.003","90","","127.405","0.003","90","","4509.6","1.6","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C52 H43 B Cu F4 N3 O P2 -","- C52 H43 B Cu F4 N3 O P2 -","- C208 H172 B4 Cu4 F16 N12 O4 P8 -","4","1","","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","","","0.71073","MoKα","","0.04","0.0379","","","0.1045","0.1061","","","","","","0.949","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034272","24.814","0.009","15.188","0.005","15.388","0.006","90","","128.114","0.006","90","","4563","3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C52 H43 B Cu F4 N3 O P2 -","- C52 H43 B Cu F4 N3 O P2 -","- C208 H172 B4 Cu4 F16 N12 O4 P8 -","4","1","","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","","","0.71073","MoKα","","0.0493","0.0453","","","0.1244","0.1296","","","","","","0.93","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034311","5.7835","0.0004","30.636","0.003","9.2241","0.0008","90","","96.405","0.006","90","","1624.2","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-nitrophenyl)-N'-ferrocenemethyl-urea","","- C18 H17 Fe N3 O3 -","- C18 H17 Fe N3 O3 -","- C72 H68 Fe4 N12 O12 -","4","1","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0419","0.0374","","","0.0783","0.0811","","","","","","1.067","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034390","24.1133","0.001","10.8799","0.0004","16.1215","0.0007","90","","116.995","0.002","90","","3768.7","0.3","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H10 B F26 P -","- C42 H10 B F26 P -","- C168 H40 B4 F104 P4 -","4","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.0444","0.0361","","","0.0863","0.0908","","","","","","1.03","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034391","23.5578","0.0009","11.298","0.0004","15.6731","0.0005","90","","115.718","0.002","90","","3758.3","0.2","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H12 B F24 P -","- C42 H12 B F24 P -","- C168 H48 B4 F96 P4 -","4","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.0238","0.0222","","","0.0545","0.0555","","","","","","1.03","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034394","25.3349","0.0009","11.1331","0.0004","18.031","0.0011","90","","132.675","0.001","90","","3739.1","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H15 B F21 P -","- C42 H15 B F21 P -","- C168 H60 B4 F84 P4 -","4","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.0735","0.0398","","","0.0628","0.0716","","","","","","0.998","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034462","18.9473","0.0008","13.9306","0.0006","28.662","0.002","90","","96.968","0.007","90","","7509.4","0.7","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","[{t-BuC6H4)3CCONH}2C6H3COOH]-3(AcOEt)","","- C83 H108 N2 O10 -","- C83 H108 N2 O10 -","- C332 H432 N8 O40 -","4","1","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7512","7523","10.1039/c5dt00053j","","","0.71075","MoKα","","0.0891","0.077","","","0.2036","0.2156","","","","","","1.029","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034492","12.5087","0.0011","32.165","0.002","7.6022","0.0005","90","","98.833","0.007","90","","3022.4","0.4","156","5","156","5","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H25 Cd2 Cl2 Dy N6 O16 -","- C20 H25 Cd2 Cl2 Dy N6 O16 -","- C80 H100 Cd8 Cl8 Dy4 N24 O64 -","4","1","","Zhang, Xue-Jing; Liu, Ke; Bing, Yan-Min; Xu, Na; Shi, Wei; Cheng, Peng","An unusual three-dimensional Dy-Cd2 framework exhibiting single-ion magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7757","7760","10.1039/c5dt00721f","","","0.71073","MoKα","","0.0235","0.0231","","","0.0606","0.061","","","","","","1.087","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034493","12.5247","0.0005","32.2184","0.0016","7.6101","0.0005","90","","98.856","0.004","90","","3034.3","0.3","130.65","0.1","130.65","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H25 Cd2 Cl2 N6 O16 Tb -","- C20 H25 Cd2 Cl2 N6 O16 Tb -","- C80 H100 Cd8 Cl8 N24 O64 Tb4 -","4","1","","Zhang, Xue-Jing; Liu, Ke; Bing, Yan-Min; Xu, Na; Shi, Wei; Cheng, Peng","An unusual three-dimensional Dy-Cd2 framework exhibiting single-ion magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7757","7760","10.1039/c5dt00721f","","","0.71073","MoKα","","0.0336","0.0321","","","0.0673","0.0683","","","","","","1.027","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034509","14.915","0.004","15.272","0.003","18.323","0.004","90","","94.955","0.007","90","","4158","1.7","123","","123","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H28 F12 O10.5 Ru2 -","- C38 H25 F12 O10.5 Ru2 -","- C152 H100 F48 O42 Ru8 -","4","1","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0686","","","","0.188","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034534","19.446","0.005","14.257","0.003","15.252","0.004","90","","116.37","0.002","90","","3788.5","1.6","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H38 Cl2 N5 O12.5 Zn -","- C36 H37 Cl2 N5 O12.5 Zn -","- C144 H148 Cl8 N20 O50 Zn4 -","4","1","","Mikata, Yuji; Nodomi, Yuki; Ohnishi, Risa; Kizu, Asako; Konno, Hideo","Tris(8-methoxy-2-quinolylmethyl)amine (8-MeOTQA) as a highly fluorescent Zn(2+) probe prepared by convenient C3-symmetric tripodal amine synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8021","8030","10.1039/c5dt00514k","","","0.71075","MoKα","","0.0428","0.0396","","","0.098","0.1017","","","","","","1.082","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034632","9.4007","0.0007","22.7653","0.0011","7.1881","0.0005","90","","90.244","0.006","90","","1538.31","0.17","99.98","0.14","99.98","0.14","","","","","","","","5","C 1 c 1","C -2yc","9","","2c","","- C12 H19 I N4 O2 -","- C12 H19 I N4 O2 -","- C48 H76 I4 N16 O8 -","4","1","","Mohamed, Heba A.; Lake, Benjamin R. M.; Laing, Thomas; Phillips, Roger M.; Willans, Charlotte E.","Synthesis and anticancer activity of silver(i)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7563","7569","10.1039/c4dt03679d","","","0.71073","MoKα","","0.0593","0.0564","","","0.1407","0.1439","","","","","","1.085","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034682","13.3069","0.001","25.629","0.002","9.856","0.0008","90","","91.455","0.008","90","","3360.2","0.5","133.2","0.5","133.2","0.5","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 Cl3 Cu4 N6 O6 -","- C18 H12 Cl3 Cu4 N6 O6 -","- C72 H48 Cl12 Cu16 N24 O24 -","4","1","","Chen, Di-Ming; Ma, Jian-Gong; Cheng, Peng","Solvent-induced secondary building unit (SBU) variations in a series of Cu(ii) metal-organic frameworks derived from a bifunctional ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8926","8931","10.1039/c5dt00994d","","","0.71073","MoKα","","0.0353","0.033","","","0.0874","0.0891","","","","","","1.034","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034783","24.111","0.005","11.35","0.002","21.18","0.004","90","","91.02","0.03","90","","5795.2","1.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H43 I N2 Sn -","- C28 H43 I N2 Sn -","- C224 H344 I8 N16 Sn8 -","8","2","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0193","0.019","","","0.0442","0.0443","","","","","","1.203","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035018","15.1755","0.0011","22.2665","0.0017","8.1466","0.0006","90","","110.282","0.001","90","","2582.1","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 N4 O4 Zn -","- C30 H22 N4 O4 Zn -","- C120 H88 N16 O16 Zn4 -","4","1","","Shi, Gui-Mei; Zhang, Bin; Xu, Xin-Xin; Fu, Yan-Hong","Graphene oxide coated coordination polymer nanobelt composite material: a new type of visible light active and highly efficient photocatalyst for Cr(vi) reduction.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11155","11164","10.1039/c5dt01190f","","","0.71073","MoKα","","0.0694","0.0511","","","0.1101","0.122","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035083","8.1809","0.0016","22.356","0.005","17.634","0.004","90","","94.57","0.03","90","","3214.9","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H28 Co2 N16 -","- C28 H28 Co2 N16 -","- C112 H112 Co8 N64 -","4","1","","Zhao, Jiong-Peng; Zhao, Cui; Song, Wei-Chao; Wang, Lei; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He","4-Substituent pyridine directed cobalt(ii) azides: solvothermal synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10289","10296","10.1039/c5dt00568j","","","0.71075","MoKα","","0.0792","0.0545","","","0.09","0.0971","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035256","20.9597","0.001","5.8865","0.0003","21.8889","0.001","90","","104.264","0.005","90","","2617.4","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H30 N4 O2 Zn -","- C30 H30 N4 O2 Zn -","- C120 H120 N16 O8 Zn4 -","4","1","","Ghosh, Abhijit; Das, Debasis","X-ray structurally characterized sensors for ratiometric detection of Zn(2+) and Al(3+) in human breast cancer cells (MCF7): development of a binary logic gate as a molecular switch.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11797","11804","10.1039/c5dt01303h","","","0.71073","MoKα","","0.0702","0.042","","","0.0847","0.0949","","","","","","1.027","","","","has coordinates","143508","2020-10-21","18:00:00",""
"7035340","31.16","0.003","19.409","0.002","32.877","0.004","90","","103.566","0.002","90","","19329","4","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C200 H136 N20 O4 Zn4 -","- C200 H136 N20 O4 Zn4 -","- C800 H544 N80 O16 Zn16 -","4","1","","Fang, Xianshi; Han, Zhen; Xu, Chenglong; Li, Xiaohong; Wang, Yong; Hu, Chuanjiang","Discrimination between alkyl and aryl substituents of chiral monoamines by m-phthalic diamide-linked zinc bisporphyrinates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12511","12515","10.1039/c5dt01767j","","","0.71073","MoKα","","0.1207","0.094","","","0.226","0.2387","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035844","16.2881","0.0012","11.4383","0.0007","21.012","0.0015","90","","106.446","0.008","90","","3754.5","0.5","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H48 Fe I N P2 -","- C41 H48 Fe I N P2 -","- C164 H192 Fe4 I4 N4 P8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.0678","0.0666","","","0.1718","0.1746","","","","","","1.044","","","","has coordinates","288156","2023-12-07","18:40:59",""
"7036012","19.428","0.001","18.9619","0.0009","10.101","0.0005","90","","102.877","0.002","90","","3627.5","0.3","150","2","150","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C34 H30 Au N2 P S8 -","- C34 H30 Au N2 P S8 -","- C136 H120 Au4 N8 P4 S32 -","4","1","","Filatre-Furcate, Agathe; Auban-Senzier, Pascale; Fourmigué, Marc; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Gold dithiolene complexes: easy access to 2-alkylthio-thiazoledithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15683","15689","10.1039/c5dt02534f","","x-ray","0.71073","MoKα","","0.0829","0.0512","","","0.1102","0.1274","","","","","","1.069","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7036038","18.1642","0.0006","11.4249","0.0004","23.9813","0.0008","90","","99.487","0.002","90","","4908.6","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C62 H60 N2 P Sb -","- C62 H60 N2 P Sb -","- C248 H240 N8 P4 Sb4 -","4","1","","Hinz, Alexander; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Reduction of dichloro(diaza-phospha)stibanes - isolation of a donor-stabilized distibenium dication.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6044","6052","10.1039/c5dt02711j","","","0.71073","MoKα","","0.0531","0.0425","","","0.0956","0.1008","","","","","","1.048","","","","has coordinates,has disorder","181722","2020-10-21","18:00:00",""
"7036210","16.361","0.003","10.108","0.002","7.399","0.0015","90","","110.88","0.03","90","","1143.3","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H10 B F2 N3 -","- C13 H10 B F2 N3 -","- C52 H40 B4 F8 N12 -","4","1","","Umasekhar, Booruga; Ganapathi, Emandi; Chatterjee, Tamal; Ravikanth, Mangalampalli","Synthesis, structure, and spectral, electrochemical and fluoride sensing properties of meso-pyrrolyl boron dipyrromethene.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16516","16527","10.1039/c5dt02634b","","","0.71073","MoKα","","0.0568","0.0452","","","0.1192","0.1237","","","","","","0.911","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036240","19.588","0.006","6.6588","0.0019","13.866","0.004","90","","113.618","0.003","90","","1657.1","0.8","140","1","140","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H26 O Sn -","- C15 H26 O Sn -","- C60 H104 O4 Sn4 -","4","1","","Lichtscheidl, Alejandro G.; Janicke, Michael T.; Scott, Brian L.; Nelson, Andrew T.; Kiplinger, Jaqueline L.","Syntheses, structures, and (1)H, (13)C{(1)H} and (119)Sn{(1)H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16156","16163","10.1039/c5dt01980j","","","0.71073","MoKα","","0.0306","0.0286","","","0.07","0.0719","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036256","12.783","0.0012","67.748","0.007","17.4535","0.0018","90","","96.603","0.003","90","","15015","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H36 B F24 Na O4 Se2 -","- C44 H36 B F24 Na O4 Se2 -","- C528 H432 B12 F288 Na12 O48 Se24 -","12","3","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.0795","0.0646","","","0.1546","0.167","","","","","","0.984","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036372","18.443","0.01","17.78","0.011","8.017","0.005","90","","110.425","0.007","90","","2464","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H28 I2 N4 O Pd -","- C22 H28 I2 N4 O Pd -","- C88 H112 I8 N16 O4 Pd4 -","4","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","","0.71073","MoKα","","0.0566","0.0559","","","0.1481","0.149","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036654","19.7393","0.0003","13.1426","0.0002","16.1564","0.0002","90","","115.07","0.001","90","","3796.52","0.1","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H48 Cl4 Ga N3 P2 -","- C34 H48 Cl4 Ga N3 P2 -","- C136 H192 Cl16 Ga4 N12 P8 -","4","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0464","0.0371","","","0.0731","0.0764","","","","","","0.953","","","","has coordinates,has disorder","176070","2020-10-21","18:00:00",""
"7036716","16.954","0.01","9.058","0.005","35.25","0.02","90","","94.174","0.008","90","","5399","5","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H36 Cl Ge N2 P -","- C28 H36 Cl Ge N2 P -","- C224 H288 Cl8 Ge8 N16 P8 -","8","2","","Prashanth, Billa; Singh, Sanjay","Concise access to iminophosphonamide stabilized heteroleptic germylenes: chemical reactivity and structural investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6079","6087","10.1039/c5dt02287h","","","0.71073","MoKα","","0.042","0.0346","","","0.078","0.0811","","","","","","1.031","","","","has coordinates","181726","2020-10-21","18:00:00",""
"7037221","29.1358","0.0014","11.535","0.0006","15.4712","0.0007","90","","119.742","0.001","90","","4514.6","0.4","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H40 N2 O4 P2 W -","- C54 H40 N2 O4 P2 W -","- C216 H160 N8 O16 P8 W4 -","4","1","","Rigo, M.; Sklorz, J. A. W.; Hatje, N.; Noack, F.; Weber, M.; Wiecko, J.; Müller, C","2,4,6-Triphenylphosphinine and 2,4,6-triphenylposphabarrelene revisited: synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2218","2226","10.1039/c5dt03609g","","","0.71073","MoKα","","0.0332","0.0293","","","0.0666","0.0679","","","","","","1.017","","","","has coordinates","176071","2020-10-21","18:00:00",""
"7037572","12.0641","0.0004","19.327","0.0006","18.6758","0.0006","90","","108.733","0.0013","90","","4123.8","0.2","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Gd-EDTA","","- C10 H28 Gd N2 Na O16 -","- C10 H28 Gd N2 Na O16 -","- C80 H224 Gd8 N16 Na8 O128 -","8","2","","Holmberg, Rebecca J.; Ho, Le Tuan Anh; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Observation of unusual slow-relaxation of the magnetisation in a Gd-EDTA chelate.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20321","20325","10.1039/c5dt04072h","","","0.71073","MoKα","","0.0217","0.0216","","","0.0576","0.0577","","","","","","1.05","","","","has coordinates","170873","2020-10-21","18:00:00",""
"7037627","13.121","0.0003","21.365","0.0004","20.9552","0.0004","90","","101.63","0.002","90","","5753.8","0.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H55 Cl6 O P3 Ru S -","- C63 H55 Cl6 O P3 Ru S -","- C252 H220 Cl24 O4 P12 Ru4 S4 -","4","1","","Zhuo, Qingde; Chen, Zhiyong; Yang, Yuhui; Zhou, Xiaoxi; Han, Feifei; Zhu, Jun; Zhang, Hong; Xia, Haiping","Synthesis of aromatic ruthenabenzothiophenes via C-H activation of thiophenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","913","917","10.1039/c5dt04557f","","","0.71073","MoKα","","0.051","0.0387","","","0.0879","0.1153","","","","","","1.033","","","","has coordinates,has disorder","176059","2020-10-21","18:00:00",""
"7038002","17.137","0.003","24.199","0.005","23.303","0.005","90","","94.81","0.03","90","","9630","3","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H23 F20 N6 O17.5 Pd2 -","- C96 H23 F20 N6 O17.5 Pd2 -","- C384 H92 F80 N24 O70 Pd8 -","4","1","","Abebayehu, Abeje; Park, Dowoo; Hwang, Seonah; Dutta, Ranjan; Lee, Chang-Hee","Synthesis and spectroscopic behaviour of metal complexes of meso-alkylidenyl carbaporphyrinoids and their expanded analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3093","3101","10.1039/c5dt04566e","","","0.71073","MoKα","","0.121","0.0712","","","0.1728","0.2045","","","","","","0.984","","","","has coordinates,has disorder","177791","2020-10-21","18:00:00",""
"7038297","13.6122","0.0015","22.596","0.002","12.2925","0.0013","90","","118.963","0.001","90","","3308.1","0.6","150","1","150","1","","","","","","","see text","7","C 1 c 1","C -2yc","9","","","","- C34 H14 F12 Hg3 N2 Ni O2 -","- C34 H14 F12 Hg3 N2 Ni O2 -","- C136 H56 F48 Hg12 N8 Ni4 O8 -","4","1","","Tsunoda, Mitsukimi; Fleischmann, Martin; Jones, J. Stuart; Bhuvanesh, Nattamai; Scheer, Manfred; Gabbaï, François P","Supramolecular aggregation of Ni(salen) with (C6F5)2Hg and [o-C6F4Hg]3.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5045","5051","10.1039/c5dt01887k","","x-ray","0.71073","MoKα","","0.0287","0.0259","","","0.0512","0.0524","","","","","","0.918","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7038407","8.7851","0.0003","19.9807","0.0008","16.4334","0.0005","90","","93.982","0.001","90","","2877.63","0.17","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H41 N2 P Zr -","- C34 H41 N2 P Zr -","- C136 H164 N8 P4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Direct P-functionalization of azobenzene by a cationic phosphidozirconocene complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3711","3714","10.1039/c6dt00416d","","","0.71073","MoKα","","0.0241","0.0217","","","0.0474","0.0483","","","","","","1.042","","","","has coordinates,has disorder","177870","2020-10-21","18:00:00",""
"7038485","12.1974","0.0003","16.2449","0.0004","21.8846","0.0006","90","","98.39","0.002","90","","4289.93","0.19","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H76 N2 Si2 -","- C42 H76 N2 Si2 -","- C168 H304 N8 Si8 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0811","0.05","","","0.0978","0.1096","","","","","","1.014","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038664","21.827","0.0002","12.71458","0.00013","20.5184","0.00019","90","","93.3517","0.0008","90","","5684.55","0.09","100","0.2","100","0.2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C42 H89 Ce Cl I N3 O7 P6 -","- C42 H89 Ce Cl I N3 O7 P6 -","- C168 H356 Ce4 Cl4 I4 N12 O28 P24 -","4","1","","Au-Yeung, Ka-Chun; So, Yat-Ming; Wang, Guo-Cang; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iodosylbenzene and iodylbenzene adducts of cerium(iv) complexes bearing chelating oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5434","5438","10.1039/c6dt00267f","","x-ray","1.5418","CuKα","","0.022","0.0218","","","0.0543","0.0544","","","","","","1.001","","","","has coordinates","181635","2020-10-21","18:00:00",""
"7038670","27.6137","0.0017","9.458","0.0007","23.5911","0.0017","90","","98.582","0.007","90","","6092.3","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H92 Al2 N2 O6 Si4 -","- C56 H92 Al2 N2 O6 Si4 -","- C224 H368 Al8 N8 O24 Si16 -","4","1","","Wang, Xiaoping; Li, Jiancheng; Chen, Shimin; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Aryl(silyl)amino group stabilized hydridosilanediols: synthesis and characterization and use for preparation of alumino(hydrido)siloxanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6709","6717","10.1039/c6dt00059b","","","0.71073","MoKα","","0.1296","0.0873","","","0.1988","0.2265","","","","","","1.022","","","","has coordinates","182694","2020-10-21","18:00:00",""
"7038710","18.242","0.003","16.276","0.002","18.471","0.003","90","","115.779","0.004","90","","4938.4","1.3","173","","173","","","","","","","","","7","C 1 c 1","C -2yc","9","[Pd(Cl)(NCPh)(IPr)(ItBu)]BF4","chloro-benzonitrile-N,N?-bis-{2,6-(di-iso-propyl)phenyl}imidazol-2-ylidene-N,N?-(di-tert-butyl)imidazol-2-ylidene palladium (II) tetrafluoroborate","","- C46 H62 B Cl4 F4 N5 Pd -","- C46 H62 B Cl4 F4 N5 Pd -","- C184 H248 B4 Cl16 F16 N20 Pd4 -","4","1","","Santoro, Orlando; Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Homoleptic and heteroleptic bis-NHC Cu(i) complexes as carbene transfer reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4970","4973","10.1039/c6dt00595k","","","0.71075","MoKα","","0.0756","0.0532","","","0.1129","0.123","","","","","","1.022","","","","has coordinates","181668","2020-10-21","18:00:00",""
"7038795","23.628","0.005","14.886","0.003","28.196","0.006","90","","107.47","0.03","90","","9460","4","209","","209","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C106 H108 Li N5 O4 P5 Pt Y -","- C106 H108 Li N5 O4 P5 Pt Y -","- C424 H432 Li4 N20 O16 P20 Pt4 Y4 -","4","1","","Völcker, Franziska; Roesky, Peter W.","Bimetallic rare-earth/platinum complexes ligated by phosphinoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9429","9435","10.1039/c6dt00417b","","","0.71073","MoKα","","0.1064","0.0639","","","0.1085","0.1212","","","","","","0.864","","","","has coordinates,has disorder","185514","2020-10-21","18:00:00",""
"7038848","12.707","0.003","8.1157","0.0016","12.76","0.003","90","","108.7","0.03","90","","1246.4","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge In2 Na2 Se6 -","- Ge In2 Na2 Se6 -","- Ge4 In8 Na8 Se24 -","4","1","","Zhou, Molin; Li, Chao; Li, Xiaoshuang; Yao, Jiyong; Wu, Yicheng","K2Sn2ZnSe6, Na2Ge2ZnSe6, and Na2In2GeSe6: a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7627","7633","10.1039/c6dt00143b","","","0.71073","MoKα","","0.0323","0.028","","","0.0476","0.0488","","","","","","0.851","","","","has coordinates","182674","2020-10-21","18:00:00",""
"7039117","25.619","0.007","10.632","0.003","7.5173","0.0017","90","","99.056","0.005","90","","2022","0.9","113","","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H24 Cu N2 O4 -","- C23 H24 Cu N2 O4 -","- C92 H96 Cu4 N8 O16 -","4","1","","Lian, Wen-Jing; Wang, Xin-Tian; Xie, Cheng-Zhi; Tian, He; Song, Xue-Qing; Pan, He-Ting; Qiao, Xin; Xu, Jing-Yuan","Mixed-ligand copper(ii) Schiff base complexes: the role of the co-ligand in DNA binding, DNA cleavage, protein binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9073","9087","10.1039/c6dt00461j","","","0.71073","MoKα","","0.0185","0.0178","","","0.0528","0.053","","","","","","1.047","","","","has coordinates","185312","2020-10-21","18:00:00",""
"7039118","25.496","0.003","10.9096","0.0011","7.4583","0.0008","90","","101.245","0.002","90","","2034.7","0.4","386","2","386","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H23 Cu N2 O5 -","- C23 H23 Cu N2 O5 -","- C92 H92 Cu4 N8 O20 -","4","1","","Lian, Wen-Jing; Wang, Xin-Tian; Xie, Cheng-Zhi; Tian, He; Song, Xue-Qing; Pan, He-Ting; Qiao, Xin; Xu, Jing-Yuan","Mixed-ligand copper(ii) Schiff base complexes: the role of the co-ligand in DNA binding, DNA cleavage, protein binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9073","9087","10.1039/c6dt00461j","","","0.71073","MoKα","","0.0181","0.0176","","","0.0498","0.05","","","","","","0.971","","","","has coordinates","185312","2020-10-21","18:00:00",""
"7039248","10.2393","0.0008","9.872","0.0007","14.4784","0.0011","90","","98.46","0.001","90","","1447.59","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H8 N11 Nb O -","- C10 H8 N11 Nb O -","- C40 H32 N44 Nb4 O4 -","4","1","","Haiges, Ralf; Vasiliu, Monica; Dixon, David A.; Christe, Karl O.","The niobium oxoazides [NbO(N3)3], [NbO(N3)3·2CH3CN], [(bipy)NbO(N3)3], Cs2[NbO(N3)5] and [PPh4]2[NbO(N3)5].","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10523","10529","10.1039/c6dt01479h","","","0.71073","MoKα","","0.0264","0.0233","","","0.05","0.0518","","","","","","1.094","","","","has coordinates","185341","2020-10-21","18:00:00",""
"7039487","15.095","0.0006","14.0023","0.0006","12.335","0.0005","90","","108.689","0.001","90","","2469.71","0.18","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","czq2","Ru(C10H8N2)2Cl2(CF3SO3)","","- C23 H19 Cl2 F3 N5 O3 Ru S -","- C23 H19 Cl2 F3 N5 O3 Ru S -","- C92 H76 Cl8 F12 N20 O12 Ru4 S4 -","4","1","","Lv, Zhanao; Zheng, Wenrui; Chen, Zhuqi; Tang, Zhiming; Mo, Wanling; Yin, Guochuan","Synergistic oxygen atom transfer by ruthenium complexes with non-redox metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11369","11383","10.1039/c6dt01077f","","","0.71073","MoKα","","0.0231","0.0217","","","0.0539","0.0548","","","","","","1.031","","","","has coordinates","185502","2020-10-21","18:00:00",""
"7039521","26.1247","0.0009","14.7156","0.0004","21.3571","0.0007","90","","109.538","0.004","90","","7737.8","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H120 K N8 O6 P4 Sm -","- C64 H120 K N8 O6 P4 Sm -","- C256 H480 K4 N32 O24 P16 Sm4 -","4","1","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","1.54184","CuKα","","0.0738","0.0603","","","0.1433","0.1548","","","","","","1.072","","","","has coordinates","185408","2020-10-21","18:00:00",""
"7039705","24.303","0.003","11.8823","0.0017","20.158","0.003","90","","123.096","0.002","90","","4876.7","1.2","100","2","100","2","","","","","","","synthetical product","6","C 1 c 1","C -2yc","9","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","","- C49 H67 Mo N4 O3 P -","- C49 H67 Mo N4 O3 P -","- C196 H268 Mo4 N16 O12 P4 -","4","1","","Zwettler, Niklas; Judmaier, Martina E.; Strohmeier, Lara; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxygen activation and catalytic aerobic oxidation by Mo(iv)/(vi) complexes with functionalized iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14549","14560","10.1039/c6dt01692h","","","0.71073","MoKα","","0.0281","0.0257","","","0.0622","0.0635","","","","","","1.049","","","","has coordinates,has disorder","187142","2020-10-21","18:00:00",""
"7039726","14.726","0.007","10.43","0.005","17.323","0.008","90","","112.032","0.007","90","","2466","2","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H23 Cd Cl2 N3 O4 -","- C27 H23 Cd Cl2 N3 O4 -","- C108 H92 Cd4 Cl8 N12 O16 -","4","1","","Xu, Zheng; Li, Guoqiang; Ren, Yuan-Yuan; Huang, Hua; Wen, Xiaoping; Xu, Qiang; Fan, Xiaotian; Huang, Zhao; Huang, Junhai; Xu, Lin","A selective fluorescent probe for the detection of Cd(2+) in different buffer solutions and water.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12087","12093","10.1039/c6dt01398h","","","0.71073","MoKα","","0.0481","0.0368","","","0.0707","0.075","","","","","","1.017","","","","has coordinates","185325","2020-10-21","18:00:00",""
"7039892","14.819","0.002","25.424","0.003","29.317","0.005","90","","99.017","0.002","90","","10909","3","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H42 N6 O9 Ru -","- C31 H28 N6 O5 Ru -","- C372 H336 N72 O60 Ru12 -","12","3","","Lu, Zhongkai; Gao, Yan; Chen, Hong; Liu, Zhao; Chen, Lifang; Sun, Licheng","Efficient molecular ruthenium catalysts containing anionic ligands for water oxidation.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18459","18464","10.1039/c6dt02056a","","","0.71073","MoKα","","0.1035","0.0592","","","0.1316","0.1506","","","","","","0.93","","","","has coordinates","190107","2020-10-21","18:00:00",""
"7039894","14.7318","0.0002","16.6565","0.0002","8.3433","0.0001","90","","107.664","0.002","90","","1950.76","0.05","120","","120","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H26 Cl Ir N O3 P -","- C17 H26 Cl Ir N O3 P -","- C68 H104 Cl4 Ir4 N4 O12 P4 -","4","1","","Cross, Jasmine M.; Gallagher, Natalie; Gill, Jason H.; Jain, Mohit; McNeillis, Archibald W.; Rockley, Kimberly L.; Tscherny, Fiona H.; Wirszycz, Natasha J.; Yufit, Dmitry S.; Walton, James W.","Pyridylphosphinate metal complexes: synthesis, structural characterisation and biological activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12807","12813","10.1039/c6dt01264g","","x-ray","0.71073","MoKα","","0.0217","0.0202","","","0.0489","0.0497","","","","","","1.076","","","","has coordinates","186429","2020-10-21","18:00:00",""
"7040366","15.958","0.003","10.5272","0.0019","17.379","0.003","90","","105.505","0.002","90","","2813.3","0.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H43 Cu P2 -","- C30 H43 Cu P2 -","- C120 H172 Cu4 P8 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","x-ray","0.71073","MoKα","","0.0249","0.0235","","","0.0503","0.0509","","","","","","1","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040554","14.6233","0.0016","11.5742","0.0013","14.9934","0.0017","90","","97.278","0.001","90","","2517.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H25 Co Cr N2 O18 -","- C14 H25 Co Cr N2 O18 -","- C56 H100 Co4 Cr4 N8 O72 -","4","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71073","MoKα","","0.0274","0.0273","","","0.0714","0.0714","","","","","","1.114","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040555","14.632","0.005","11.548","0.005","15.017","0.005","90","","97.246","0.005","90","","2517.2","1.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H29 Cr N2 O18 Zn -","- C14 H25 Cr N2 O18 Zn -","- C56 H100 Cr4 N8 O72 Zn4 -","4","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71069","MoKα","","0.0378","0.0374","","","0.0986","0.0989","","","","","","1.018","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040749","25.923","0.005","6.9847","0.0014","7.2197","0.0014","90","","97.46","0.03","90","","1296.2","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H13 Co N S2 -","- C12 H13 Co N S2 -","- C48 H52 Co4 N4 S8 -","4","1","","Eichhöfer, Andreas; Buth, Gernot","Polymeric cobalt(ii) thiolato complexes - syntheses, structures and properties of [Co(SMes)2] and [Co(SPh)2NH3].","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17382","17391","10.1039/c6dt03098j","","","0.8","synchrotron","","0.0492","0.049","","","0.1306","0.1308","","","","","","1.051","","","","has coordinates","190197","2020-10-21","18:00:00",""
"7040982","10.625","0.002","19.234","0.004","24.652","0.005","90","","92.87","0.03","90","","5031.6","1.7","173.15","","173.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C58 H49 Br2 F5 N2 Ni O -","- C58 H49 Br2 F5 N2 Ni O -","- C232 H196 Br8 F20 N8 Ni4 O4 -","4","1","","Wang, Xinxin; Fan, Linlin; Yuan, Yichun; Du, Shizhen; Sun, Yang; Solan, Gregory A.; Guo, Cun-Yue; Sun, Wen-Hua","Raising the N-aryl fluoride content in unsymmetrical diaryliminoacenaphthylenes as a route to highly active nickel(ii) catalysts in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18313","18323","10.1039/c6dt03817d","","","0.71073","MoKα","","0.0579","0.0498","","","0.0946","0.0985","","","","","","1.135","","","","has coordinates","190150","2020-10-21","18:00:00",""
"7040983","10.775","0.002","18.237","0.004","26.975","0.005","90","","90.04","0.03","90","","5300.7","1.8","173.15","","173.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H37 Br2 F5 N2 Ni -","- C53 H37 Br2 F5 N2 Ni -","- C212 H148 Br8 F20 N8 Ni4 -","4","1","","Wang, Xinxin; Fan, Linlin; Yuan, Yichun; Du, Shizhen; Sun, Yang; Solan, Gregory A.; Guo, Cun-Yue; Sun, Wen-Hua","Raising the N-aryl fluoride content in unsymmetrical diaryliminoacenaphthylenes as a route to highly active nickel(ii) catalysts in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18313","18323","10.1039/c6dt03817d","","","0.71073","MoKα","","0.0915","0.0839","","","0.2177","0.2331","","","","","","1.045","","","","has coordinates","190150","2020-10-21","18:00:00",""
"7041262","9.445","0.004","25.327","0.009","16.19","0.006","90","","106.706","0.019","90","","3709","2","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","RuCl(py)3(Ph2PC6H4NCHCH(CH3)2)","","- C41 H44 Cl N4 O P Ru -","- C41 H44 Cl N4 O P Ru -","- C164 H176 Cl4 N16 O4 P4 Ru4 -","4","1","","Stubbs, J. M.; Firth, K. F.; Bridge, B. J.; Berger, K. J.; Hazlehurst, R. J.; Boyle, P. D.; Blacquiere, J. M.","Phosphine-imine and -enamido ligands for acceptorless dehydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","647","650","10.1039/c6dt04088h","","","0.71073","MoKα","","0.0782","0.0471","","","0.081","0.0906","","","","","","1.032","","","","has coordinates,has disorder","191644","2020-10-21","18:00:00",""
"7041349","17.105","0.0017","9.712","0.0007","11.522","0.001","90","","129.322","0.004","90","","1480.7","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H18 Ga N O2 -","- C15 H18 Ga N O2 -","- C60 H72 Ga4 N4 O8 -","4","1","","Justyniak, Iwona; Prochowicz, Daniel; Tulewicz, Adam; Bury, Wojciech; Goś, Piotr; Lewiński, Janusz","Structure investigations of group 13 organometallic carboxylates.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","669","677","10.1039/c6dt03958h","","","0.71073","MoKα","","0.0698","0.0612","","","0.1261","0.1318","","","","","","1.06","","","","has coordinates","191646","2020-10-21","18:00:00",""
"7041358","30.492","0.0008","15.9861","0.0007","25.7022","0.0013","90","","89.991","0.003","90","","12528.5","0.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C64 H40 O21 Tm3 -","- C64 H40 O21 Tm3 -","- C256 H160 O84 Tm12 -","4","1","","Mathis Ii, Stephan R.; Golafale, Saki T.; Bacsa, John; Steiner, Alexander; Ingram, Conrad W.; Doty, F. Patrick; Auden, Elizabeth; Hattar, Khalid","Mesoporous stilbene-based lanthanide metal organic frameworks: synthesis, photoluminescence and radioluminescence characteristics.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","491","500","10.1039/c6dt03755k","","x-ray","0.71073","MoKα","","0.0914","0.0745","","","0.191","0.2053","","","","","","1.055","","","","has coordinates","191583","2020-10-21","18:00:00",""
"7041359","30.6196","0.0011","16.0904","0.0009","25.8822","0.0017","90","","90.008","0.004","90","","12751.7","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C64 H40 Er3 O21 -","- C64 H40 Er3 O21 -","- C256 H160 Er12 O84 -","4","1","","Mathis Ii, Stephan R.; Golafale, Saki T.; Bacsa, John; Steiner, Alexander; Ingram, Conrad W.; Doty, F. Patrick; Auden, Elizabeth; Hattar, Khalid","Mesoporous stilbene-based lanthanide metal organic frameworks: synthesis, photoluminescence and radioluminescence characteristics.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","491","500","10.1039/c6dt03755k","","x-ray","0.71073","MoKα","","0.1134","0.0803","","","0.2066","0.2307","","","","","","1.031","","","","has coordinates","191583","2020-10-21","18:00:00",""
"7041533","18.7766","0.0005","12.825","0.0003","11.6171","0.0003","90","","109.073","0.001","90","","2643.94","0.12","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C36 H28 Fe3 -","- C36 H28 Fe3 -","- C144 H112 Fe12 -","4","1","","Vincent, Kevin B.; Gluyas, Josef B. G.; Zeng, Qiang; Yufit, Dmitry S.; Howard, Judith A. K.; Hartl, František; Low, Paul J.","Sandwich and half-sandwich metal complexes derived from cross-conjugated 3-methylene-penta-1,4-diynes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5522","5531","10.1039/c6dt04470k","","","0.71073","MoKα","","0.049","0.0427","","","0.1046","0.1101","","","","","","1.065","","","","has coordinates,has disorder","196399","2020-10-21","18:00:00",""
"7041556","20.084","0.003","12.6011","0.0017","16.863","0.002","90","","93.902","0.002","90","","4257.8","1","298","","298","","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C22 H44 Co F6 N3 O18 P3 Ru S2 -","- C22 H44 Co F6 N3 O18 P3 Ru S2 -","- C88 H176 Co4 F24 N12 O72 P12 Ru4 S8 -","4","1","","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","","","0.71073","MoKα","","0.0493","0.0485","","","0.1222","0.1236","","","","","","1","","","","has coordinates","191614","2020-10-21","18:00:00",""
"7041604","4.2917","0.0009","7.8624","0.0015","12.0505","0.0019","90","","90.44","0.03","90","","406.61","0.13","203","2","203","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B F K O4 P -","- B F K O4 P -","- B4 F4 K4 O16 P4 -","4","1","","Jiang, Ji-Hong; Zhang, Lin-Chuan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","KB(PO4)F: a novel acentric deep-ultraviolet material.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1677","1683","10.1039/c6dt04026h","","","0.71073","MoKα","","0.0666","0.0645","","","0.1815","0.1856","","","","","","1.093","","","","has coordinates","191663","2020-10-21","18:00:00",""
"7041652","7.867","0.001","15.592","0.002","14.279","0.002","90","","104.89","0.02","90","","1692.7","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","trichloro(2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)phenyl)borate","","- C15 H23 B Cl3 N -","- C15 H23 B Cl3 N -","- C60 H92 B4 Cl12 N4 -","4","1","","Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T.","Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2263","2269","10.1039/c6dt04649e","","","0.71073","MoKα","","0.0368","0.0341","","","0.0842","0.0857","","","","","","1.035","","","","has coordinates","193818","2020-10-21","18:00:00",""
"7041723","25.088","0.003","20.956","0.003","20.011","0.003","90","","102.342","0.005","90","","10278","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H26 Mn N2 O8 -","- C28 H26 Mn N2 O8 -","- C448 H416 Mn16 N32 O128 -","16","4","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2699","2714","10.1039/c6dt04012h","","","0.71073","MoKα","","0.0528","0.0407","","","0.0871","0.0944","","","","","","1.07","","","","has coordinates","193793","2020-10-21","18:00:00",""
"7041739","19.8577","0.0009","8.0385","0.0003","18.2723","0.0009","90","","102.001","0.004","90","","2853","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","trp032014","trp032014","","- C27 H38 B Cu N7 O3 -","- C27 H38 B Cu N7 O3 -","- C108 H152 B4 Cu4 N28 O12 -","4","1","","Porter, Thomas R.; Hayes, Ellen C.; Kaminsky, Werner; Mayer, James M.","Sterically directed nitronate complexes of 2,6-di-tert-butyl-4-nitrophenoxide with Cu(ii) and Zn(ii) and their H-atom transfer reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2551","2558","10.1039/c6dt04427a","","","0.71073","MoKα","","0.0381","0.0304","","","0.0615","0.0641","","","","","","1.044","","","","has coordinates","193774","2020-10-21","18:00:00",""
"7041835","7.312","0.003","12.672","0.005","11.528","0.004","90","","98.869","0.005","90","","1055.4","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cd Ge2 Na2 S6 -","- Cd Ge2 Na2 S6 -","- Cd4 Ge8 Na8 S24 -","4","1","","Li, Guang-Mao; Liu, Qiong; Wu, Kui; Yang, Zhi-Hua; Pan, Shi-Lie","Na2CdGe2Q6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2778","2784","10.1039/c7dt00087a","","","0.71073","MoKα","","0.0266","0.0238","","","0.0449","0.0461","","","","","","0.983","","","","has coordinates","193852","2020-10-21","18:00:00",""
"7041836","7.589","0.004","13.182","0.007","12.069","0.006","90","","98.829","0.007","90","","1193.1","1.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cd Ge2 Na2 Se6 -","- Cd Ge2 Na2 Se6 -","- Cd4 Ge8 Na8 Se24 -","4","1","","Li, Guang-Mao; Liu, Qiong; Wu, Kui; Yang, Zhi-Hua; Pan, Shi-Lie","Na2CdGe2Q6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2778","2784","10.1039/c7dt00087a","","","0.71073","MoKα","","0.0663","0.0458","","","0.0784","0.0861","","","","","","0.973","","","","has coordinates","193852","2020-10-21","18:00:00",""
"7041954","15.888","0.003","13.4639","0.0018","16.442","0.003","90","","102.98","0.02","90","","3427.3","1","170","2","170","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H39 F3 N8 -","- C36 H39 F3 N8 -","- C144 H156 F12 N32 -","4","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","0.7107","MoKα","","0.207","0.0793","","","0.2261","0.257","","","","","","0.782","","","","has coordinates","196406","2020-10-21","18:00:00",""
"7042033","9.3495","0.0006","18.1075","0.0009","25.4205","0.0011","90","","94.671","0.005","90","","4289.3","0.4","293","2","293.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H49 B11 N O P -","- C44 H49 B11 N O P -","- C176 H196 B44 N4 O4 P4 -","4","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.0505","0.0419","","","0.0922","0.0978","","","","","","1.018","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042094","20.9359","0.0004","27.5973","0.0006","17.753","0.0006","90","","122.308","0.001","90","","8669.3","0.4","120","2","120","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C100 H66 As3 Fe N20 O -","- C100 H66 As3 Fe N20 O -","- C400 H264 As12 Fe4 N80 O4 -","4","1","","Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert","Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3482","3491","10.1039/c7dt00293a","","","0.71073","MoKα","","0.0702","0.0479","","","0.0795","0.0865","","","","","","1.021","","","","has coordinates","195107","2020-10-21","18:00:00",""
"7042095","20.9033","0.0007","27.5801","0.0011","17.7843","0.001","90","","122.388","0.002","90","","8658","0.7","120","2","120","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C100 H66 As3 Co N20 O -","- C100 H66 As3 Co N20 O -","- C400 H264 As12 Co4 N80 O4 -","4","1","","Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert","Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3482","3491","10.1039/c7dt00293a","","","0.71073","MoKα","","0.0502","0.0375","","","0.0651","0.0689","","","","","","1.018","","","","has coordinates","195107","2020-10-21","18:00:00",""
"7042138","13.9922","0.0004","16.286","0.0002","9.5112","0.0003","90","","102.863","0.005","90","","2112.99","0.1","150","1","150","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H23 As Fe N2 O4 -","- C20 H23 As Fe N2 O4 -","- C80 H92 As4 Fe4 N8 O16 -","4","1","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0207","0.0181","","","0.0401","0.0421","","","","","","1.09","","","","has coordinates","195100","2020-10-21","18:00:00",""
"7042316","15.9461","0.0006","16.3041","0.0006","7.6492","0.0003","90","","97.132","0.001","90","","1973.3","0.13","103","2","103","2","","","","","","","","6","C 1 c 1","C -2yc","9","","' Chloro-(η^5^-pentamethylcyclopentadienyl)-(quinolin-8-olato)- rhodium'","","- C19 H27 Cl N O4 Rh -","- C19 H27 Cl N O4 Rh -","- C76 H108 Cl4 N4 O16 Rh4 -","4","1","","Dömötör, Orsolya; Pape, Veronika F. S.; May, Nóra V; Szakács, Gergely; Enyedy, Éva A","Comparative solution equilibrium studies of antitumor ruthenium(η(6)-p-cymene) and rhodium(η(5)-C5Me5) complexes of 8-hydroxyquinolines.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4382","4396","10.1039/c7dt00439g","","","0.71073","MoKα","","0.0329","0.0311","","","0.073","0.0739","","","","","","1.105","","","","has coordinates","195068","2020-10-21","18:00:00",""
"7042343","30.8174","0.0007","8.5618","0.0004","13.1881","0.0006","90","","119.006","0.003","90","","3043.2","0.2","110","","110","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H26 N3 Ni O4.5 -","- C11 H26 N3 Ni O4.5 -","- C88 H208 N24 Ni8 O36 -","8","2","","Rühlig, Karoline; Abylaikhan, Akerke; Aliabadi, Azar; Kataev, Vladislav; Liebing, Simon; Schwalbe, Sebastian; Trepte, Kai; Ludt, Christian; Kortus, Jens; Büchner, Bernd; Rüffer, Tobias; Lang, Heinrich","Ni(II) formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3963","3979","10.1039/c6dt04556a","","","0.71073","MoKα","","0.028","0.0259","","","0.0575","0.0587","","","","","","1.03","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7042681","40.2932","0.0019","26.2969","0.0012","16.772","0.0008","90","","104.45","0.002","90","","17209.2","1.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","H(DMF)2[1]","","- C24.2 H14.4 Cl12.4 N2 O8 P -","- C24.2 H14.4 Cl12.4 N2 O8 P -","- C484 H288 Cl248 N40 O160 P20 -","20","5","","Hazin, Khatera; Serin, Spencer C.; Patrick, Brian O.; Ezhova, Maria B.; Gates, Derek P.","[HL2][P(1,2-O2C6Cl4)3] (L = THF, DMF): Brønsted acid initiators for the polymerization of n-butyl vinyl ether and p-methoxystyrene","Dalton Trans.","2017","","","","","10.1039/C6DT04820J","","x-ray","0.71073","MoKα","","0.0629","0.0539","","","0.1283","0.1346","","","","","","1.053","","","","has coordinates","195401","2020-10-21","18:00:00",""
"7042802","20.4381","0.0014","6.4522","0.0003","18.5152","0.0012","90","","116.319","0.005","90","","2188.5","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H32 Fe Ni P2 -","- C23 H32 Fe Ni P2 -","- C92 H128 Fe4 Ni4 P8 -","4","1","","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","","0.0633","0.0629","","","0.1524","0.1533","","","","","","1.059","","","","has coordinates,has disorder","195771","2020-10-21","18:00:00",""
"7042863","11.3865","0.0016","52.654","0.007","10.1696","0.0012","90","","123.991","0.002","90","","5055.3","1.2","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C36 H58 F12 Fe2 N4 P2 Pd S6 -","- C36 H58 F12 Fe2 N4 P2 Pd S6 -","- C144 H232 F48 Fe8 N16 P8 Pd4 S24 -","4","1","","Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu","Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00719A","","","0.71073","MoKα","","0.0386","0.0307","","","0.0701","0.073","","","","","","0.987","","","","has coordinates","195903","2020-10-21","18:00:00",""
"7042893","9.1415","0.0008","21.906","0.002","11.8206","0.001","90","","104.863","0.004","90","","2287.9","0.4","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H25 B F4 N2 Ni O2 -","- C22.966 H24.898 B F4 N2 Ni O2 -","- C91.864 H99.592 B4 F16 N8 Ni4 O8 -","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","","0.0673","0.0552","","","0.1373","0.1453","","","","","","1.0362","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7042917","11.324","0.003","17.756","0.004","7.1389","0.0017","90","","118.871","0.002","90","","1257","0.5","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","[Tb(BTC)(H2O)6]","[Tb(BTC)(H2O)6]","","- C9 H15 O12 Tb -","- C9 H15 O12 Tb -","- C36 H60 O48 Tb4 -","4","1","","Honjo, Masayuki; Koshiyama, Tomomi; Fukunaga, Yumi; Tsuji, Yasuhiro; Tanaka, Motoki; Ohba, Masaaki","Sensing of Fluoride Ions in Aqueous Media using a Luminescent Coordination Polymer and Liposome Composite","Dalton Trans.","2017","","","","","10.1039/C7DT01071K","","","0.71073","MoKα","","0.0305","0.0263","","","0.0575","0.0591","","","","","","0.994","","","","has coordinates","196550","2020-10-21","18:00:00",""
"7043025","12.5325","0.0004","13.6104","0.0005","12.315","0.0003","90","","119.507","0.0016","90","","1828.13","0.1","200","","200","","","","","","","","Research School of Chemistry","5","C 1 c 1","C -2yc","9","","","","- C16 H24 B Br P2 -","- C16 H24 B Br P2 -","- C64 H96 B4 Br4 P8 -","4","1","","Hill, Anthony; Ward, Jas S.","Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts","Dalton Trans.","2017","","","","","10.1039/C7DT01023K","","","0.71073","MoKα","","0.0401","0.0299","","0.0603","0.0568","0.0603","","","","","","0.9862","","","","has coordinates","196778","2020-10-21","18:00:00",""
"7043051","13.232","0.004","8.981","0.003","13.232","0.004","90","","93.292","0.004","90","","1569.9","0.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cu(CO3)(1-methylimidazole)3","","- C13 H18 Cu N6 O3 -","- C13 H18 Cu N6 O3 -","- C52 H72 Cu4 N24 O12 -","4","1","","Vaid, Thomas; Kelley, Steven Paul; Rogers, Robin D.","Metal Carbonate Complexes Formed Through the Capture of Ambient O2 and CO2 by Elemental Metals in 1-methylimidazole: Molecular Cu(CO3)(MeIm)3 and Polymeric M(CO3)(MeIm)2·2H2O (M = Co, Zn)","Dalton Trans.","2017","","","","","10.1039/C7DT01787A","","","0.71073","MoKα","","0.0318","0.0283","","","0.0615","0.0628","","","","","","1.028","","","","has coordinates","196814","2020-10-21","18:00:00",""
"7043122","10.4495","0.0002","22.0539","0.0005","21.9358","0.0004","90","","94.529","0.001","90","","5039.37","0.18","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C38 H40 Cl4 F6 N6 O13 P Ru3 -","- C38 H40 Cl4 F6 N6 O13 P Ru3 -","- C152 H160 Cl16 F24 N24 O52 P4 Ru12 -","4","1","","Possato, Bruna; Deflon, Victor; Naal, Zeki; Formiga, André Luiz Barboza; Nikolaou, Sofia","Extended π-system and enhanced electronic delocalization on symmetric [Ru3O(CH3COO)6(L)3]n complexes combined to azanaphthalene ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01152K","","","0.71073","MoKα","","0.031","0.03","","","0.0808","0.0818","","","","","","1.087","","","","has coordinates,has disorder","196989","2020-10-21","18:00:00",""
"7043131","21.6061","0.0002","12.18356","0.0001","21.5114","0.0002","90","","91.2212","0.0009","90","","5661.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 c 1","C -2yc","9","Trispyridylphosphine antimony tris triflate","Trispyridylphosphine antimony tris triflate","","- C19 H13.5 F9 N3.5 O9 P S3 Sb -","- C19 H13.5 F9 N3.5 O9 P S3 Sb -","- C152 H108 F72 N28 O72 P8 S24 Sb8 -","8","2","","Suter, Riccardo; Sinclair, Hannah; Burford, Neil; McDonald, Robert; Ferguson, Michael J.; Schrader, Erik","Tris(2-pyridyl)phosphine as a versatile ligand for pnictogen acceptors","Dalton Trans.","2017","","","","","10.1039/C7DT01526G","","x-ray","0.71073","MoKα","K-L~3~","0.0168","0.0165","","","0.0391","0.0392","","","","","","1.054","","","","has coordinates,has disorder","197012","2020-10-21","18:00:00",""
"7043186","24.7347","0.0011","10.2557","0.0004","20.8397","0.0014","90","","125.687","0.001","90","","4293.7","0.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C4 H38 Co2 Mo10 N4 O45 Sr -","- C4 H20 Co2 Mo10 N4 O45 Sr -","- C16 H80 Co8 Mo40 N16 O180 Sr4 -","4","1","","Hou, Yujiao; An, Haiyan; Ding, Baojun; Li, Yanqin","Evans-Showell-type polyoxometalate constructing novel 3D inorganic architectures with alkaline earth metal linkers: syntheses, structures and catalytic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01302G","","","0.71073","MoKα","","0.0185","0.018","","","0.0462","0.0464","","","","","","1.058","","","","has coordinates","197140","2020-10-21","18:00:00",""
"7043187","17.694","0.002","18.248","0.003","13.2001","0.0018","90","","104.486","0.002","90","","4126.6","1","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C4 H38 Ba Co2 Mo10 N4 O44 -","- C4 H20 Ba Co2 Mo10 N4 O44 -","- C16 H80 Ba4 Co8 Mo40 N16 O176 -","4","1","","Hou, Yujiao; An, Haiyan; Ding, Baojun; Li, Yanqin","Evans-Showell-type polyoxometalate constructing novel 3D inorganic architectures with alkaline earth metal linkers: syntheses, structures and catalytic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01302G","","","0.71073","MoKα","","0.0353","0.034","","","0.0846","0.0855","","","","","","1.031","","","","has coordinates","197140","2020-10-21","18:00:00",""
"7043249","7.6436","0.0009","22.957","0.003","8.8476","0.0011","90","","102.692","0.001","90","","1514.6","0.3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 N2 O7 Pt -","- C14 H14 N2 O7 Pt -","- C56 H56 N8 O28 Pt4 -","4","1","","Ohno, Keiji; Tanuma, Honami; Kusano, Yukiko; Kaizaki, Sumio; Nagasawa, Akira; Fujihara, Takashi","Luminescence of tartrate bridged dinuclear 2,2′-bipyridine platinum(ii) complexes: emission color controlled by intra- and inter-molecular interactions in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00745K","","","0.71073","MoKα","","0.0136","0.0131","","","0.0302","0.0304","","","","","","0.85","","","","has coordinates","197550","2020-10-21","18:00:00",""
"7043278","15.7621","0.0004","7.4818","0.0002","17.8088","0.0004","90","","95.917","0.002","90","","2088.98","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H25 Fe N2 P -","- C24 H25 Fe N2 P -","- C96 H100 Fe4 N8 P4 -","4","1","","Zheng, Wenjun; Duan, Lian; Zhang, Xiang","1,2-Diaza-4-phosphaferrocenes: Synthesis, Structural Characterization, 57Fe Mössbauer Spectrum Analysis, and DFT Calculation","Dalton Trans.","2017","","","","","10.1039/C7DT01732D","","x-ray","1.54184","CuKα","","0.0697","0.0676","","","","0.1862","","","","","","1.0765","","","","has coordinates","197675","2020-10-21","18:00:00",""
"7043507","28.8876","0.0014","23.264","0.0009","24.7611","0.0011","90","","97.383","0.004","90","","16502.5","1.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C154 H226 Cl8 N20 O16 -","- C154 H222 Cl8 N20 O16 -","- C616 H888 Cl32 N80 O64 -","4","1","","Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal","Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold","Dalton Trans.","2017","","","","","10.1039/C7DT01697B","","","0.71073","MoKα","","0.28","0.1042","","","0.2619","0.3864","","","","","","0.868","","","","has coordinates,has disorder","198302","2020-10-21","18:00:00",""
"7043561","18.571","0.014","17.955","0.014","9.942","0.011","90","","90.48","0.02","90","","3315","5","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H34 Cl2 Fe P2 S -","- C35 H34 Cl2 Fe P2 S -","- C140 H136 Cl8 Fe4 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","","","0.71075","MoKα","","0.0555","0.0483","","","0.1233","0.1414","","","","","","1.097","","","","has coordinates","198620","2020-10-21","18:00:00",""
"7043640","18.773","0.007","11.663","0.005","7.923","0.003","90","","90.88","0.01","90","","1734.5","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 N3 O4 V -","- C18 H18 N3 O4 V -","- C72 H72 N12 O16 V4 -","4","1","","Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas","Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species","Dalton Trans.","2017","","","","","10.1039/C7DT01776F","","","0.71073","MoKα","","0.1056","0.0761","","","0.1796","0.2053","","","","","","1.028","","","","has coordinates","198744","2020-10-21","18:00:00",""
"7043694","8.1171","0.0004","15.7539","0.0007","15.0788","0.0007","90","","91.37","0.004","90","","1927.67","0.16","183","1","183","1","","","","","","","","6","C 1 c 1","C -2yc","9","","to be completed","","- C18 H25 F6 N P Tc -","- C18 H25 F6 N P Tc -","- C72 H100 F24 N4 P4 Tc4 -","4","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","x-ray","0.71073","MoKα","","0.0508","0.0498","","","0.1344","0.1356","","","","","","1.057","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043856","10.106","0.003","10.342","0.003","15.143","0.005","90","","99.523","0.005","90","","1560.9","0.8","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H4 N18 O3 Pb3 -","- C4 H4 N18 O3 Pb3 -","- C16 H16 N72 O12 Pb12 -","4","1","","Xu, Yuangang; Liu, wei; li, dongxue; Chen, Houhe; Lu, Ming","In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives : a family of insensitive energetic materials","Dalton Trans.","2017","","","","","10.1039/C7DT02582C","","","0.71073","MoKα","","0.05","0.0483","","","0.1153","0.1167","","","","","","1.08","","","","has coordinates","199421","2020-10-21","18:00:00",""
"7043916","18.206","0.002","14.737","0.0017","6.7877","0.0008","90","","90.123","0.001","90","","1821.1","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H21 Co N2 O3 -","- C22 H21 Co N2 O3 -","- C88 H84 Co4 N8 O12 -","4","1","","Hazra, Susanta; Martins, Nuno M. R.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Flexibility and lability of a phenyl ligand in hetero-organometallic 3d metal-Sn(IV) compounds and their catalytic activity in Baeyer‒Villiger oxidation of cyclohexanone","Dalton Trans.","2017","","","","","10.1039/C7DT02534C","","","0.71073","MoKα","","0.0707","0.0471","","","0.0846","0.092","","","","","","1.101","","","","has coordinates,has disorder","199506","2020-10-21","18:00:00",""
"7043949","10.212","0.005","20.369","0.005","23.068","0.005","90","","100.324","0.005","90","","4721","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H40.5 Cu2 Er N8.5 O13 -","- C39 H40.5 Cu2 Er N8.5 O13 -","- C156 H162 Cu8 Er4 N34 O52 -","4","1","","Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh","Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets","Dalton Trans.","2017","","","","","10.1039/C7DT02061A","","","0.71073","MoKα","","0.1385","0.1022","","","0.2387","0.2576","","","","","","1.082","","","","has coordinates","199711","2020-10-21","18:00:00",""
"7044095","39.0472","0.0011","12.7721","0.0003","28.8454","0.0014","90","","131.761","0.001","90","","10730.7","0.7","120","","120","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85 H95 Cu4 Na4 O30.5 Si12 -","- C85 H95 Cu4 Na4 O30.5 Si12 -","- C340 H380 Cu16 Na16 O122 Si48 -","4","1","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","1.54178","CuKα","","0.0995","0.0809","","","0.1864","0.202","","","","","","1.086","","","","has coordinates,has disorder","200112","2020-10-21","18:00:00",""
"7044139","9.4207","0.0005","18.4255","0.0009","6.3412","0.0003","90","","110.193","0.003","90","","1033.06","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 K2 N6 O4 -","- C6 H4 K2 N6 O4 -","- C24 H16 K8 N24 O16 -","4","1","","Bunzen, Hana; Lamp, Anton; Grzywa, Maciej; Barkschat, Christa; Volkmer, Dirk","Bistriazole-p-benzoquinone and its alkali salts: electrochemical behaviour in aqueous alkaline solutions","Dalton Trans.","2017","","","","","10.1039/C7DT02803B","","","0.71073","MoKα","","0.0827","0.0557","","","0.113","0.1222","","","","","","1.055","","","","has coordinates","200361","2020-10-21","18:00:00",""
"7044308","3.7059","0.0009","25.344","0.006","7.2132","0.0017","90","","101.824","0.004","90","","663.1","0.3","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H5 N7 O2 -","- C3 H5 N7 O2 -","- C12 H20 N28 O8 -","4","1","","Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua","Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT03320F","","","0.71073","MoKα","","0.0409","0.0354","","","0.0746","0.0776","","","","","","1.032","","","","has coordinates","201163","2020-10-21","18:00:00",""
"7044477","12.215","0.004","7.845","0.003","12.172","0.004","90","","107.323","0.015","90","","1113.5","0.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B4 H15 N3 O10 Zn -","- B4 H15 N3 O10 Zn -","- B16 H60 N12 O40 Zn4 -","4","1","","Imer, Marcos Ramón; González, Mariana Estefani; Veiga, Nicolás; Kremer, Carlos; Suescun, Leopoldo; Arizaga, Livia","Synthesis, structural characterization and scalable preparation of new amino-zinc borates.","Dalton Trans.","2017","","","","","10.1039/C7DT03186F","","","0.71073","MoKα","","0.0384","0.0312","","","0.0707","0.0738","","","","","","1.069","","","","has coordinates","202045","2020-10-21","18:00:00",""
"7044599","18.725","0.002","13.2472","0.0018","22.395","0.003","90","","93.657","0.005","90","","5543.9","1.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H78 Cl12 N2 P2 Ru2 -","- C41 H78 Cl12 N2 P2 Ru2 -","- C164 H312 Cl48 N8 P8 Ru8 -","4","1","","Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio","Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03369A","","","0.71073","MoKα","","0.0814","0.0768","","","0.2078","0.2148","","","","","","1.075","","","","has coordinates,has disorder","202465","2020-10-21","18:00:00",""
"7044754","14.2328","0.0007","14.804","0.0007","16.3008","0.0008","90","","92.5451","0.0018","90","","3431.2","0.3","100","","100","","","","","","","","dichlormethane","6","C 1 c 1","C -2yc","9","","","","- C34 H45 B2 F8 N2 P -","- C34 H45 B2 F8 N2 P -","- C136 H180 B8 F32 N8 P4 -","4","1","","Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel","Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction","Dalton Transactions","2017","","","","","10.1039/C7DT03197A","","","1.54178","Cu-Kα","","0.0774","0.0768","","","0.2006","0.2017","","","","","","1.085","","","","has coordinates,has disorder","276360","2022-06-28","17:26:33",""
"7044997","10.6306","0.0009","26.7797","0.0016","18.074","0.0014","90","","101.352","0.008","90","","5044.7","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","(Eind)2GeBr2","dibromogermane","","- C56 H90 Br2 Ge -","- C56 H90 Br2 Ge -","- C224 H360 Br8 Ge4 -","4","1","","Hayakawa, Naoki; Sugahara, Tomohiro; Numata, Yasuyuki; Kawaai, Hotaka; Yamatani, Kenta; Nishimura, Shogo; Goda, Shun; Suzuki, Yuko; Tanikawa, Tomoharu; Nakai, Hidetaka; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa","1,2-Dihalodigermenes bearing bulky Eind groups: synthesis, characterization, and conversion to halogermylenoids.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","814","822","10.1039/c7dt03819d","","","0.71073","MoKα","","0.1383","0.1166","","","0.2992","0.3219","","","","","","1.026","","","","has coordinates","230073","2020-10-21","18:00:00",""
"7045082","7.6294","0.0018","33.347","0.008","7.1324","0.0017","90","","110.008","0.003","90","","1705.1","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H20 Cl Eu0 N O6 -","- C15 H20 Cl N O6 -","- C60 H80 Cl4 N4 O24 -","4","1","","Qu, Jian; Xia, Qing; Ji, Wei; Jing, Su; Zhu, Dunru; Li, Lin; Huang, Ling; An, Zhongfu; Xin, Chenqi; Ni, Yun; Li, Mengxue; Jia, Jidong; Song, Yinglin; Huang, Wei","A ferrocene∩europium assembly showing phototriggered anticancer activity and fluorescent modality imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1479","1487","10.1039/c7dt04492e","","","0.71073","MoKα","","0.0673","0.0636","","","0.1897","0.1962","","","","","","1.086","","","","has coordinates","229458","2020-10-21","18:00:00",""
"7045281","15.6866","0.0005","21.3744","0.0007","16.2434","0.0005","90","","99.357","0.003","90","","5373.8","0.3","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H35 F16 O13.5 Zn2 -","- C44 H32 F16 O13.5 Zn2 -","- C176 H128 F64 O54 Zn8 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate: synthesis, crystal structure, and surface functionality.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3283","3297","10.1039/c7dt04566b","","x-ray","0.71073","MoKα","","0.0697","0.0626","","","0.1776","0.1802","","","","","","1.183","","","","has coordinates,has disorder","229246","2020-10-21","18:00:00",""
"7045522","15.8873","0.0003","9.6949","0.0002","18.3533","0.0005","90","","101.565","0.003","90","","2769.49","0.11","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H24 Br4 P2 S -","- C26 H24 Br4 P2 S -","- C104 H96 Br16 P8 S4 -","4","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0354","0.0279","","","0.0519","0.0539","","","","","","1.055","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045715","12.7786","0.0018","47.775","0.007","9.2651","0.001","90","","92.972","0.005","90","","5648.7","1.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H24 Ce2 N12 O40 -","- C42 H24 Ce2 N12 O40 -","- C168 H96 Ce8 N48 O160 -","4","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0723","0.0541","","","0.128","0.1451","","","","","","0.901","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7045719","12.839","0.0014","47.454","0.006","9.203","0.0009","90","","92.811","0.004","90","","5600.3","1.1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H18 N12 O40 Sm2 -","- C42 H18 N12 O40 Sm2 -","- C168 H72 N48 O160 Sm8 -","4","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0759","0.0522","","","0.1174","0.1343","","","","","","0.878","","","","has coordinates,has disorder","229746","2020-10-21","18:00:00",""
"7045723","12.771","0.003","47.712","0.009","9.221","0.002","90","","92.452","0.011","90","","5613","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H18 N12 O40 Pr2 -","- C42 H18 N12 O40 Pr2 -","- C168 H72 N48 O160 Pr8 -","4","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0532","0.039","","","0.0731","0.0785","","","","","","0.974","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7046217","18.521","0.003","13.621","0.002","14.615","0.003","90","","117.355","0.002","90","","3274.7","1","93","","93","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H28 B2 Cl2 N16 O Ru2 -","- C25 H28 B2 Cl2 N16 O Ru2 -","- C100 H112 B8 Cl8 N64 O4 Ru8 -","4","1","","Arikawa, Yasuhiro; Hiura, Junko; Tsuchii, Chika; Kodama, Mika; Matsumoto, Naoki; Umakoshi, Keisuke","Synthetic NO reduction cycle on a bis(pyrazolato)-bridged dinuclear ruthenium complex including photo-induced transformation","Dalton Transactions","2018","","","","","10.1039/C8DT01208C","","","0.71075","MoKα","","0.0228","0.0203","","","0.0435","0.0442","","","","","","0.984","","","","has coordinates","207621","2020-10-21","18:00:00",""
"7046225","10.4501","0.0008","24.7509","0.0016","8.0062","0.0006","90","","120.52","0.005","90","","1783.9","0.2","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 B N2 -","- C24 H19 B N2 -","- C96 H76 B4 N8 -","4","1","","Stanoppi, Marco; Lorbach, Andreas","Boron-based donor-spiro-acceptor compounds exhibiting thermally activated delayed fluorescence (TADF).","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10394","10398","10.1039/c8dt01255e","","x-ray","0.71073","MoKα","","0.0616","0.045","","","0.0912","0.0966","","","","","","1.009","","","","has coordinates","229821","2020-10-21","18:00:00",""
"7046258","19.6751","0.0016","10.1156","0.0008","21.2181","0.0017","90","","117.124","0.001","90","","3758.5","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H46 N8 O2 Zn -","- C42 H46 N8 O2 Zn -","- C168 H184 N32 O8 Zn4 -","4","1","","Huang, Yong; Kou, Xin; Duan, Yu-Lai; Ding, Fei-Fei; Yin, Yi-Fan; Wang, Wei; Yang, Ying","Magnesium and zinc complexes bearing NNO-tridentate ketiminate ligands: synthesis, structures and catalysis in the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8121","8133","10.1039/c8dt00888d","","","0.71073","MoKα","","0.0428","0.0356","","","0.0777","0.0801","","","","","","1.008","","","","has coordinates","229215","2020-10-21","18:00:00",""
"7046602","14.7484","0.0004","14.7713","0.0003","22.8613","0.0007","90","","97.39","0.003","90","","4939","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H144 Cu8 I8 Se8 -","- C64 H144 Cu8 I8 Se8 -","- C128 H288 Cu16 I16 Se16 -","2","0.5","","Gahlot, Sweta; Jeanneau, Erwann; Dappozze, Frederic; Guillard, Chantal; Mishra, Shashank","Precursor-mediated synthesis of Cu<sub>2-x</sub>Se nanoparticles and their composites with TiO<sub>2</sub> for improved photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8897","8905","10.1039/c8dt01625a","","x-ray","0.71073","MoKα","","0.1167","0.1127","","0.2373","0.2362","0.2371","","","","","","0.9738","","","","has coordinates","229315","2020-10-21","18:00:00",""
"7046665","25.3493","0.0019","11.5675","0.0008","17.5984","0.0013","90","","96.128","0.002","90","","5130.9","0.6","100","2","100","2","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C42 H74 Ca2 K2 N2 O2 Si4 -","- C42 H74 Ca2 K2 N2 O2 Si4 -","- C168 H296 Ca8 K8 N8 O8 Si16 -","4","1","","Sroor, Farid M.; Vendier, Laure; Etienne, Michel","Cyclooctatetraenyl calcium and strontium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12587","12595","10.1039/c8dt02257g","","","0.71073","MoKα","","0.0465","0.0437","","","0.1064","0.1087","","","","","","1.031","","","","has coordinates","229930","2020-10-21","18:00:00",""
"7046775","35.1374","0.0005","10.0176","0.0002","20.7404","0.0003","90","","96.767","0.001","90","","7249.6","0.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H26 Mn2 N8 O12 -","- C36 H26 Mn2 N8 O12 -","- C288 H208 Mn16 N64 O96 -","8","2","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","1.54184","CuKα","","0.0386","0.0379","","","0.0995","0.1011","","","","","","1.044","","","","has coordinates","229985","2020-10-21","18:00:00",""
"7046821","10.0158","0.0006","15.7842","0.0012","18.828","0.0012","90","","96.404","0.005","90","","2958","0.3","120","2","120","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C25 H47 Li O3 P2 Si -","- C25 H47 Li O3 P2 Si -","- C100 H188 Li4 O12 P8 Si4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Wiśniewska, Aleksandra; Pikies, Jerzy; Ponikiewski, Łukasz","Reactions of (Ph)tBuP-P(SiMe<sub>3</sub>)Li·3THF with [(PNP)TiCl<sub>2</sub>] and [<sup>Me</sup>NacNacTiCl<sub>2</sub>·THF]: synthesis of first PNP titanium(iv) complex with the phosphanylphosphinidene ligand [(PNP)Ti(Cl){η<sup>2</sup>-P-P(Ph)tBu}].","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9733","9741","10.1039/c8dt01833b","","x-ray","0.71073","MoKα","","0.2226","0.0898","","","0.1735","0.2268","","","","","","1.027","","","","has coordinates","229173","2020-10-21","18:00:00",""
"7046853","14.8284","0.0013","17","0.0015","14.5439","0.0013","90","","90.654","0.002","90","","3666","0.6","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14.5 H22 Fe I2 N P -","- C14.5 H22 Fe I2 N P -","- C116 H176 Fe8 I16 N8 P8 -","8","2","","Pick, Fraser S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Redox behaviour of ([fc(NP<sup>i</sup>Pr<sub>2</sub>)<sub>2</sub>]Fe)<sub>2</sub>, formation of an iron-iron bond and cleavage of azobenzene.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10925","10931","10.1039/c8dt00828k","","","0.71073","MoKα","","0.0252","0.0243","","","0.0572","0.0575","","","","","","1.136","","","","has coordinates,has disorder","229356","2020-10-21","18:00:00",""
"7046951","23.374","0.003","14.3114","0.0009","26.926","0.003","90","","122.947","0.017","90","","7559","2","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H107 Al K N2 O7 -","- C66 H107 Al K N2 O7 -","- C264 H428 Al4 K4 N8 O28 -","4","1","","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","","0.0684","0.0531","","0.1091","0.0896","0.1091","","","","","","0.9407","","","","has coordinates","229842","2020-10-21","18:00:00",""
"7047059","22.8621","0.0015","16.648","0.0015","19.7908","0.0016","90","","114.979","0.006","90","","6828","1","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C52 H105 Cl Cu4 Mn2 N4 O17 -","- C52 H105 Cl Cu4 Mn2 N4 O17 -","- C208 H420 Cl4 Cu16 Mn8 N16 O68 -","4","1","","Nesterova, Oksana V.; Nesterov, Dmytro S.; Vranovičová, Beáta; Boča, Roman; Pombeiro, Armando J. L.","Heterometallic Cu<sup>II</sup>Fe<sup>III</sup> and Cu<sup>II</sup>Mn<sup>III</sup> alkoxo-bridged complexes revealing a rare hexanuclear M<sub>6</sub>(μ-X)<sub>7</sub>(μ<sub>3</sub>-X)<sub>2</sub> molecular core.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10941","10952","10.1039/c8dt02290a","","","0.71073","MoKα","","0.133","0.0634","","","0.1114","0.1339","","","","","","0.988","","","","has coordinates,has disorder","229368","2020-10-21","18:00:00",""
"7047086","43.866","0.007","17.754","0.003","24.228","0.004","90","","117.574","0.003","90","","16725","5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52.67 H14.33 B Cl1.33 F39 P -","- C52.6667 H14.3333 B Cl1.33333 F39 P -","- C632 H172 B12 Cl16 F468 P12 -","12","3","","LaFortune, James H. W.; Szkop, Kevin M.; Farinha, Farah E.; Johnstone, Timothy C.; Postle, Shawn; Stephan, Douglas W.","Probing steric influences on electrophilic phosphonium cations: a comparison of [(3,5-(CF<sub>3</sub>)<sub>2</sub>C<sub>6</sub>H<sub>3</sub>)<sub>3</sub>PF]<sup>+</sup> and [(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>PF]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11411","11419","10.1039/c8dt02594k","","","0.71073","MoKα","","0.1555","0.0741","","","0.1751","0.2329","","","","","","1.039","","","","has coordinates","229420","2020-10-21","18:00:00",""
"7047211","27.939","0.0017","27.838","0.0016","23.6342","0.0013","90","","101.089","0.004","90","","18038.7","1.8","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C91 H108 Al2 N4 O4 -","- C91 H108 Al2 N4 O4 -","- C728 H864 Al16 N32 O32 -","8","2","","Kazarina, Olga V.; Gourlaouen, Christophe; Karmazin, Lydia; Morozov, Alexander G.; Fedushkin, Igor L.; Dagorne, Samuel","Low valent Al(ii)-Al(ii) catalysts as highly active ε-caprolactone polymerization catalysts: indication of metal cooperativity through DFT studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13800","13808","10.1039/c8dt02614a","","","1.54178","CuKα","","0.2097","0.1809","","","0.4239","0.4421","","","","","","1.503","","","","has coordinates","229499","2020-10-21","18:00:00",""
"7047418","25.09","0.002","10.1029","0.0006","15.1546","0.0009","90","","94.576","0.006","90","","3829.2","0.4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H40 Cl Mn N7 Ni2 O10 -","- C36 H40 Cl Mn N7 Ni2 O10 -","- C144 H160 Cl4 Mn4 N28 Ni8 O40 -","4","1","","Mahapatra, Prithwish; Drew, Michael G. B.; Ghosh, Ashutosh","Tri- and hexa-nuclear Ni<sup>II</sup>-Mn<sup>II</sup> complexes of a N<sub>2</sub>O<sub>2</sub> donor unsymmetrical ligand: synthesis, structures, magnetic properties and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13957","13971","10.1039/c8dt02962h","","","0.71073","MoKα","","0.0547","0.0461","","","0.088","0.0913","","","","","","1.038","","","","has coordinates","229509","2020-10-21","18:00:00",""
"7047631","10.0527","0.0004","19.703","0.0007","26.7727","0.0011","90","","98.947","0.002","90","","5238.3","0.4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C56 H58 Cl2 Fe2 N2 O4 P2 Pd2 -","- C56 H58 Cl2 Fe2 N2 O4 P2 Pd2 -","- C224 H232 Cl8 Fe8 N8 O16 P8 Pd8 -","4","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0228","0.0217","","","0.0545","0.0552","","","","","","1.069","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047639","11.5703","0.0012","13.3854","0.0015","11.046","0.0012","90","","118.061","0.003","90","","1509.6","0.3","147","2","147","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 Cl2 O2 Sn -","- C14 H14 Cl2 O2 Sn -","- C56 H56 Cl8 O8 Sn4 -","4","1","","Dhindsa, J. S.; Jacobs, B. F.; Lough, A. J.; Foucher, D. A.","""Push-push and push-pull"" polystannanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14094","14100","10.1039/c8dt03043j","","","0.71073","MoKα","","0.0409","0.0318","","","0.0582","0.0613","","","","","","1.102","","","","has coordinates","229497","2020-10-21","18:00:00",""
"7047673","15.153","0.003","13.63","0.002","16.654","0.003","90","","107.23","0.02","90","","3285.3","1.1","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37 H29 Cl2 Fe N7 O2 -","- C37 H29 Cl2 Fe N7 O2 -","- C148 H116 Cl8 Fe4 N28 O8 -","4","1","","Ayad, Massinisa; Klein Gebbink, Robertus J. M.; Le Mest, Yves; Schollhammer, Philippe; Le Poul, Nicolas; Pétillon, François Y; Mandon, Dominique","Mononuclear iron(ii) complexes containing a tripodal and macrocyclic nitrogen ligand: synthesis, reactivity and application in cyclohexane oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15596","15612","10.1039/c8dt02952k","","x-ray","0.71073","MoKα","","0.1888","0.0769","","","0.0771","0.0969","","","","","","0.822","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7047683","25.4257","0.0012","25.2741","0.0012","24.3365","0.0012","90","","90.9478","0.0016","90","","15636.8","1.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H36 N4 S4 Th -","- C44 H36 N4 S4 Th -","- C704 H576 N64 S64 Th16 -","16","4","","Ringgold, Marissa; Wu, Wen; Stuber, Matthew; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Monomeric thorium chalcogenolates with bipyridine and terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14652","14661","10.1039/c8dt02543f","","","0.71073","MoKα","","0.0957","0.0522","","","0.1002","0.1175","","","","","","0.958","","","","has coordinates,has disorder","229342","2020-10-21","18:00:00",""
"7048036","8.277","0.005","43.32","0.03","8.716","0.005","90","","112.867","0.008","90","","2880","3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H41 N2 P -","- C32 H41 N2 P -","- C128 H164 N8 P4 -","4","1","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Imino-stabilised phosphinidene (or azaphosphole?) and some of its derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17011","17019","10.1039/c8dt03465f","","","0.71073","MoKα","","0.1134","0.0601","","","0.1433","0.1696","","","","","","0.984","","","","has coordinates","229679","2020-10-21","18:00:00",""
"7048210","20.4459","0.0007","22.1125","0.0007","28.608","0.0011","90","","104.973","0.002","90","","12494.8","0.8","100","2","99.95","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H10 Ag F3 N4 O5 S -","- C16 H10 Ag F3 N4 O5 S -","- C448 H280 Ag28 F84 N112 O140 S28 -","28","7","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","1.54178","CuKα","","0.066","0.0522","","","0.1203","0.1288","","","","","","1.027","","","","has coordinates","229710","2020-10-21","18:00:00",""
"7048300","17.2739","0.0005","10.8748","0.0003","23.2168","0.0007","90","","90.452","0.006","90","","4361.1","0.2","123","","123","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H50 O22 Si12 -","- C16 H50 O22 Si12 -","- C64 H200 O88 Si48 -","4","1","","Sato, Naoto; Tochigi, Kazuma; Kuroda, Yoshiyuki; Wada, Hiroaki; Shimojima, Atsushi; Kuroda, Kazuyuki","Synthesis and crystal structure of double-three ring (D3R)-type cage siloxanes modified with dimethylsilanol groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1969","1975","10.1039/c8dt04244f","","","1.54187","CuKα","","0.1029","0.062","","","0.1204","0.135","","","","","","1.016","","","","has coordinates,has disorder","224155","2020-10-21","18:00:00",""
"7048339","14.874","0.003","15.244","0.003","18.47","0.004","90","","95.212","0.004","90","","4170.6","1.5","103","","103","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H32 Cr2 F12 O11 -","- C40 H22 Cr2 F12 O11 -","- C160 H88 Cr8 F48 O44 -","4","1","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.0993","0.0745","","","0.1943","0.2251","","","","","","1.083","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048361","8.6838","0.0008","33.813","0.003","9.7383","0.0009","90","","104.186","0.005","90","","2772.2","0.4","297","2","297.17","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H26 Cl2 Cu2 N2 O14 S2 -","- C17 H30 Cl2 Cu2 N2 O14 S2 -","- C68 H120 Cl8 Cu8 N8 O56 S8 -","4","1","","Das, Manisha; Afsan, Zeenat; Basak, Dipmalya; Arjmand, Farukh; Ray, Debashis","Thioether sulfur-bound [Cu<sub>2</sub>] complexes showing catechol oxidase activity and DNA cleaving behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1292","1313","10.1039/c8dt04183k","","","0.71073","MoKα","","0.0544","0.0462","","","0.1252","0.1326","","","","","","1.03","","","","has coordinates","224087","2020-10-21","18:00:00",""
"7048493","9.2352","0.0004","16.5996","0.0006","18.7713","0.0007","90","","94.733","0.004","90","","2867.84","0.19","150","0.1","150","0.1","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C27 H27 Cl2 N4 O P Ru S2 -","- C27 H27 Cl2 N4 O P Ru S2 -","- C108 H108 Cl8 N16 O4 P4 Ru4 S8 -","4","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","x-ray","0.71073","MoKα","","0.0312","0.0291","","","0.0641","0.0653","","","","","","1.045","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048509","5.1947","0.0007","13.717","0.002","10.9339","0.0016","90","","93.1","0.005","90","","777.96","0.19","100.15","","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H4 N2 S3 -","- C6 H4 N2 S3 -","- C24 H16 N8 S12 -","4","1","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0344","0.0344","","","0.0878","0.0879","","","","","","1.056","","","","has coordinates","224090","2020-10-21","18:00:00",""
"7048689","21.9017","0.001","15.3078","0.0008","13.875","0.0006","90","","120.601","0.009","90","","4004","0.5","173","","173","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C37 H59 Fe I Mo N2 O P2 -","- C37 H53 Fe I Mo N2 O P2 -","- C148 H212 Fe4 I4 Mo4 N8 O4 P8 -","4","1","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.0792","0.0725","","","0.1278","0.1313","","","","","","1.004","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7049048","11.6575","0.0009","21.88","0.002","22.8176","0.0018","90","","95.141","0.002","90","","5796.6","0.8","150","","150.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H46 Cl2 Fe6 Ge6 O14 -","- C50 H46 Cl2 Fe6 Ge6 O14 -","- C200 H184 Cl8 Fe24 Ge24 O56 -","4","1","","Schnepf, Andreas; Schrenk, Claudio; Preißing, Lars","On the reaction of GeCl2·Dioxane with KFeCp(CO)2: Isolation and characterization of novel bimetallic clusters","Dalton Transactions","2019","","","","","10.1039/C9DT00097F","","x-ray","0.71073","MoKα","","0.0387","0.0322","","","0.0755","0.0783","","","","","","1.076","","","","has coordinates","213700","2020-10-21","18:00:00",""
"7049125","15.2497","0.0015","9.0129","0.0009","14.6473","0.0015","90","","102.343","0.002","90","","1966.6","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H26 I N2 P -","- C18 H26 I N2 P -","- C72 H104 I4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0202","0.0194","","","0.0424","0.0426","","","","","","1.068","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049129","15.3375","0.0017","9.1435","0.001","14.7606","0.0017","90","","102.476","0.003","90","","2021.1","0.4","373","2","373","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H26 I N2 P -","- C18 H26 I N2 P -","- C72 H104 I4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0489","0.0385","","","0.0936","0.1","","","","","","1.042","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049376","22.007","0.007","12.847","0.007","11.149","0.005","90","","112.394","0.008","90","","2914","2","153","2","153","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C33 H29 O6 -","- C33 H25 O6 -","- C132 H100 O24 -","4","1","","Shen, Lingyi; Zhao, Yanxia; Luo, Qiong; Li, Qian-Shu; Liu, Bin; Redshaw, Carl; Wu, Biao; Yang, Xiao-Juan","Cyclotrimerization of alkynes catalyzed by a self-supported cyclic tri-nuclear nickel(0) complex with α-diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4643","4649","10.1039/c9dt00819e","","","0.71073","MoKα","","0.0928","0.062","","","0.1312","0.1446","","","","","","1.12","","","","has coordinates,has disorder","224298","2020-10-21","18:00:00",""
"7049756","23.3882","0.0011","11.1956","0.0003","21.9982","0.0009","90","","97.454","0.004","90","","5711.4","0.4","180.15","","180.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C69 H52 Cl2 N2 O4 P4 Pd -","- C69 H52 Cl2 N2 O4 P4 Pd -","- C276 H208 Cl8 N8 O16 P16 Pd4 -","4","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0652","0.0486","","","0.1141","0.1211","","","","","","1.06","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049814","15.8779","0.0004","10.3508","0.0004","19.6797","0.0008","90","","99.798","0.002","90","","3187.2","0.2","273","2","273.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H38 Co N4 O4 S2 -","- C32 H38 Co N4 O4 S2 -","- C128 H152 Co4 N16 O16 S8 -","4","1","","Wu, Tao; Zhai, Yuan-Qi; Deng, Yi-Fei; Chen, Wei-Peng; Zhang, Tao; Zheng, Yan-Zhen","Correlating magnetic anisotropy with the subtle coordination geometry variation of a series of cobalt(ii)-sulfonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15419","15426","10.1039/c9dt01296f","","","0.71073","MoKα","","0.0255","0.0236","","","0.0555","0.0563","","","","","","0.975","","","","has coordinates","223907","2020-10-21","18:00:00",""
"7050052","13.2954","0.0008","12.4529","0.0008","8.5445","0.0005","90","","97.917","0.001","90","","1401.2","0.15","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C56 H56 N24 O4 -","4","1","","Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith","Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands","New Journal of Chemistry","2005","29","8","1035","","10.1039/b414770g","","","0.71073","MoKα","","0.0314","0.0294","","","0.0625","0.063","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050080","38.252","0.006","8.936","0.003","40.475","0.006","90","","103.49","0.03","90","","13453","6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(5,10,15,20-(4'pyridyl)-porphyrin)-tetra-(tetrachloro-nitrosyl-ruthenate(III)) tetra(tetrabutylamonium) bis(nitromethane) diethylether solvate","","- C108 H181 Cl16 N18 O8.5 Ru4 -","- C108 H181 Cl16.41 N17.59 O8.09 Ru4 -","- C432 H724 Cl65.64 N70.36 O32.36 Ru16 -","4","1","","Gianferrara, Teresa; Serli, Barbara; Zangrando, Ennio; Iengo, Elisabetta; Alessio, Enzo","Pyridylporphyrins peripherally coordinated to ruthenium-nitrosyls, including the water-soluble Na4[Zn·4′TPyP{RuCl4(NO)}4]: synthesis and structural characterization","New Journal of Chemistry","2005","29","7","895","","10.1039/b418855a","","","1","synchrotron","","0.0559","0.0549","","","0.1522","0.1541","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050119","15.279","0.001","12.807","0.001","12.191","0.001","90","","94.51","0.01","90","","2378.1","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H21 Co N2 O2 S2 -","- C28 H21 Co N2 O2 S2 -","- C112 H84 Co4 N8 O8 S8 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0303","0.0276","","","0.0624","0.0636","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050184","21.8166","0.0004","7.3939","0.0001","21.5138","0.0003","90","","118.016","0.0007","90","","3063.72","0.08","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,6-bis(hydrazonomethyl)pyridine)copper(ii) diperchlorate bis-acetone solvate","Bis[2,6-bis{hydrazonomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate","","- C20 H30 Cl2 Cu N10 O10 -","- C20 H30 Cl2 Cu N10 O10 -","- C80 H120 Cl8 Cu4 N40 O40 -","4","1","","Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.","Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres","New Journal of Chemistry","2004","28","2","228","","10.1039/b309071j","","","0.71073","MoKα","","0.0569","0.049","","","0.1317","0.1382","","","","","","1.061","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050200","9.9757","0.0002","35.2755","0.0008","17.6562","0.0004","90","","106.167","0.009","90","","5967.5","0.4","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C68 H54 Co4 O8 P4 -","- C68 H54 Co4 O8 P4 -","- C272 H216 Co16 O32 P16 -","4","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71073","MoKα","","0.0595","0.0458","","0.271","0.0997","","","","1.131","1.148","1.148","","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050262","9.875","0.002","17.863","0.004","13.393","0.003","90","","106.64","0.03","90","","2263.4","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","C24 H16 Cl4 Cu2 N4","","","- C24 H16 Cl4 Cu2 N4 O0 -","- C24 H16 Cl4 Cu2 N4 -","- C96 H64 Cl16 Cu8 N16 -","4","1","","Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang","Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0344","0.0261","","","0.0457","0.047","","","","","","0.92","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050276","29.0122","0.0009","12.1985","0.0004","16.5499","0.0006","90","","104.885","0.0008","90","","5660.6","0.3","200","","200","","","","","","","","","5","C 1 c 1","C -2yc","9","(Cd(IIMB)4(H2O)2)(NO3)2-5(H2O)","[Cd(IIMB)4(H2O)2](NO3)2-5(H2O)","","- C52 H62 Cd N18 O13 -","- C52 H48 Cd N18 O13 -","- C208 H192 Cd4 N72 O52 -","4","1","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu","Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.0852","0.0487","","","0.1124","0.1206","","","","","","0.855","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050303","19.065","0.002","14.725","0.002","8.583","0.001","90","","114.8","0.02","90","","2187.3","0.6","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3,3',5,5'-tetramethyl-4,4'-bipyrazole 1:2 adduct with phenol","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C88 H104 N16 O8 -","4","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0481","0.0426","","","0.1196","0.1258","","","","","","1.036","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050482","8.4986","0.0006","22.694","0.002","16.2467","0.0011","90","","105.137","0.004","90","","3024.7","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H30 As2 Mg O6 -","- C32 H30 As2 Mg O6 -","- C128 H120 As8 Mg4 O24 -","4","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","","","","","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050741","27.637","0.006","4.273","0.0009","18.839","0.004","90","","125.52","0.03","90","","1810.7","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H8 Ag N2 O6 S8 -","- C10 H8 Ag N2 O6 S8 -","- C40 H32 Ag4 N8 O24 S32 -","4","1","","Jia, Chunyang; Liu, Cai-Ming; Xu, Wei; Zhang, Deqing; Zhu, Daoben; Huaiming Hu","Novel silver (I) complexes derived from tetrakis(methylthio)- tetrathiafulvalene and bis(ethylenedithio)tetrathiafulvalene with 3D and 1D structures","New Journal of Chemistry","2002","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180061","2020-10-21","18:00:00",""
"7050981","10.761","0.003","36.62","0.01","7.511","0.009","90","","116.186","0.006","90","","2656","3","293.2","","293.2","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C26 H22 Cl Cu N6 O2 S2 -","- C26 H22 Cl Cu N6 O2 S2 -","- C104 H88 Cl4 Cu4 N24 O8 S8 -","4","1","","Li, Gang; Che, De-Ji; Li, Zi-Feng; Zhu, Yu; Zou, Da-Peng","Versatile coordination patterns in the reaction system of N-benzoyl-N???-(2-pyridyl)thiourea with CuCl2. Their reaction conditions, systematic isolation and crystal structures","New Journal of Chemistry","2002","26","11","1629","","10.1039/b206257g","","","0.7107","MoKα","","0.0559","","","0.0503","","","","","1.05","1.04","1.04","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051145","10.8557","0.0003","55.1676","0.0018","15.8584","0.0004","90","","90.312","0.0012","90","","9497.2","0.5","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C99 H88 Ag4 F12 O13 S4 -","- C99 H88 Ag4 F12 O13 S4 -","- C396 H352 Ag16 F48 O52 S16 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0691","0.0618","","","0.1559","0.1617","","","","","","1.027","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051165","10.829","0.002","22.4","0.004","10.007","0.002","90","","98.22","0.03","90","","2402.5","0.8","130","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H21 N O5 P2 S -","- C24 H21 N O5 P2 S -","- C96 H84 N4 O20 P8 S4 -","4","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0441","0.0332","","","0.0853","0.089","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051235","17.7939","0.0009","14.3421","0.0009","11.9338","0.0005","90","","129.008","0.002","90","","2366.6","0.2","173","0.2","173","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H28 Cl N3 O10 -","- C22 H28 Cl N3 O10 -","- C88 H112 Cl4 N12 O40 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","","","","","","","","","","","","","","","","","","","has coordinates","210947","2020-10-21","18:00:00",""
"7051236","17.84","0.001","14.251","0.001","12.3267","0.0006","90","","129.535","0.003","90","","2417","0.2","173","0.2","173","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H28 Cl N O10 S -","- C23 H28 Cl N O10 S -","- C92 H112 Cl4 N4 O40 S4 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210947","2020-10-21","18:00:00",""
"7051403","27.07","0.002","5.2154","0.0004","17.9202","0.0015","90","","130.256","0.001","90","","1930.8","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H14 N3 O16 P4 Zn5 -","- C4 H14 N3 O16 P4 Zn5 -","- C16 H56 N12 O64 P16 Zn20 -","4","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a809030k","","","","","","","0.0389","","","0.0901","","","","","","","","","","","has coordinates","180068","2020-10-21","18:00:00",""
"7051523","42.544","0.0018","9.087","0.0004","12.373","0.0005","90","","98.755","0.0019","90","","4727.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H56 N4 Ni O14 P2 -","- C46 H56 N4 Ni O14 P2 -","- C184 H224 N16 Ni4 O56 P8 -","4","1","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051524","42.599","0.008","9.0906","0.0018","12.432","0.002","90","","98.762","0.004","90","","4758.1","1.6","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H56 N4 Ni O14 P2 -","- C46 H56 N4 Ni O14 P2 -","- C184 H224 N16 Ni4 O56 P8 -","4","1","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051700","5.3123","0.0008","23.048","0.003","9.1244","0.0014","90","","103.276","0.013","90","","1087.3","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H14 N4 O2 -","- C10 H14 N4 O2 -","- C40 H56 N16 O8 -","4","1","","Oms, Olivier; Norel, Lucie; Chamoreau, Lise-Marie; Rousselière, Hélène; Train, Cyrille","Conformation and crystal packing sensitivity to substitution of thioxo- and oxo-tetrazane derivatives","New Journal of Chemistry","2009","33","8","1663","","10.1039/b902225b","","","0.71073","MoKα","","0.0871","0.0459","","","0.0932","0.1086","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051715","13.576","0.0018","20.7486","0.0018","17.305","0.003","90","","98.192","0.002","90","","4824.8","1.1","566","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H46 Fe2 N2 O9 P2 S3 -","- C46 H46 Fe2 N2 O9 P2 S3 -","- C184 H184 Fe8 N8 O36 P8 S12 -","4","1","","Wang, Yanwei; Li, Zhimei; Zeng, Xianghua; Wang, Xiufeng; Zhan, Caixia; Liu, Yinqiu; Zeng, Xirui; Luo, Qiuyan; Liu, Xiaoming","Synthesis and characterisation of three diiron tetracarbonyl complexes related to the diiron centre of [FeFe]-hydrogenase and their protonating, electrochemical investigations","New Journal of Chemistry","2009","33","8","1780","","10.1039/b903758f","","","0.71073","MoKα","","0.1194","0.0644","","","0.1471","0.1609","","","","","","0.995","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051740","14.654","0.004","19.038","0.005","19.859","0.007","90","","97.99","0.008","90","","5487","3","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H48 N9 Nd O14 Zn2 -","- C54 H48 N9 Nd O14 Zn2 -","- C216 H192 N36 Nd4 O56 Zn8 -","4","1","","Bi, Weiyu; Wei, Tao; Lü, Xingqiang; Hui, Yani; Song, Jirong; Zhao, Shunsheng; Wong, Wai-Kwok; Jones, Richard A.","Hetero-trinuclear near-infrared (NIR) luminescent Zn2Ln complexes from Salen-type Schiff-base ligands","New Journal of Chemistry","2009","33","11","2326","","10.1039/b9nj00228f","","","0.71073","MoKα","","0.062","0.0383","","","0.0807","0.0876","","","","","","0.874","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051799","11.8755","0.0007","11.3829","0.0006","15.7149","0.0009","90","","108.787","0.001","90","","2011.1","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H26 O3 S2 -","- C21 H26 O3 S2 -","- C84 H104 O12 S8 -","4","1","","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","","0.044","0.0383","","","0.1235","0.1466","","","","","","1.111","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052051","9.432","0.001","27.584","0.002","9.901","0.001","90","","114.26","0.01","90","","2348.5","0.4","208","2","208","2","","","","","","","","3","C 1 c 1","C -2yc","9","Cryptant-S6-Me2","Cryptant-S6-Me2","","- C19 H36 S6 -","- C19 H36 S6 -","- C76 H144 S24 -","4","1","","Alberto, Roger; Angst, Daniela; Ortner, Kirstin; Abram, Ulrich; Schubiger, P. August; Kaden, Thomas A.","Syntheses of a series of S6 thioether cages and their coordination chemistry with Ag+","New Journal of Chemistry","2007","31","3","409","","10.1039/b606510b","","","1.54184","CuKα","","0.0957","0.0754","","","0.1989","0.2235","","","","","","0.931","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052074","11.159","0.003","11.116","0.002","29.383","0.007","90","","94.473","0.018","90","","3633.7","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1,3-Dihydro-1,3-dihydroxy-4-bromo-2,1-benzoxaborole monohydrate","","- C7 H8 B Br O4 -","- C7 H6 B Br O4 -","- C112 H96 B16 Br16 O64 -","16","4","","Sergiusz Luliński; Izabela Madura; Janusz Serwatowski; Halina Szatyłowicz; Janusz Zachara","A tautomeric equilibrium between functionalized 2-formylphenylboronic acids and corresponding 1,3-dihydro-1,3-dihydroxybenzo[c][2,1]oxaboroles","New Journal of Chemistry","2007","31","1","144","","10.1039/b611195e","","","0.71073","MoKα","","0.0809","0.0593","","","0.1481","0.1617","","","","","","1.04","","","","has coordinates,has disorder","180074","2020-10-21","18:00:00",""
"7052237","6.853","0.003","25.898","0.003","37.211","0.003","90","0.03","95.29","0.03","90","0.03","6576","3","183","2","183","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C42 H48 -","- C42 H48 -","- C336 H384 -","8","2","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","1.5418","CuKα","","0.0955","0.0696","","0.2077","0.1852","","","","1.079","1.089","1.089","","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052253","16.6833","0.0002","16.9265","0.0002","20.0193","0.0002","90","","106.219","0.001","90","","5428.25","0.11","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C60 H48 La2 N18 -","- C60 H48 La2 N18 -","- C240 H192 La8 N72 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G.","A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes","New Journal of Chemistry","2006","30","4","592","","10.1039/b600868b","","","0.71073","MoKα","","0.0433","0.0279","","","0.0597","0.0665","","","","","","1.039","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052306","17.7038","0.0018","9.5956","0.001","17.7697","0.0018","90","","106.53","0.002","90","","2893.9","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H44 N4 O4 P2 -","- C22 H44 N4 O4 P2 -","- C88 H176 N16 O16 P8 -","4","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0697","0.0647","","","0.1817","0.188","","","","","","1.053","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052513","17.802","0.004","14.255","0.004","12.199","0.003","90","","129.34","0.01","90","","2394.2","1.1","173","0.1","173","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H29 Cl N2 O10 -","- C23 H29 Cl N2 O10 -","- C92 H116 Cl4 N8 O40 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","0.71073","MoKα","","0.0582","0.042","","","0.115","0.1208","","","","","","1.182","","","","has coordinates","210947","2020-10-21","18:00:00",""
"7052514","17.804","0.001","14.131","0.001","12.317","0.001","90","","129.003","0.003","90","","2408.1","0.3","173","0.1","173","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H29 Cl N2 O10 -","- C23 H29 Cl N2 O10 -","- C92 H116 Cl4 N8 O40 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","0.71073","MoKα","","0.1318","0.0887","","","0.2289","0.2535","","","","","","1.124","","","","has coordinates","210947","2020-10-21","18:00:00",""
"7052689","15.725","0.007","14.103","0.006","14.188","0.006","90","","115.484","0.006","90","","2840","2","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C120 H60 I12 O36 -","12","3","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.0223","0.0219","","","0.0568","0.057","","","","","","1.031","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052690","37.766","0.006","4.9473","0.0008","15.836","0.003","90","","106.025","0.002","90","","2843.8","0.8","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C120 H60 I12 O36 -","12","3","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.0454","0.0421","","","0.097","0.0993","","","","","","1.08","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052729","17.346","0.004","42.44","0.009","12.596","0.003","90","","133.24","0.03","90","","6755","4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H62 Cl18 Fe2 N4 Se4 Zn2 -","- C42 H62 Cl18 Fe2 N4 Se4 Zn2 -","- C168 H248 Cl72 Fe8 N16 Se16 Zn8 -","4","1","","Ahmar, Siawash; Nitschke, Christian; Vijayaratnam, Niranjan; MacDonald, Daniel G.; Fenske, Dieter; Corrigan, John F.","A ferrocenylmethylselenolate complex of Ag(i): preparation of the polyferrocenyl cluster [Ag8(SeCH2Fc)8(PPh3)4] from the new silylated reagent FcCH2SeSiMe3","New Journal of Chemistry","2011","35","10","2013","","10.1039/c1nj20183b","","","0.71073","MoKα","","0.0495","0.0414","","","0.1058","0.1312","","","","","","1.148","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052795","8.9966","0.0011","24.702","0.003","17.481","0.002","90","","101.553","0.01","90","","3806.2","0.8","210","2","210","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(methyltriphenylphosphonium)tetrabromocuprate(II)","","- C38 H36 Br4 Cu P2 -","- C38 H36 Br4 Cu P2 -","- C152 H144 Br16 Cu4 P8 -","4","1","","Farra, Ramzi; Thiel, Kerstin; Winter, Alette; Klamroth, Tillmann; Pöppl, Andreas; Kelling, Alexandra; Schilde, Uwe; Taubert, Andreas; Strauch, Peter","Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii)","New Journal of Chemistry","2011","35","12","2793","","10.1039/c1nj20271e","","","0.71073","MoKα","","0.0705","0.0527","","","0.1301","0.1408","","","","","","0.993","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052836","6.0755","0.0019","15.089","0.005","14.771","0.004","90","","90.949","0.005","90","","1353.9","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H11 N5 O7 -","- C11 H11 N5 O7 -","- C44 H44 N20 O28 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.023","0.0228","","","0.059","0.0593","","","","","","1.104","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052860","15.6488","0.0011","13.2247","0.0011","7.1603","0.0005","90","","99.624","0.002","90","","1460.97","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H13 Cl2 N3 Pt -","- C14 H13 Cl2 N3 Pt -","- C56 H52 Cl8 N12 Pt4 -","4","1","","Adhikary, Sirsendu Das; Bose, Dipayan; Mitra, Partha; Saha, Krishna Das; Bertolasi, Valerio; Dinda, Joydev","Au(i)- and Pt(ii)-N-heterocyclic carbene complexes with picoline functionalized benzimidazolin-2-ylidene ligands; synthesis, structures, electrochemistry and cytotoxicity studies","New Journal of Chemistry","2012","36","3","759","","10.1039/c2nj20928d","","","0.71073","MoKα","","0.0371","0.028","","","0.0502","0.054","","","","","","0.884","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052983","24.8539","0.0006","13.987","0.0003","28.8206","0.0006","90","","104.791","0.001","90","","9687","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C95 H105 F9 N15 O13 S3 Yb -","- C90 H93 F9 N15 O12 S3 Yb -","- C360 H372 F36 N60 O48 S12 Yb4 -","4","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","1.54178","CuKα","","0.0296","0.0284","","","0.0679","0.0685","","","","","","1.055","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7053010","18.3586","0.0005","8.6988","0.0002","8.3214","0.0002","90","","98.203","0.002","90","","1315.31","0.06","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin","Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics","New Journal of Chemistry","2013","37","3","601","","10.1039/c2nj40772h","","","0.71073","MoKα","","0.0459","0.0324","","","0.0815","0.0902","","","","","","1.026","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053638","6.948","0.003","20.546","0.006","7.362","0.003","90","","93.56","0.03","90","","1048.9","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","(4-nitrophenyl)(4H-1,2,4-triazole-4-ylamino)methanol","(4-nitrophenyl)(4H-1,2,4-triazole-4-ylamino)methanol","","- C9 H9 N5 O3 -","- C9 H9 N5 O3 -","- C36 H36 N20 O12 -","4","1","","Barys, Maciej; Ciunik, Zbigniew; Drabent, Krzysztof; Kwiecień, Anna","Stable hemiaminals containing a triazole ring","New Journal of Chemistry","2010","34","11","2605","","10.1039/c0nj00346h","","","0.71073","MoKα","","0.0361","0.0328","","","0.0851","0.087","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053741","9.7224","0.0012","10.7874","0.0014","16.19","0.002","90","","103.573","0.002","90","","1650.6","0.4","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-Ethyl-4-cyanopyridinium bis{(trifluoromethyl)sulfonyl}amide","","- C10 H10 F6 N3 O4 S2 -","- C10 H9 F6 N3 O4 S2 -","- C40 H36 F24 N12 O16 S8 -","4","1","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.7749","synchrotronradiation","","0.1203","0.1118","","","0.3035","0.3166","","","","","","1.275","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053834","31.721","0.019","8.715","0.005","9.919","0.006","90","","106.486","0.007","90","","2629","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","N-diisopropoxyphosphinyl-N'-(benzo-15-crown-5)-4'-yl-thiourea","N-diisopropoxyphosphinyl-N'-(benzo-15-crown-5)-4'-yl-thiourea","","- C21 H35 N2 O8 P S -","- C21 H35 N2 O8 P S -","- C84 H140 N8 O32 P4 S4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Klein, Axel; Sokolov, Felix D.; Baranov, Sergey V.; Pape, Tania; Hahn, F. Ekkehardt; Krivolapov, Dmitriy B.","The influence of an intramolecular hydrogen bond on the 1,3-N,S-coordination of crown ether-containing N-phosphorylthiourea with NiII","New Journal of Chemistry","2009","33","12","2443","","10.1039/b9nj00252a","","x-ray","0.71073","MoKα","","0.0881","0.0667","","","0.1737","0.1885","","","","","","1.228","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053984","26.882","0.016","6.802","0.003","7.981","0.007","90","","103.38","0.03","90","","1419.7","1.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","[CuCl2(1-Htza)2].H2O","","","- C6 H10 Cl2 Cu N8 O5 -","- C6 H10 Cl2 Cu N8 O5 -","- C24 H40 Cl8 Cu4 N32 O20 -","4","1","","Chen, Jun; Wang, Shuai-Hua; Liu, Zhi-Fa; Wu, Mei-Feng; Xiao, Yu; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Anion-directed self-assembly of Cu(ii) coordination compounds with tetrazole-1-acetic acid: syntheses in ionic liquids and crystal structures","New Journal of Chemistry","2014","38","1","269","","10.1039/c3nj01198d","","","0.71073","MoKα","","0.0356","0.0334","","","0.0845","0.0864","","","","","","1.01","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7054701","7.6771","0.001","17.9229","0.001","11.3182","0.0012","90","","98.385","0.014","90","","1540.7","0.3","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 Be N2 O2 -","- C18 H18 Be N2 O2 -","- C72 H72 Be4 N8 O8 -","4","1","","Reglinski, John; Kennedy, Alan R.; Steel, Graham","Tetradentate Schiff base beryllium complexes","New J. Chem.","2015","39","4","2437","","10.1039/C4NJ01949K","","","0.71073","MoKα","","0.0603","0.0445","","","0.0847","0.0931","","","","","","1.039","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054760","9.59","0.01","31.06","0.02","12.91","0.02","90","","97.82","0.03","90","","3810","8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H30 Fe N6 O P S5 -","- C34 H30 Fe N6 O P S5 -","- C136 H120 Fe4 N24 O4 P4 S20 -","4","1","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.1011","0.0563","","","0.1305","0.147","","","","","","1.007","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054838","5.592","0.002","18.904","0.007","15.882","0.005","90","","92.487","0.011","90","","1677.3","1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-tert-butyl-7-trifluoromethyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C18 H17 F3 N3 -","- C18 H17 F3 N3 -","- C72 H68 F12 N12 -","4","1","","Takahashi, Yusuke; Miura, Youhei; Yoshioka, Naoki","Synthesis and properties of the 3-tert-butyl-7-trifluoromethyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl radical","New J. Chem.","2015","39","6","4783","","10.1039/C5NJ00393H","","","0.71073","MoKα","","0.1132","0.0662","","","0.1736","0.2069","","","","","","1.06","","","","has coordinates,has disorder","138791","2020-10-21","18:00:00",""
"7054869","12.9357","0.0016","19.6992","0.0007","7.3342","0.0009","90","","139.81","0.03","90","","1206.1","0.8","291","2","291.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","1","","Zhang, Hui-Zhen; Jeyakkumar, Ponmani; Vijaya Kumar, Kannekanti; Zhou, Cheng-He","Synthesis of novel sulfonamide azoles via C‒N cleavage of sulfonamides by azole ring and relational antimicrobial study","New J. Chem.","2015","39","7","5776","","10.1039/C4NJ01932F","","","1.54184","CuKα","","0.0425","0.0398","","","0.1014","0.106","","","","","","1.044","","","","has coordinates","143720","2020-10-21","18:00:00",""
"7054969","25.04","0.003","10.6891","0.001","20.951","0.002","90","","103.216","0.002","90","","5459.1","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H86 N4 O2 Si4 Y2 -","- C40 H86 N4 O2 Si4 Y2 -","- C160 H344 N16 O8 Si16 Y8 -","4","1","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.0946","0.0552","","","0.0926","0.1045","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054973","37.484","0.0011","7.0935","0.0002","6.2089","0.0002","90","","97.497","0.002","90","","1636.79","0.09","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H13 Br N3 O -","- C19 H13 Br N3 O -","- C76 H52 Br4 N12 O4 -","4","1","","İkiz, Mesut; İspir, Esin; Aytar, Emine; Ulusoy, Mahmut; Karabuğa, Şemistan; Aslantaş, Mehmet; Çelik, Ömer","Chemical fixation of CO2into cyclic carbonates by azo-containing Schiff base metal complexes","New J. Chem.","2015","39","10","7786","","10.1039/C5NJ00571J","","","0.71073","MoKα","","0.0334","0.0289","","","0.0626","0.0643","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055003","19.5741","0.0006","15.1598","0.0005","15.981","0.0007","90","","97.571","0.004","90","","4700.9","0.3","291","2","291.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H32 I9 N3 O Pb3 -","- C27 H30 I9 N3 O Pb3 -","- C108 H120 I36 N12 O4 Pb12 -","4","1","","Wang, Chao-Hai; Du, Hai-Juan; Li, Yao; Niu, Yun-Yin; Hou, Hong-Wei","Crystal structures and photocatalytic properties of two novel iodoplumbate hybrids templated by multivalent organic cations","New J. Chem.","2015","39","9","7372","","10.1039/C5NJ01240F","","","0.71073","MoKα","","0.0623","0.0427","","","0.0786","0.0876","","","","","","0.998","","","","has coordinates","155221","2020-10-21","18:00:00",""
"7055055","21.577","0.003","9.4531","0.0012","15.866","0.002","90","","114.88","0.002","90","","2935.8","0.7","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H24 Dy N7 Ni O15 -","- C22 H24 Dy N7 Ni O15 -","- C88 H96 Dy4 N28 Ni4 O60 -","4","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.016","0.0153","","","0.0354","0.0357","","","","","","0.874","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055421","7.156","0.003","7.072","0.003","23.277","0.009","90","","91.651","0.006","90","","1177.5","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0423","0.0381","","","0.0944","0.0959","","","","","","1.042","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055514","15.831","0.004","7.0572","0.0007","11.133","0.003","90","","132.07","0.04","90","","923.3","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(3,5-Dinitro-1,2,4-triazol-1-yl)-2-nitrazapropane","","- C4 H5 N7 O6 -","- C4 H5 N7 O6 -","- C16 H20 N28 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71069","MoKα","","0.0472","0.0306","","","0.0515","0.0547","","","","","","0.895","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055515","5.7787","0.0008","20.764","0.003","7.719","0.0011","90","","92.393","0.012","90","","925.4","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(4,5-dinitroimidazol-1-yl)-2-nitrazapropane","","- C5 H6 N6 O6 -","- C5 H6 N6 O6 -","- C20 H24 N24 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71069","MoKα","","0.0653","0.0388","","","0.0782","0.0834","","","","","","0.861","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055620","10.2398","0.0004","20.6747","0.0007","15.2449","0.0005","90","","92.096","0.003","90","","3225.3","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H26 N7 Ni O15 Tb -","- C28 H26 N7 Ni O15 Tb -","- C112 H104 N28 Ni4 O60 Tb4 -","4","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","1.54184","CuKα","","0.0419","0.041","","","0.1026","0.1038","","","","","","1.078","","","","has coordinates,has disorder","185618","2020-10-21","18:00:00",""
"7055873","34.8268","0.0012","9.1327","0.0003","24.1978","0.0009","90","","107.572","0.001","90","","7337.3","0.4","194","2","194","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H46 N6 Si2 Zr -","- C36 H46 N6 Si2 Zr -","- C288 H368 N48 Si16 Zr8 -","8","2","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.0673","0.0467","","","0.0994","0.1088","","","","","","1.023","","","","has coordinates","191697","2020-10-21","18:00:00",""
"7056006","17.7697","0.001","10.7634","0.0007","11.4808","0.0006","90","","103.834","0.006","90","","2132.1","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H18 Cu N4 O2 -","- C26 H18 Cu N4 O2 -","- C104 H72 Cu4 N16 O8 -","4","1","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0894","0.0633","","","0.1051","0.1139","","","","","","1.05","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056087","15.885","0.005","14.941","0.005","16.117","0.005","90","","110.875","0.005","90","","3574","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C86 H64 Cu4 N10 O19 -","- C80 H48 Cu4 N8 O17 -","- C160 H96 Cu8 N16 O34 -","2","0.5","","Yang, Liu; Li, Xiao; Sun, Chun-Yi; Wu, Han; Wang, Chun-Gang; Su, Zhong-Min","A stable pillared-layer Cu(ii) metal‒organic framework with magnetic properties for dye adsorption and separation","New J. Chem.","2017","41","9","3661","","10.1039/C7NJ00389G","","","0.71069","MoKα","","0.0956","0.0563","","","0.119","0.1355","","","","","","0.998","","","","has coordinates","196493","2020-10-21","18:00:00",""
"7056147","25.448","0.015","15.151","0.008","11.157","0.007","90","","108.613","0.01","90","","4077","4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H35 N5 O10 Zn2 -","- C48 H35 N5 O10 Zn2 -","- C192 H140 N20 O40 Zn8 -","4","1","","Lu, Lu; Wang, Jun; Xie, Bin; Liu, Jian-Qiang; Yadav, Reena; Singh, Amita; Kumar, Abhinav","Fluorescence sensing of nitro-aromatics by Zn(ii) and Cd(ii) based coordination polymers having the 5-[bis(4-carboxybenzyl)-amino]isophthalic acid ligand","New J. Chem.","2017","41","9","3537","","10.1039/C7NJ00183E","","","0.71073","MoKα","","0.0668","0.0455","","","0.096","0.1235","","","","","","1.013","","","","has coordinates","196250","2020-10-21","18:00:00",""
"7056224","19.468","0.002","12.1352","0.0013","11.6945","0.0011","90","","92.665","0.004","90","","2759.8","0.5","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48 H16 N16 O40 -","- C48 H16 N16 O40 -","- C96 H32 N32 O80 -","2","0.5","","Zhang, Cheng Xing; Cheng, Guangbin; xiong, hualin; yang, hongwei","14,16,34,36,54,56,74,76-octanitro-2,4,6,8-tetraoxa-1,3,5,7(1,3) -tetrabenzenacyclooctaphane and its derivatives: Thermally Stable Explosive with Outstanding Properties","New J. Chem.","2017","","","","","10.1039/C7NJ01057E","","","0.71073","MoKα","","0.1093","0.0621","","","0.1183","0.1416","","","","","","1.06","","","","has coordinates,has disorder","196932","2020-10-21","18:00:00",""
"7056238","13.5037","0.0006","16.8086","0.0006","6.7657","0.0003","90","","119.501","0.004","90","","1336.56","0.11","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H14 Cl Cu N5 O -","- C11 H14 Cl Cu N5 O -","- C44 H56 Cl4 Cu4 N20 O4 -","4","1","","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","","0.0333","0.0294","","","0.0615","0.0629","","","","","","1.038","","","","has coordinates","196995","2020-10-21","18:00:00",""
"7056327","19.5807","0.0005","24.4918","0.0006","14.4619","0.0004","90","","117.886","0.001","90","","6130.1","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C92 H61 Co6 N48 O20 S10 -","- C92 H61 Co6 N48 O20 S10 -","- C184 H122 Co12 N96 O40 S20 -","2","0.5","","Rabelo, Renato; Valdo, Ana Karoline Silva Medanha; Robertson, Craig C.; Thomas, Jim; Stumpf, Humberto Osório; Martins, Felipe Terra; Pedroso, Emerson F.; Julve, Miguel; Lloret, Francesc; Cangussu, Danielle","Metal(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt): synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4 . dmso . H2O, [Co(bpcam)2]2[Co(NCS)4] . dmso . H2O and [Ni(bpcam)2] . H2O [Hbpcam = bis(2-pyrimidylcarbonyl)amide]","New J. Chem.","2017","","","","","10.1039/C7NJ00526A","","","0.71073","MoKα","","0.0512","0.0422","","","0.1287","0.144","","","","","","0.677","","","","has coordinates","197796","2020-10-21","18:00:00",""
"7056367","28.1411","0.001","9.5372","0.0003","13.4951","0.0005","90","","116.104","0.001","90","","3252.5","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H15 N5 O6 Ru -","- C12 H15 N5 O6 Ru -","- C96 H120 N40 O48 Ru8 -","8","2","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","","","","","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0263","0.0253","","","0.0647","0.0652","","","","","","1.037","","","","has coordinates","198112","2020-10-21","18:00:00",""
"7056831","8.5148","0.0005","23.9553","0.0015","15.3322","0.0009","90","","104.954","0.006","90","","3021.5","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H37 Cl N3 Rh -","- C32 H37 Cl N3 Rh -","- C128 H148 Cl4 N12 Rh4 -","4","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0281","0.0258","","","0.0603","0.0615","","","","","","1.1","","","","has coordinates,has disorder","230567","2020-10-21","18:00:00",""
"7056845","9.386","0.0016","3.5384","0.0006","12.154","0.002","90","","109.139","0.006","90","","381.34","0.11","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","3-amino-1,2,4-oxadiazol-5-one","amino oxadiazolone","","- C2 H3 N3 O2 -","- C2 H3 N3 O2 -","- C8 H12 N12 O8 -","4","1","","Kumar, A. Sudheer; Sasidharan, Nimesh; Ganguly, Rakesh; Leow, Dasheng; Hng, Huey Hoon","3-Amino-1,2,4(4H)-oxadiazol-5-one (AOD) and its nitrogen-rich salts: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","3","1840","","10.1039/C7NJ03950F","","","0.71073","MoKα","","0.0417","0.0388","","","0.0862","0.0875","","","","","","1.113","","","","has coordinates","230573","2020-10-21","18:00:00",""
"7057017","30.7828","0.0017","5.6317","0.0003","20.8991","0.0012","90","","100.075","0.002","90","","3567.2","0.3","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H38 Br2 Cu N12 O9 -","- C24 H36 Br2 Cu N12 O9 -","- C96 H144 Br8 Cu4 N48 O36 -","4","1","","Berezin, A. S.; Ivanova, A. D.; Komarov, V. Yu.; Nadolinny, V. A.; Lavrenova, L. G.","Influence of water on the structure and magnetic properties of a copper bromide coordination compound with 3-amino-4-ethoxycarbonylpyrazole","New Journal of Chemistry","2018","42","7","4902","","10.1039/C8NJ00017D","","","0.71073","MoKα","","0.0497","0.0331","","","0.0754","0.0816","","","","","","1.028","","","","has coordinates","230422","2020-10-21","18:00:00",""
"7057475","25.637","0.011","16.148","0.007","35.826","0.015","90","","97.719","0.006","90","","14697","11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C90 H98 Cd2 Cl8 N50 O36 -","- C90 H98 Cd2 Cl8 N50 O36 -","- C360 H392 Cd8 Cl32 N200 O144 -","4","1","","Bai, Dong; Gao, Zhongzheng; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Wei, Gang; Liu, Qingyun; Redshaw, Carl","A study of the interaction between inverted cucurbit[6]uril and symmetric viologens","New Journal of Chemistry","2018","42","13","11085","","10.1039/C8NJ01589A","","","0.71073","MoKα","","0.082","0.0528","","","0.1347","0.1513","","","","","","0.951","","","","has coordinates","230390","2020-10-21","18:00:00",""
"7057745","30.4611","0.0019","13.4798","0.0008","39.943","0.003","90","","104.246","0.003","90","","15896.6","1.8","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C90 H150 Cu10 Mo5 N70 -","- C90 H150 Cu10 Mo5 N70 -","- C360 H600 Cu40 Mo20 N280 -","4","1","","Korzeniak, Tomasz; Sasmal, Sujit; Pinkowicz, Dawid; Sieklucka, Barbara","The photomagnetic effect in 2-D cyanido-bridged coordination polymer [Cu(aepa)]10[Mo(CN)8]5·30H2O","New Journal of Chemistry","2018","42","20","17009","","10.1039/C8NJ02952K","","","0.71073","MoKα","","0.0592","0.0447","","","0.1049","0.1115","","","","","","1.015","","","","has coordinates,has disorder","230366","2020-10-21","18:00:00",""
"7058022","11.1017","0.0009","13.9227","0.001","8.2166","0.0008","90","","110.654","0.01","90","","1188.38","0.19","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3,3',5,5'-Tetranitro-4,4'-bipyrazole Hydrate","","- C6 H4 N8 O9 -","- C6 H4 N8 O9 -","- C24 H16 N32 O36 -","4","1","","Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg","Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials","New Journal of Chemistry","2018","","","","","10.1039/C8NJ05266B","","","0.71073","MoKα","","0.0244","0.0209","","","0.0493","0.0501","","","","","","0.936","","","","has coordinates","212424","2020-10-21","18:00:00",""
"7058060","28.5923","0.0018","9.0068","0.0002","19.4455","0.0012","90","","129.889","0.01","90","","3842.4","0.7","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H48 N4 P2 Pd S -","- C36 H48 N4 P2 Pd S -","- C144 H192 N16 P8 Pd4 S4 -","4","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0259","0.025","","","0.0646","0.0654","","","","","","1.083","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058200","8.029","0.002","21.258","0.005","11.349","0.003","90","","101.66","0.019","90","","1897.1","0.8","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","1","","Kar, Swayamsiddha; Shivalingegowda, Naveen; Krishnappagowda, Lokanath Neratur; Golakoti, Nageswara Rao","SiCl4 mediated one-pot synthesis of novel spirobibenzopyrans as potent anticancer agents","New Journal of Chemistry","2019","43","12","4669","","10.1039/C8NJ06444J","","","1.54178","CuKα","","0.0712","0.0588","","","0.1552","0.1659","","","","","","1.049","","","","has coordinates,has disorder","225000","2020-10-21","18:00:00",""
"7058351","5.0217","0.0011","27.895","0.006","15.205","0.003","90","","97.057","0.005","90","","2113.8","0.8","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H16 N12 O6 -","- C16 H16 N12 O6 -","- C64 H64 N48 O24 -","4","1","","Ma, Jinchao; Zhang, Guojie; Gu, Hao; Tang, Jie; Wang, Bohan; Yang, Hongwei; Cheng, Guangbin","Polynitro-1,2,4-triazole-functionalized azo-furazans as high-performance and insensitive energetic materials","New Journal of Chemistry","2019","43","21","8370","","10.1039/C9NJ01065C","","","0.71073","MoKα","","0.0895","0.0487","","","0.1008","0.1192","","","","","","1.009","","","","has coordinates,has disorder","224932","2020-10-21","18:00:00",""
"7058508","20.7093","0.0014","15.2374","0.0009","19.1923","0.0011","90","","97.834","0.003","90","","5999.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- N2 Na7 O67 V19 -","- N2 Na7 O67 V19 -","- N8 Na28 O268 V76 -","4","1","","Mulkapuri, Sateesh; Kurapati, Sathish Kumar; Mukhopadhyay, Subhabrata -; Das, Samar K.","A fully reduced {V18IVO42} host and VO43‒, Cl‒ as guest anions: synthesis, characterization and proton conductivity","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01918A","","","0.71073","MoKα","","0.0546","0.0512","","","0.1389","0.1414","","","","","","1.041","","","","has coordinates","216440","2020-10-21","18:00:00",""
"7059015","9.4516","0.0004","17.5281","0.0006","8.3971","0.0003","90","","118.831","0.001","90","","1218.7","0.08","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H13 Br O2 Se -","- C11 H13 Br O2 Se -","- C44 H52 Br4 O8 Se4 -","4","1","","Musalov, Maxim V.; Yakimov, Vladimir A.; Potapov, Vladimir A.; Amosova, Svetlana V.; Borodina, Tatiana; Zinchenko, Sergey V.","A novel methodology for the synthesis of condensed selenium heterocycles based on the annulation and annulation − methoxylation reactions of selenium dihalides","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04707G","","","0.71073","MoKα","","0.0516","0.0316","","","0.0791","0.0986","","","","","","1.159","","","","has coordinates","223443","2020-10-21","18:00:00",""
"7059247","12.3838","0.0017","13.0495","0.0013","8.3122","0.0009","90","","90.576","0.011","90","","1343.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","CuATSM","","- C8 H15 Cu N6 S2 -","- C8 H15 Cu N6 S2 -","- C32 H60 Cu4 N24 S8 -","4","1","","Jiang, Wen-Xing; Liu, Wei-Xia; Wang, Chun-Li; Zhan, Shu-Zhong; Wu, Song-Ping","A bis(thiosemicarbazonato)-copper complex, a new catalyst for electro- and photo-reduction of CO2 to methanol","New Journal of Chemistry","2020","44","7","2721","2726","10.1039/C9NJ05672F","","","0.71073","MoKα","","0.0603","0.0423","","","0.0616","0.0676","","","","","","0.992","","","","has coordinates","257816","2020-10-21","18:00:00",""
"7059477","25.009","0.002","9.6962","0.0004","17.1351","0.0017","90","","131.427","0.016","90","","3115.5","0.9","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H28 F6 N12 Ni O6 S2 -","- C20 H28 F6 N12 Ni O6 S2 -","- C80 H112 F24 N48 Ni4 O24 S8 -","4","1","","Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands","New Journal of Chemistry","2020","44","17","6979","6991","10.1039/D0NJ00704H","","","0.71073","MoKα","","0.0341","0.031","","","0.0684","0.071","","","","","","1.033","","","","has coordinates","257734","2020-10-21","18:00:00",""
"7059640","20.5473","0.0009","7.4108","0.0003","16.1324","0.0008","90","","117.615","0.002","90","","2176.67","0.17","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H15 Br5 Cu2 N3 P -","- C15 H15 Br5 Cu2 N3 P -","- C60 H60 Br20 Cu8 N12 P4 -","4","1","","Berezin, Alexey S.; Artem'ev, Alexander V.; Komarov, Vladislav Y.; Baranov, Andrey Y.","A copper(i) bromide organic‒inorganic zwitterionic coordination compound with a new type of core: structure, luminescence properties, and DFT calculations","New Journal of Chemistry","2020","44","23","9858","9862","10.1039/D0NJ01835J","","","0.71073","MoKα","","0.046","0.0356","","","0.0665","0.0698","","","","","","1.025","","","","has coordinates,has disorder","257858","2020-10-21","18:00:00",""
"7059829","33.6924","0.001","13.3613","0.0004","35.6078","0.0011","90","","114.305","0.001","90","","14609","0.8","180","","180","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48.67 H65.33 Cl1.33 O4 S2 -","- C48.6667 H65.3333 Cl1.33333 O4 S2 -","- C584 H784 Cl16 O48 S24 -","12","3","","Kortus, D.; Kundrát, O.; Tlustý, M.; Čejka, J.; Dvořáková, H.; Lhoták, P.","Inherent chirality through a simple dialkylation of 2,14-dithiacalix[4]arene","New Journal of Chemistry","2020","44","34","14496","14504","10.1039/D0NJ03468A","","","1.5418","CuKα","","0.0471","0.0443","","0.1223","0.12","0.1223","","","","","","0.9643","","","","has coordinates,has disorder","257886","2020-10-21","18:00:00",""
"7059880","8.3802","0.0001","22.2533","0.0003","19.4016","0.0003","90","","90.318","0.001","90","","3618.09","0.09","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H48 Fe P2 -","- C42 H48 Fe P2 -","- C168 H192 Fe4 P8 -","4","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.0532","0.045","","","0.1033","0.1103","","","","","","1.001","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7060114","14.1404","0.0011","35.42","0.003","13.8364","0.0011","90","","120.445","0.002","90","","5974.5","0.8","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C45 H67 Cl5 N2 O4 P2 Pt Se Sn5 -","- C45 H67 Cl5 N2 O4 P2 Pt Se Sn5 -","- C180 H268 Cl20 N8 O16 P8 Pt4 Se4 Sn20 -","4","1","","Chauhan, Rohit Singh; Singh, Saurabh Kumar; Tyagi, Adish; Golen, James A.; Rheingold, Arnold L.","A serendipitous isolation of cocrystallized platinum‒tin complexes: synthesis, structure and theoretical exploration","New Journal of Chemistry","2020","44","48","20945","20955","10.1039/D0NJ04639F","","","0.71073","MoKα","","0.0417","0.0353","","","0.072","0.0744","","","","","","1.033","","","","has coordinates","260807","2021-01-07","06:48:57",""
"7060167","16.8562","0.0008","18.0364","0.0008","11.8855","0.0005","90","","111.028","0.002","90","","3372.9","0.3","298.41","","298.41","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","2","","Lara-Cerón, Jesús A.; Jiménez-Pérez, Víctor M.; Molina-Paredes, Areli A.; Sánchez, Mario; Dias, H. V. Rasika; Ramírez-Montes, Pedro I.; Muñoz-Flores, Blanca M.","Preferential intermolecular interactions in a racemic mixture of amino acid Schiff base, conformational structures in solid state, and DFT studies","New Journal of Chemistry","2021","45","3","1727","1733","10.1039/D0NJ04720A","","","0.71073","MoKα","","0.0882","0.049","","","0.1027","0.1222","","","","","","1.048","","","","has coordinates","261747","2021-02-04","23:28:46",""
"7060199","5.9444","0.0001","17.4508","0.0002","7.4613","0.0001","90","","96.637","0.001","90","","768.807","0.019","100","2","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H5 B Li N3 O2 -","- C4 H5 B Li N3 O2 -","- C16 H20 B4 Li4 N12 O8 -","4","1","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.061","0.061","","","","","","1.062","","","","has coordinates","268877","2021-09-06","12:06:15",""
"7060320","14.6278","0.0017","13.3165","0.0015","14.9311","0.0017","90","","111.563","0.002","90","","2704.9","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 B N2 Sn -","- C31 H31 B N2 Sn -","- C124 H124 B4 N8 Sn4 -","4","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0416","0.0389","","","0.0904","0.0919","","","","","","1.037","","","","has coordinates","262671","2021-03-05","02:14:41",""
"7060333","9.119","0.015","26.21","0.04","9.776","0.016","90","","100.734","0.018","90","","2296","6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H21 Co F7 N2 -","- C21 H21 Co F7 N2 -","- C84 H84 Co4 F28 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0345","0.0329","","","0.0842","0.0856","","","","","","1.052","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060344","10.6953","0.0002","10.0575","0.0002","11.252","0.0002","90","","113.454","0.001","90","","1110.36","0.04","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.0316","0.0295","","","0.0739","0.0752","","","","","","1.039","","","","has coordinates","262696","2021-03-05","02:20:53",""
"7060460","17.878","0.002","17.576","0.002","7.5597","0.0008","90","","98.828","0.003","90","","2347.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H22 N3 Ni S7 -","- C16 H22 N3 Ni S7 -","- C64 H88 N12 Ni4 S28 -","4","1","","Chen, Xuan-Rong; Luo, Min; Zhang, Zhen-Min; Xu, Xiao-Yi; Jiang, Yi; Liu, Hang","Magnetism, dielectrics and ion conduction in two polymorphs of a heteroleptic bis(dithiolato)nickelate molecular solid","New Journal of Chemistry","2021","45","13","5971","5980","10.1039/D1NJ00491C","","","0.71073","MoKα","","0.0884","0.0543","","","0.1214","0.136","","","","","","1.044","","","","has coordinates","264921","2021-05-05","08:54:54",""
"7060469","3.8236","0.0001","26.8722","0.0005","13.2409","0.0002","90","","93.319","0.002","90","","1358.2","0.05","120","0.1","120","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 Br N2 O5 -","- C14 H9 Br N2 O5 -","- C56 H36 Br4 N8 O20 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0821","0.0826","","","","","","1.05","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060538","12.254","0.003","42.772","0.013","7.706","0.0019","90","","121.915","0.019","90","","3428.4","1.7","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H22 N5 O5 P3 -","- C33 H22 N5 O5 P3 -","- C132 H88 N20 O20 P12 -","4","1","","Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap","ESIPT on/off switching and crystallization-enhanced emission properties of new design phenol-pyrazole modified cyclotriphosphazenes","New Journal of Chemistry","2021","45","19","8492","8505","10.1039/D1NJ00894C","","","0.71073","MoKα","","0.1953","0.0647","","","0.1138","0.1539","","","","","","0.886","","","","has coordinates","266132","2021-06-05","19:19:40",""
"7060602","12.6514","0.0015","5.2884","0.0006","7.4471","0.0008","90","","92.903","0.004","90","","497.61","0.1","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H2 N6 O -","- C3 H2 N6 O -","- C12 H8 N24 O4 -","4","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.0247","0.0244","","","0.0639","0.0641","","","","","","1.066","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060603","4.0295","0.0011","12.201","0.003","14.678","0.004","90","","91.823","0.01","90","","721.3","0.3","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H7 N7 O2 -","- C3 H7 N7 O2 -","- C12 H28 N28 O8 -","4","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.068","0.0622","","","0.1545","0.1592","","","","","","1.083","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7061169","12.381","0.0007","13.9962","0.0008","11.9361","0.0007","90","","121.228","0.0019","90","","1768.7","0.18","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H28 N2 Ni O Si -","- C15 H28 N2 Ni O Si -","- C60 H112 N8 Ni4 O4 Si4 -","4","1","","Cloutier, Jean-Philippe; Zamani, Fahimeh; Zargarian, Davit","Aerobic oxidation-functionalization of the aryl moiety in van Koten's pincer complex (NCN)Ni(ii)Br: relevance to carbon–heteroatom coupling reactions promoted by high-valent nickel species","New Journal of Chemistry","2022","46","4","1800","1807","10.1039/D1NJ05162H","","x-ray","1.34139","GaKα","","0.0612","0.0605","","","0.1633","0.1644","","","","","","1.028","","","","has coordinates","272721","2022-02-04","19:54:35",""
"7061267","5.5708","0.0002","12.9751","0.0004","7.3754","0.0002","90","","96.45","0.003","90","","529.73","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cu H6 O7 S -","- Cu H6 O7 S -","- Cu4 H24 O28 S4 -","4","1","","Ibrahim, Mukaila A.; Boeré, René T.","The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors","New Journal of Chemistry","2022","46","12","5479","5488","10.1039/D2NJ00169A","","x-ray","0.71073","MoKα","","0.0194","0.0188","","","0.0424","0.0429","","","","","","1.0125","","","","has coordinates","275047","2022-05-05","20:50:34",""
"7061389","9.2381","0.0002","15.2301","0.0004","15.722","0.0004","90","","106.586","0.003","90","","2120","0.1","173","0.1","173","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C14 H27 Cl Co F4 N P3 -","- C14 H27 Cl Co F4 N P3 -","- C56 H108 Cl4 Co4 F16 N4 P12 -","4","1","","Huang, Wei; Lu, Jiahui; Fan, Qingqing; Li, Xiaoyan; Hinz, Alexander; Sun, Hongjian","Synthesis of aryl cobalt and iron complexes and their catalytic activity on hydrosilylation of alkenes","New Journal of Chemistry","2022","46","16","7512","7521","10.1039/D1NJ06133J","","","1.54184","CuKα","","0.0322","0.0308","","","0.0753","0.076","","","","","","1.029","","","","has coordinates,has disorder","275016","2022-05-05","20:43:48",""
"7061415","14.751","0.003","25.89","0.006","19.146","0.003","90","","110.347","0.003","90","","6856","2","296.15","","296.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C26 H55 Co Cr2 Mo12 N10 O53 -","- C26 H55 Co Cr2 Mo12 N10 O53 -","- C104 H220 Co4 Cr8 Mo48 N40 O212 -","4","1","","Jin, Liang; Ying, Jun; Zhang, Yanping; Sun, Chenxi; Tian, Aixiang; Wang, Xiuli","A series of polyoxometalate compounds by tuning N sites and numbers of ligands: syntheses, characterization and electrochemical sensing, and photocatalytic and supercapacitor properties","New Journal of Chemistry","2022","46","18","8422","8432","10.1039/D2NJ00674J","","","0.71073","MoKα","","0.108","0.0656","","","0.1465","0.1699","","","","","","1.001","","","","has coordinates","275801","2022-06-06","01:54:34",""
"7061786","12.8516","0.0008","12.8118","0.0007","36.527","0.002","90","","90.064","0.003","90","","6014.2","0.6","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H21 N O2 Si2 -","- C12 H21 N O2 Si2 -","- C192 H336 N16 O32 Si32 -","16","4","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","1.54178","CuKα","","0.1088","0.1072","","","0.2802","0.2825","","","","","","1.013","","","","has coordinates","278445","2022-10-07","01:07:20",""
"7061797","9.67","0.004","24.423","0.009","8.68","0.003","90","","102.684","0.009","90","","1999.9","1.3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15 H27 Cl2 Cu N2 O P -","- C15 H27 Cl2 Cu N2 O P -","- C60 H108 Cl8 Cu4 N8 O4 P4 -","4","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0679","0.0398","","","0.0846","0.0949","","","","","","1.021","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061914","8.9465","0.0005","17.4587","0.0009","8.1154","0.0004","90","","96.586","0.005","90","","1259.21","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H13 Br3 Cl N Pb -","- C5 H13 Br3 Cl N Pb -","- C20 H52 Br12 Cl4 N4 Pb4 -","4","1","","Li, Duo-Fu; Zhao, Peng-Ju; Deng, Xiang-Hong; Wu, Yao-Zhen; He, Xiao-Li; Liu, Dong-Sheng; Li, Yong-Xiu; Sui, Yan","A new organic–inorganic hybrid perovskite ferroelectric [ClCH2CH2N(CH3)3][PbBr3] and Its PVDF matrix-assisted highly-oriented flexible ferroelectric films","New Journal of Chemistry","2022","46","40","19391","19400","10.1039/D2NJ03613D","","","0.71073","MoKα","","0.0351","0.0342","","","0.0812","0.0817","","","","","","1.064","","","","has coordinates","279023","2022-11-07","05:43:50",""
"7061915","9.0546","0.0005","17.6736","0.0008","8.1163","0.0003","90","","96.279","0.004","90","","1291.04","0.1","332.99","0.11","332.99","0.11","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H13 Br3 Cl N Pb -","- C5 H13 Br3 Cl N Pb -","- C20 H52 Br12 Cl4 N4 Pb4 -","4","1","","Li, Duo-Fu; Zhao, Peng-Ju; Deng, Xiang-Hong; Wu, Yao-Zhen; He, Xiao-Li; Liu, Dong-Sheng; Li, Yong-Xiu; Sui, Yan","A new organic–inorganic hybrid perovskite ferroelectric [ClCH2CH2N(CH3)3][PbBr3] and Its PVDF matrix-assisted highly-oriented flexible ferroelectric films","New Journal of Chemistry","2022","46","40","19391","19400","10.1039/D2NJ03613D","","","0.71073","MoKα","","0.0283","0.0256","","","0.0569","0.0576","","","","","","1.005","","","","has coordinates","279023","2022-11-07","05:43:53",""
"7061916","9.0521","0.0005","17.6601","0.0011","8.1063","0.0005","90","","96.332","0.006","90","","1287.98","0.13","328","0.1","328","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H13 Br3 Cl N Pb -","- C5 H13 Br3 Cl N Pb -","- C20 H52 Br12 Cl4 N4 Pb4 -","4","1","","Li, Duo-Fu; Zhao, Peng-Ju; Deng, Xiang-Hong; Wu, Yao-Zhen; He, Xiao-Li; Liu, Dong-Sheng; Li, Yong-Xiu; Sui, Yan","A new organic–inorganic hybrid perovskite ferroelectric [ClCH2CH2N(CH3)3][PbBr3] and Its PVDF matrix-assisted highly-oriented flexible ferroelectric films","New Journal of Chemistry","2022","46","40","19391","19400","10.1039/D2NJ03613D","","","0.71073","MoKα","","0.026","0.0242","","","0.0597","0.0602","","","","","","1.123","","","","has coordinates","279023","2022-11-07","05:44:02",""
"7061956","7.7965","0.0001","18.2667","0.0002","11.3714","0.0001","90","","91.614","0.001","90","","1618.83","0.03","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H23 Br N2 -","- C18 H23 Br N2 -","- C72 H92 Br4 N8 -","4","1","","Kolupaeva, Ekaterina V.; Ozeryanskii, Valery A.","Dialkylamino and trialkylammonium groups in close proximity: intra- and intermolecular ways of formation, structural consequences, and properties. A case of metal-free directed ortho alkylation","New Journal of Chemistry","2022","46","36","17140","17144","10.1039/D2NJ02653H","","x-ray","1.54184","CuKα","","0.0139","0.0139","","","0.0359","0.036","","","","","","1.111","","","","has coordinates","278379","2022-10-06","06:41:29",""
"7062097","9.5744","0.0001","24.2668","0.0004","10.9757","0.0001","90","","96.53","0.001","90","","2533.55","0.05","150","0.1","150","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H28 N4 O4 Zn -","- C28 H28 N4 O4 Zn -","- C112 H112 N16 O16 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0246","0.0233","","","0.0571","0.058","","","","","","1.029","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062134","15.5439","0.0009","13.3273","0.0006","13.7634","0.0007","90","","98.924","0.005","90","","2816.7","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H21 Cu2 N6 Na O12 -","- C26 H21 Cu2 N6 Na O12 -","- C104 H84 Cu8 N24 Na4 O48 -","4","1","","da Silva, Rafaela M. R.; Rosa, Iara M. L.; Oliveira, Willian X. C.; Alves, Odivaldo C.; Santos, Evelyn C. S.; Garcia, Flávio; Silva Junior, Henrique C.; Ferreira, Glaucio B.; Guedes, Guilherme P.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda","Carbon dioxide uptake by [Cu(bpca)]+: synthesis, crystal structure, and magnetic properties of {[Na(H2O)2][Cu2(bpca)2(CO3)(HCO3)]}n [Hbpca = bis(2-pyridylcarbonyl)amide]","New Journal of Chemistry","2023","47","3","1066","1075","10.1039/D2NJ05268G","","","0.71073","MoKα","","0.0662","0.0494","","","0.0975","0.1064","","","","","","1.078","","","","has coordinates","281542","2023-03-04","18:36:39",""
"7062285","11.3528","0.0005","22.4212","0.001","20.7154","0.0008","90","","101.49","0.002","90","","5167.3","0.4","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C51 H62 Br Cl2 Cu N6 P2 -","- C51 H62 Br Cl2 Cu N6 P2 -","- C204 H248 Br4 Cl8 Cu4 N24 P8 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions","New Journal of Chemistry","2023","47","12","5930","5938","10.1039/D3NJ00451A","","","0.71073","MoKα","","0.0282","0.0259","","","0.0584","0.0601","","","","","","1.027","","","","has coordinates","283419","2023-05-05","03:06:40",""
"7062303","29.274","0.003","9.8162","0.0008","25.246","0.002","90","","122.082","0.002","90","","6146.8","1","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C70 H46 F24 O6 -","- C70 H46 F24 O6 -","- C280 H184 F96 O24 -","4","1","","Zhang, Mei; Lu, Liping; Yang, Guoliang; Mo, Xiaofeng; Luo, Shunyin; Irfan, Majeed; Zeng, Zhuo","Straightforward intra/intermolecular cyclization to AIE-active cyclic TPE: selectively distinguishing benzaldehyde and a temperature sensor","New Journal of Chemistry","2023","47","12","5915","5921","10.1039/D3NJ00390F","","","0.71073","MoKα","","0.0632","0.0469","","","0.1065","0.1182","","","","","","1.082","","","","has coordinates","283428","2023-05-05","03:08:17",""
"7062342","12.948","0.0002","23.6942","0.0003","10.6992","0.0001","90","","93.598","0.001","90","","3275.96","0.07","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H48 Br Co Mg O10 -","- C28 H48 Br Co Mg O10 -","- C112 H192 Br4 Co4 Mg4 O40 -","4","1","","Kazakov, Gennady G.; Druzhkov, Nikolay O.; Rumyantcev, Roman V.; Fukin, Georgy K.; Starikov, Andrey G.; Piskunov, Alexandr V.; Cherkasov, Vladimir K.","The reactivity of N-heterocyclic diphospholenes towards iron triad carbonyls","New Journal of Chemistry","2023","47","12","5953","5960","10.1039/D3NJ00450C","","","0.71073","MoKα","","0.0394","0.0378","","","0.096","0.0974","","","","","","1.028","","","","has coordinates","283426","2023-05-05","03:08:00",""
"7062846","14.0102","0.0015","35.458","0.004","18.735","0.002","90","","110.31","0.002","90","","8728.4","1.7","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","octadecacarbonyl-hexachloro-bis[3-(pyridin-2-yl-κN)tri-imidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine-κN^5^]-hexarhenium n-hexane solvate","","- C70 H74 Cl6 N14 O18 Re6 -","- C70 H74 Cl6 N14 O18 Re6 -","- C280 H296 Cl24 N56 O72 Re24 -","4","1","","Malpicci, Daniele; Maver, Daniele; Maggioni, Daniela; Mercandelli, Pierluigi; Carlucci, Lucia; Cariati, Elena; Mussini, Patrizia; Panigati, Monica","2-Pyridine cyclic triimidazole as a chelating and bridging ligand in mono- and hexa-nuclear Re(i) complexes with emissive properties in solution and in the solid state","New Journal of Chemistry","2023","47","46","21463","21474","10.1039/D3NJ02823B","","","0.71073","MoKα","","0.0483","0.0365","","","0.0741","0.0786","","","","","","1.073","","","","has coordinates","288837","2024-01-06","08:45:59",""
"7063018","7.6981","0.0003","57.5833","0.0019","6.6814","0.0002","90","","91.615","0.001","90","","2960.57","0.18","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H40 Fe P Sb -","- C34 H40 Fe P Sb -","- C136 H160 Fe4 P4 Sb4 -","4","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0206","0.0188","","","0.0384","0.0387","","","","","","1.061","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063060","13.792","0.003","12.009","0.002","8.5544","0.0016","90","","100.71","0.003","90","","1392.2","0.5","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C64 H32 Br8 N8 -","4","1","","Ali, Hasrat; van Lier, Johan E.","gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations","New Journal of Chemistry","2024","48","14","6350","6366","10.1039/D3NJ04853E","","","0.71073","MoKα","","0.0266","0.0216","","","0.0392","0.0404","","","","","","1","","","","has coordinates","291023","2024-04-05","00:05:18",""
"7063100","15.8498","0.0002","16.2943","0.0002","18.5455","0.0002","90","","98.377","0.001","90","","4738.49","0.1","173","0.1","173","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C52 H54 Cl2 Co N2 P2 Si2 -","- C52 H54 Cl2 Co N2 P2 Si2 -","- C208 H216 Cl8 Co4 N8 P8 Si8 -","4","1","","Zhang, Min; Dong, Yanhong; Li, Qingshuang; Li, Xiaoyan; Sun, Hongjian","Effects of silylene ligands on the catalytic activity of [PSiP] pincer cobalt(ii) chloride for N2 silylation","New Journal of Chemistry","2024","48","16","7334","7339","10.1039/D4NJ00883A","","x-ray","1.54184","CuKα","","0.0294","0.0273","","","0.0619","0.0626","","","","","","1.029","","","","has coordinates","291674","2024-05-05","03:49:32",""
"7100096","6.265","0.004","20.618","0.013","25.042","0.016","90","","97.062","0.011","90","","3210","4","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","oxabridged spirocyclic seven-membered-ring system","","","- C21 H18 O3 -","- C21 H18 O3 -","- C168 H144 O24 -","8","2","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Munirathinam Nethaji","Highly regio-, chemo- and diastereoselective synthesis of epoxy-bridged spirocycles: A novel observation of reverse selectivity","Chemical Communications","2005","","","","","10.1039/b504692k","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100144","14.3168","0.0012","14.7242","0.0012","18.7652","0.0015","90","","102.536","0.002","90","","3861.5","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C53 H39 N Si -","- C53 H39 N Si -","- C212 H156 N4 Si4 -","4","1","","Mi, Baoxiu; Dong, Yongqiang; Li, Zhen; Lam, Jacky W. Y.; Häußler, Matthias; Sung, Herman H. Y.; Kwok, Hoi-Sing; Dong, Yuping; Williams, Ian D.; Liu, Yunqi; Luo, Yi; Shuai, Zhigang; Zhu, Daoben; Tang, Ben Zhong","Making silole photovoltaically active by attaching carbazolyl donor groups to the silolyl acceptor core","Chemical Communications","2005","","","3583","3585","10.1039/b505683g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100498","28.046","0.005","7.5638","0.0014","6.3222","0.0012","90","","96.738","0.002","90","","1331.9","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-(4-methoxyphenoxy)-N,N-dimethyl-aniline","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100700","21.3","0.004","5.7697","0.0012","16.796","0.003","90","","114.68","0.03","90","","1875.5","0.7","292","2","292","2","","","","","","","","4","C 1 c 1","C -2yc","9","2,3,4,5,6-pentafluorophenol","","","- C6 H F5 O -","- C6 H F5 O -","- C72 H12 F60 O12 -","12","3","","Gautam Desiraju; Rahul Banerjee; Roland Boese; Dinabandhu Das; Judith A. K. Howard; Raju Mondal","Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (Z?>1) in crystals of some hydroxy compounds","Chemical Communications","2006","","","","","10.1039/b514076e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100759","8.613","0.0006","23.0367","0.0009","10.7028","0.0007","90","","95.494","0.002","90","","2113.8","0.2","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C25 H25 O6 -","- C25 H26 O6 -","- C100 H104 O24 -","4","1","","Young Keun Chung; Do Han Kim","Tandem Pauson-Khand reaction and Diels-Alder reaction for access to polycycles in a one-pot reaction","Chemical Communications","2005","","","","","10.1039/b413918f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100870","14.276","0.0008","14.2485","0.0008","22.6565","0.0013","90","","92.136","0.002","90","","4605.4","0.5","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C16 H14 -","- C16 H14 -","- C256 H224 -","16","4","","Jack Saltiel; Ronald J. Clark; Tallapragada S. R. Krishna; Andrzej M. Turek","Photoisomerization of cis,cis-1,4-diphenyl-1,3-butadiene in glassy media at 77 K: The Bicycle-Pedal mechanism","Chemical Communications","2006","","","","","10.1039/b516319f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100908","14.494","0.003","9.592","0.0019","14.163","0.003","90","","105.45","0.03","90","","1897.8","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H28 I N P2 Se2 -","- C12 H28 I N P2 Se2 -","- C48 H112 I4 N4 P8 Se8 -","4","1","","T. Chivers; Jari Konu; Heikki Tuononen","The Cyclic [N(PiPr2E)2]+ (E = Se, Te) Cations: A New Class of Inorganic Ring System","Chemical Communications","2006","","","","","10.1039/b600040a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100909","14.187","0.003","9.756","0.002","14.682","0.003","90","","108.6","0.03","90","","1926","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H28 I N P2 Te2 -","- C12 H28 I N P2 Te2 -","- C48 H112 I4 N4 P8 Te8 -","4","1","","T. Chivers; Jari Konu; Heikki Tuononen","The Cyclic [N(PiPr2E)2]+ (E = Se, Te) Cations: A New Class of Inorganic Ring System","Chemical Communications","2006","","","","","10.1039/b600040a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180111","2020-10-21","18:00:00",""
"7101126","9.2658","0.0019","24.167","0.005","15.877","0.003","90","","91.97","0.03","90","","3553.1","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H38 Al2 Mn N6 O -","- C36 H38 Al2.2 Mn1.2 N6 O -","- C144 H152 Al8.8 Mn4.8 N24 O4 -","4","1","","Dominic S. Wright; Carmen Soria Alvarez; Felipe Garcia; Alexander Hopkins; Simon M. Humphrey; Richard A. Kowenicki; Richard A. Layfield; M. McPartlin; Robert Raja; Michael C. Rogers; Anthony Woods","A Simple Route to Heterometallic Transition Metal/Aluminium(III) Complexes via Transfer of the [MeAl(2-py)3]- anion (2-py== 2-pyridyl)","Chemical Communications","2005","","2","","","10.1039/b413488e","","","0.71073","MoKα","","0.0745","0.0691","","","0.1732","0.1786","","","","","","1.051","","","","has coordinates,has disorder","180113","2020-10-21","18:00:00",""
"7101167","13.041","0.0005","10.8975","0.0004","7.4136","0.0002","90","","102.994","0.002","90","","1026.6","0.06","93.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H8 Cl2 N2 O2 -","- C10 H8 Cl2 N2 O2 -","- C40 H32 Cl8 N8 O8 -","4","1","","Fumio Toda; Shinji Toyota","A new [2+2] photodimerization of 5-chloro- and 5-methyl-2-pyridone in their inclusion complexes with 1,1f-biphenyl-2,2f-dicarboxylic acid as a model for DNA damage by photodimerization of its thymine component","Chemical Communications","2005","","5","","","10.1039/b414134b","","","0.7107","MoKα","","","0.0228","","","","0.061","","","","","","1.648","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101277","11.276","0.005","20.656","0.005","9.43","0.005","90","0.005","93.968","0.005","90","0.005","2191.1","1.6","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H27 Cl2 N3 Zn -","- C22 H27 Cl2 N3 Zn -","- C88 H108 Cl8 N12 Zn4 -","4","1","","A.Cowley; Nicholas Hill; Jennifer Moore; Gregor Reeske; Kalyan Vasudevan","Facile Routes to Alkyl-BIAN ligands","Chemical Communications","2006","","27","","","10.1039/b606390j","","","0.71069","MoKα","","0.0581","0.0374","","","0.0707","0.0778","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7101365","21.5488","0.0019","13.3481","0.0009","27.62","0.003","90","","92.313","0.007","90","","7938","1.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C74 H96 Cl5 F6 N6 O20 P -","- C74 H96 Cl5 F6 N6 O20 P -","- C296 H384 Cl20 F24 N24 O80 P4 -","4","1","","P. D. Beer; Andrew R. Cowley; Ka-Yuen Ng.","Anion Templated Double Cyclization Assembly of a Chloride Selective [2]Catenane","Chemical Communications","2006","","35","","","10.1039/b606503a","","","1.54248","CuKα","","0.087","0.077","","0.0988","0.0914","0.0914","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101448","17.62","0.004","12.441","0.003","14.419","0.003","90","","100.69","0.03","90","","3106.1","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H48 Cl Ge N3 -","- C31 H48 Cl Ge N3 -","- C124 H192 Cl4 Ge4 N12 -","4","1","","Cameron Jones; Shaun P. Green; Peter Junk; Kai-Alexander Lippert; Andreas Stasch","Synthetic, Structural and Theoretical Studies of Amidinate and Guanidinate Stabilised Germanium(I) Dimers","Chemical Communications","2006","","38","","","10.1039/b610645e","","","0.71073","MoKα","","0.0683","0.0643","","","0.1349","0.1374","","","","","","1.157","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00",""
"7101566","13.1173","0.0009","13.2215","0.0009","12.0518","0.0008","90","","113.404","0.002","90","","1918.2","0.2","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","Copper(ii) Nitrate 1:2 Complex with Pyridazino(4,5- d)pyridazine, Tetrahydrate","Copper(II) Nitrate 1:2 Complex with Pyridazino[4,5-d]pyridazine, Tetrahydrate","","- C12 H16 Cu N10 O10 -","- C12 H12 Cu N10 O10 -","- C48 H48 Cu4 N40 O40 -","4","1","","I.Gural'skiy; P.V.Solntsev; H.Krautscheid; K.V.Domasevitch","Metal-organic frameworks exhibiting strong anion-pi interactions","Chemical Communications","2006","","46","","","10.1039/b612660j","","","0.71073","MoKα","","0.0444","0.0413","","","0.1124","0.1145","","","","","","1.08","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101682","20.9769","0.0019","13.9008","0.0012","12.2335","0.0011","90","","123.831","0.001","90","","2963.2","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H32 Cu N2 O4 S4 -","- C28 H32 Cu N2 O4 S4 -","- C112 H128 Cu4 N8 O16 S16 -","4","1","","Bandini, Marco; Piccinelli, Fabio; Tommasi, Simona; Umani-Ronchi, Achille; Ventrici, Caterina","Highly enantioselective nitroaldol reaction catalyzed by new chiral copper complexes.","Chemical communications (Cambridge, England)","2007","","6","616","618","10.1039/b613019d","","","0.71073","MoKα","","0.0773","0.0602","","","0.1887","0.2073","","","","","","1.043","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101898","13.313","0.002","10.946","0.002","15.148","0.003","90","","110.86","0.02","90","","2062.7","0.6","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","060036","","","- C11 H23 F6 Fe N3 O6 S2 -","- C11 H23 F6 Fe N3 O6 S2 -","- C44 H92 F24 Fe4 N12 O24 S8 -","4","1","","Klotz, Katie L.; Slominski, Luke M.; Hull, Anthony V.; Gottsacker, Victoria M.; Mas-Ballesté, Rubén; Que, Jr., Lawrence; Halfen, Jason A.","Non-heme iron(II) complexes are efficient olefin aziridination catalysts","Chemical Communications (Cambridge, United Kingdom)","2007","","20","2063","2065","10.1039/b700493a","","","0.71073","MoKα","","0.0435","0.042","","","0.1056","0.1075","","","","","","1.031","","","","has coordinates","209800","2020-10-21","18:00:00",""
"7102114","14.311","0.002","13.4071","0.0016","14.598","0.002","90","","103.464","0.017","90","","2723.9","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H19 Cl2 Co N7 O9 -","- C24 H19 Cl2 Co N7 O9 -","- C96 H76 Cl8 Co4 N28 O36 -","4","1","","Wang, Jian; Onions, Stuart; Pilkington, Melanie; Stoeckli-Evans, Helen; Halfpenny, Joan C; Wallis, John D","Metal catalyzed rearrangement of a 2,2'-bipyridine Schiff-base ligand to a quaterpyridine-type complex.","Chemical communications (Cambridge, England)","2007","","35","3628","3630","10.1039/b705555b","","","0.71073","MoKα","","0.1222","0.0552","","","0.1157","0.1351","","","","","","0.851","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7102224","24.4838","0.0008","8.0709","0.0003","12.1166","0.0004","90","","104.469","0.002","90","","2318.38","0.14","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H12 I N O -","- C13 H12 I N O -","- C104 H96 I8 N8 O8 -","8","2","","Fürstner, Alois; Schlecker, Andreas; Lehmann, Christian W.","Facile formation of iodocyclobutenes by a ruthenium-catalyzed enyne cycloisomerization","Chemical Communications (Cambridge, United Kingdom)","2007","","41","4277","4279","10.1039/b708903a","","","1.54178","CuKα","","0.0382","0.0321","","","0.0776","0.0811","","","","","","1.057","","","","has coordinates","210767","2020-10-21","18:00:00",""
"7102346","13.3164","0.0016","17.129","0.002","20.726","0.003","90","","105.007","0.002","90","","4566.2","1","193","2","193","2","","","100","","","","Chemical synthesis via corner capping technique","5","C 1 c 1","C -2yc","9","Methylhepta(3,3,3-trifluropropyl)-T8-Silsesquioxane","Methylhepta(3,3,3-trifluropropyl)-T8-Silsesquioxane","","- C22 H31 F21 O12 Si8 -","- C22 H31 F21 O12 Si8 -","- C88 H124 F84 O48 Si32 -","4","1","","Iacono, Scott T; Vij, Ashwani; Grabow, Wade; Smith, Jr, Dennis W; Mabry, Joseph M","Facile synthesis of hydrophobic fluoroalkyl functionalized silsesquioxane nanostructures.","Chemical communications (Cambridge, England)","2007","","47","4992","4994","10.1039/b712976a","","x-ray","0.71073","MoKα","","0.0514","0.048","","","0.1332","0.1395","","","","","","1.022","","","","has coordinates,has disorder","180125","2020-10-21","18:00:00",""
"7102641","13.422","0.003","4.6511","0.0009","21.261","0.004","90","","94.97","0.03","90","","1322.3","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-4-ethynyl-N'-4'-nitrophenylurea","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","1","","George, Sumod; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C W; Nicoud, Jean-François","Crystal engineering of urea alpha-network via I...O2N synthon and design of SHG active crystal N-4-iodophenyl-N'-4'-nitrophenylurea.","Chemical communications (Cambridge, England)","2004","","10","1202","1203","10.1039/b402050b","","","0.71073","MoKα","","0.09","0.0475","","","0.1232","0.1729","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102642","13.552","0.003","4.6722","0.0009","21.377","0.006","90","","90.4","0.03","90","","1353.5","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-4-iodophenyl-N'-4'-nitrophenylurea","","- C13 H10 I N3 O3 -","- C13 H10 I N3 O3 -","- C52 H40 I4 N12 O12 -","4","1","","George, Sumod; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C W; Nicoud, Jean-François","Crystal engineering of urea alpha-network via I...O2N synthon and design of SHG active crystal N-4-iodophenyl-N'-4'-nitrophenylurea.","Chemical communications (Cambridge, England)","2004","","10","1202","1203","10.1039/b402050b","","","0.71073","MoKα","","0.0321","0.0288","","","0.0739","0.0774","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7102722","36.81","0.003","15.7955","0.0012","12.1174","0.0009","90","","101.681","0.001","90","","6899.6","0.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H50 F24 N12 O P4 Ru2 -","- C72 H48 F24 N12 O P4 Ru2 -","- C288 H192 F96 N48 O4 P16 Ru8 -","4","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0348","0.0347","","","0.0849","0.0849","","","","","","1.158","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102724","36.6813","0.0019","15.839","0.0008","12.1451","0.0006","90","","101.665","0.001","90","","6910.5","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H50 F24 N12 O Os2 P4 -","- C72 H48 F24 N12 O Os2 P4 -","- C288 H192 F96 N48 O4 Os8 P16 -","4","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0321","0.0313","","","0.0756","0.0766","","","","","","1.032","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102805","26.776","0.004","9.89","0.003","10.644","0.005","90","","110.44","0.03","90","","2641.2","0.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","(BEDT-TTF-bis(sulfoxide))(TCNQF4)","","","- C22 H8 F4 N4 O2 S8 -","- C22 H8 F4 N4 O2 S8 -","- C88 H32 F16 N16 O8 S32 -","4","1","","Chas, Marcos; Lemarié, Margareth; Gulea, Mihaela; Avarvari, Narcis","Chemo- and enantioselective sulfoxidation of bis(ethylenedithio)-tetrathiafulvalene (BEDT-TTF) into chiral BEDT-TTF-sulfoxide","Chemical Communications (Cambridge, United Kingdom)","2008","","2","220","222","10.1039/b714245e","","","0.71073","MoKα","","0.0881","0.0455","","","0.0887","0.0996","","","","","","1.021","","","","has coordinates","210798","2020-10-21","18:00:00",""
"7102879","14.025","0.003","23.337","0.006","22.624","0.005","90","","90.068","0.008","90","","7405","3","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C87 H59 B3 Cl6 N8 O6 -","- C87 H59 B3 Cl6 N8 O6 -","- C348 H236 B12 Cl24 N32 O24 -","4","1","","Ikeda, Chusaku; Nabeshima, Tatsuya","Self-assembled cyclic boron-dipyrrin oligomers","Chemical Communications (Cambridge, United Kingdom)","2008","","6","721","723","10.1039/b716453j","","","0.71075","MoKα","","0.0697","0.0621","","","0.1648","0.174","","","","","","1.046","","","","has coordinates","210419","2020-10-21","18:00:00",""
"7102947","15.278","0.004","9.109","0.002","15.379","0.004","90","","125.12","0.004","90","","1750.6","0.8","193","2","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Cl N3 S3 Zn -","- C16 H12 Cl N3 S3 Zn -","- C64 H48 Cl4 N12 S12 Zn4 -","4","1","","Kitano, Ken'ichi; Kuwamura, Naoto; Tanaka, Rika; Santo, Ryoko; Nishioka, Takanori; Ichimura, Akio; Kinoshita, Isamu","Synthesis and characterization of tris(2-pyridylthio)methanido Zn complex with a Zn-C bond and DFT calculation of its one-electron oxidized species.","Chemical communications (Cambridge, England)","2008","","11","1314","1316","10.1039/b715996j","","","0.7107","MoKα","","0.0521","0.0471","","","0.1068","0.1108","","","","","","1.052","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7102963","46.416","0.003","7.2645","0.0004","10.9433","0.0007","90","","102.816","0.005","90","","3598","0.4","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H32 O -","- C22 H32 O -","- C176 H256 O8 -","8","2","","Zhao, Jun-Feng; Zhao, Yu-Jun; Loh, Teck-Peng","Indium tribromide-promoted arene-terminated epoxy olefin cyclization.","Chemical communications (Cambridge, England)","2008","","11","1353","1355","10.1039/b718337b","","","0.71073","MoKα","","0.1034","0.0936","","","0.257","0.2685","","","","","","1.048","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7103125","27.151","0.003","7.5779","0.0004","7.2416","0.0008","90","","101.694","0.003","90","","1459","0.2","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Park, Ji Hoon; Kim, Eunha; Kim, Hyeong-Mook; Choi, Soo Young; Chung, Young Keun","Cobalt/rhodium heterobimetallic nanoparticle-catalyzed carbonylative [2+2+1] cycloaddition of allenes and bisallenes to Pauson-Khand-type reaction products.","Chemical communications (Cambridge, England)","2008","","20","2388","2390","10.1039/b718107h","","","0.71073","MoKα","","0.0759","0.0496","","","0.123","0.1378","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103269","11.227","0.007","32.76","0.02","5.358","0.003","90","","115.235","0.008","90","","1782","2","140","2","140","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H23 N O -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","1","","Kang, Jun Yong; Bugarin, Alejandro; Connell, Brian T","Conversion of nitrosobenzenes to isoxazolidines: an efficient cascade process utilizing reactive nitrone intermediates.","Chemical communications (Cambridge, England)","2008","","30","3522","3524","10.1039/b806374e","","","0.71073","MoKα","","0.0931","0.0548","","","0.1174","0.1358","","","","","","1.085","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103477","21.315","0.004","8.1515","0.0016","15.649","0.003","90","","112.03","0.03","90","","2520.6","0.9","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H40 B10 -","- C24 H40 B10 -","- C96 H160 B40 -","4","1","","Hutton, Brian W; MacIntosh, Fraser; Ellis, David; Herisse, Fabien; Macgregor, Stuart A; McKay, David; Petrie-Armstrong, Victoria; Rosair, Georgina M; Perekalin, Dmitry S; Tricas, Hugo; Welch, Alan J","Unprecedented steric deformation of ortho-carborane.","Chemical communications (Cambridge, England)","2008","","42","5345","5347","10.1039/b810702e","","","0.71073","MoKα","","0.0643","0.0582","","","0.1515","0.1568","","","","","","1.152","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103499","18.839","0.0019","12.6378","0.0014","10.2009","0.001","90","","95.756","0.003","90","","2416.4","0.4","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H36 O3 S2 -","- C21 H36 O3 S2 -","- C84 H144 O12 S8 -","4","1","","Xu, Junye; Fu, Xiao; Low, Ruijuan; Goh, Yong-Peng; Jiang, Zhiyong; Tan, Choon-Hong","Tandem conjugate addition-elimination reaction promoted by chiral pyrrolidinyl sulfonamide (CPS).","Chemical communications (Cambridge, England)","2008","","43","5526","5528","10.1039/b810905m","","","0.71073","MoKα","","0.1009","0.0595","","","0.1237","0.1394","","","","","","0.949","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103657","19.6558","0.0019","15.9396","0.0015","7.0274","0.0007","90","","99.317","0.002","90","","2172.7","0.4","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 Cl2 N2 Zn -","- C24 H24 Cl2 N2 Zn -","- C96 H96 Cl8 N8 Zn4 -","4","1","","Bhattacharyya, Sibaprasad; Clark, Aurora E.; Pink, Maren; Zaleski, Jeffrey M.","Isolation of electronic from geometric contributions to Bergman cyclization of metalloenediynes","Chemical Communications (Cambridge, United Kingdom)","2003","","10","1156","1157","10.1039/b301690k","","","0.71073","MoKα","","0.0334","0.0329","","","0.0864","0.0867","","","","","","1.055","","","","has coordinates","209757","2020-10-21","18:00:00",""
"7103901","21.4502","0.0005","21.4616","0.0005","19.922","0.0005","90","","90.156","0.002","90","","9171.2","0.4","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C79 H60 B4 Cu4 F16 N27.5 O8 -","- C79 H60 B4 Cu4 F16 N27.5 O8 -","- C316 H240 B16 Cu16 F64 N110 O32 -","4","1","","Hausmann, Julia; Jameson, Geoffrey B.; Brooker, Sally","Control of molecular architecture by the degree of deprotonation: self-assembled di- and tetranuclear copper(II) complexes of N,N'-bis(2-pyridylmethyl)pyrazine-2,3-dicarboxamide","Chemical Communications (Cambridge, United Kingdom)","2003","","24","2992","2993","10.1039/b308263f","","","0.71073","MoKα","","0.1137","0.0603","","","0.1166","0.1366","","","","","","0.909","","","","has coordinates,has disorder","210534","2020-10-21","18:00:00",""
"7104172","49.259","0.005","4.9656","0.0004","15.3119","0.0013","90","","90.604","0.006","90","","3745.1","0.6","100","2","100","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C22 H16 N2 O4 S2 -","- C22 H16 N2 O4 S2 -","- C176 H128 N16 O32 S16 -","8","2","","Chevallier, Floris; Charlot, Marina; Katan, Claudine; Mongin, Florence; Blanchard-Desce, Mireille","Novel chromophores from alternated pyridine-ethylenedioxythiophene unit oligomers: dramatic enhancement of photoluminescence properties in elongated derivatives.","Chemical communications (Cambridge, England)","2009","34","6","692","694","10.1039/b815656e","","x-ray","0.71073","MoKα","","0.0842","0.0724","","","0.1789","0.1901","","","","","","1.051","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104178","15.402","0.004","8.6206","0.0015","12.5","0.003","90","","97.22","0.02","90","","1646.6","0.6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H20 N2 Na O2 P -","- C14 H20 N2 Na O2 P -","- C56 H80 N8 Na4 O8 P4 -","4","1","","Schmid, Dirk; Loscher, Sebastian; Gudat, Dietrich; Bubrin, Denis; Hartenbach, Ingo; Schleid, Thomas; Benko, Zoltán; Nyulászi, László","Benzo-1,3,2-diazaphospholide and benzo-1,3,2-diazaphospholium: an isoelectronic aromatic anion-cation pair.","Chemical communications (Cambridge, England)","2009","34","7","830","832","10.1039/b817046k","","","0.71073","MoKα","","0.0399","0.0362","","","0.0971","0.0987","","","","","","0.995","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104591","13.5097","0.0009","10.7868","0.0007","16.7912","0.0011","90","","110.666","0.004","90","","2289.5","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H35 Au F6 P Sb -","- C16 H35 Au F6 P Sb -","- C64 H140 Au4 F24 P4 Sb4 -","4","1","","Hooper, Thomas N; Green, Michael; McGrady, John E; Patel, Jaynika R; Russell, Christopher A","Synthesis and structural characterisation of stable cationic gold(I) alkene complexes.","Chemical communications (Cambridge, England)","2009","34","26","3877","3879","10.1039/b908109g","","x-ray","0.71074","MoKα","","0.0543","0.0479","","","0.1085","0.1103","","","","","","0.974","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104594","12.7563","0.0004","18.5514","0.0006","15.1861","0.0006","90","","104.35","0.004","90","","3481.6","0.2","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H60 N3 O2 P2 Si2 Y -","- C25 H60 N3 O2 P2 Si2 Y -","- C100 H240 N12 O8 P8 Si8 Y4 -","4","1","","Platel, Rachel H; White, Andrew J P; Williams, Charlotte K","Stereocontrolled lactide polymerisation determined by the nuclearity of the yttrium initiator.","Chemical communications (Cambridge, England)","2009","34","27","4115","4117","10.1039/b903784e","","","0.71073","MoKα","","0.0513","0.0353","","","0.0693","0.0712","","","","","","0.9","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104615","22.537","0.005","11.602","0.002","22.586","0.005","90","","116.71","0.03","90","","5275.5","1.8","153","2","153","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H89 Ga2 Li N2 O3 Si8 -","- C34 H89 Ga2 Li N2 O3 Si8 -","- C136 H356 Ga8 Li4 N8 O12 Si32 -","4","1","","Uhl, Werner; Halvagar, Mohammad Reza; Layh, Marcus","A heterocyclic organogallium peroxide with two dialkylgallium groups bridged by a peroxide dianion.","Chemical communications (Cambridge, England)","2009","34","28","4269","4271","10.1039/b906392g","","","0.71073","MoKα","","0.1305","0.0797","","","0.1786","0.2039","","","","","","1.069","","","","has coordinates,has disorder","180149","2020-10-21","18:00:00",""
"7104631","14.631","0.003","12.773","0.003","9.3737","0.0019","90","","121.93","0.03","90","","1486.6","0.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Wang, Chao; Deng, Liang; Yan, Jun; Wang, Hailin; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng","Zirconocene-mediated ligand-switched selective cleavage of active and inert carbon-carbon bonds in allylcyclopropanes.","Chemical communications (Cambridge, England)","2009","34","29","4414","4416","10.1039/b908803b","","","0.71073","MoKα","","0.0779","0.0412","","","0.0731","0.0817","","","","","","0.993","","","","has coordinates","180149","2020-10-21","18:00:00",""
"7104978","15.8849","0.0002","69.055","0.001","15.7466","0.0003","90","","106.499","0.001","90","","16561.7","0.4","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H36 N4 P4 -","- C16 H36 N4 P4 -","- C448 H1008 N112 P112 -","28","7","","Bladt, Henrike; Gonzalez Calera, Silvia; Goodman, Jonathan M; Less, Robert J; Naseri, Vesal; Steiner, Alexander; Wright, Dominic S","The regioselective photochemical rearrangement of alpha-[PN(t)Bu](4).","Chemical communications (Cambridge, England)","2009","","43","6637","6639","10.1039/b914370j","","","0.71073","MoKα","","0.1327","0.1123","","","0.2889","0.3152","","","","","","0.983","","","","has coordinates,has disorder","180153","2020-10-21","18:00:00",""
"7105209","14.1189","0.0009","22.0924","0.0013","25.6881","0.0016","90","","91.169","0.001","90","","8011","0.9","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C94 H112 N2 Sn2 -","- C94 H112 N2 Sn2 -","- C376 H448 N8 Sn8 -","4","1","","Peng, Yang; Wang, Xinping; Fettinger, James C; Power, Philip P","Reversible complexation of isocyanides by the distannyne Ar'SnSnAr' (Ar' = C(6)H(3)-2,6(C(6)H(3)-2,6-(i)Pr(2))(2)).","Chemical communications (Cambridge, England)","2010","46","6","943","945","10.1039/b919828h","","","0.71073","MoKα","","0.04","0.0312","","","0.0705","0.074","","","","","","1.031","","","","has coordinates,has disorder","180156","2020-10-21","18:00:00",""
"7105223","21.923","0.003","19.069","0.003","23.089","0.003","90","","95.027","0.002","90","","9615","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C87 H108 F30 N16 O9 -","- C87 H108 F30 N16 O9 -","- C348 H432 F120 N64 O36 -","4","1","","Ravikumar, I; Ghosh, Pradyut","Efficient fixation of atmospheric CO2 as carbonate in a capsule of a neutral receptor and its release under mild conditions.","Chemical communications (Cambridge, England)","2010","46","7","1082","1084","10.1039/b915661e","","","0.71073","MoKα","","0.0501","0.0386","","","0.1062","0.1168","","","","","","0.85","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105236","15.5185","0.0007","12.9037","0.0006","17.4636","0.0008","90","","105.354","0.001","90","","3372.2","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","(Pt(ICy)2Me2).(CH2Cl2)","","","- C33 H56 Cl2 N4 Pt -","- C33 H56 Cl2 N4 Pt -","- C132 H224 Cl8 N16 Pt4 -","4","1","","Fortman, George C; Scott, Natalie M; Linden, Anthony; Stevens, Edwin D; Dorta, Reto; Nolan, Steven P","Unusual reactivities of N-heterocyclic carbenes upon coordination to the platinum(II)-dimethyl moiety.","Chemical communications (Cambridge, England)","2010","46","7","1050","1052","10.1039/b920482b","","","0.71073","MoKα","","0.0252","0.0196","","","0.044","0.0454","","","","","","1.067","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105353","8.4332","0.0004","15.1537","0.0007","19.7806","0.0009","90","","90.944","0.002","90","","2527.5","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H39 Au F6 P Sb -","- C19 H39 Au F6 P Sb -","- C76 H156 Au4 F24 P4 Sb4 -","4","1","","Hooper, Thomas N; Green, Michael; Russell, Christopher A","Cationic Au(I) alkyne complexes: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2010","46","13","2313","2315","10.1039/b923900f","","x-ray","0.71074","MoKα","","0.0462","0.0451","","","0.1207","0.1223","","","","","","1.091","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105480","23.7527","0.001","37.5983","0.0015","11.4249","0.0004","90","","95.983","0.002","90","","10147.6","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C86 H92 Cl2 Co2 N10 O4 -","- C86 H92 Cl2 Co2 N10 O4 -","- C344 H368 Cl8 Co8 N40 O16 -","4","1","","Widger, Peter C B; Ahmed, Syud M; Hirahata, Wataru; Thomas, Renee M; Lobkovsky, Emil B; Coates, Geoffrey W","Isospecific polymerization of racemic epoxides: a catalyst system for the synthesis of highly isotactic polyethers.","Chemical communications (Cambridge, England)","2010","46","17","2935","2937","10.1039/b926888j","","","0.71073","MoKα","","0.0781","0.0602","","","0.1522","0.1625","","","","","","1.008","","","","has coordinates","180158","2020-10-21","18:00:00",""
"7105567","8.5113","0.0005","23.0131","0.0015","9.8663","0.0006","90","","115.16","0.001","90","","1749.18","0.19","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","","Chui, C.-H.; Wang, Q.; Chow, W.-C.; Yuen, M. C.-W.; Wong, K.-L.; Kwok, W.-M.; Cheng, G. Y.-M.; Wong, R. S.-M.; Tong, S.-W.; Chan, K.-W.; Lau, F.-Y.; Lai, P. B.-S.; Lam, K.-H.; Fabbri, E.; Tao, X.-M.; Gambari, R.; Wong, W.-Y.","5-(Dimethylamino)-N-(4-ethynylphenyl)-1-naphthalenesulfonamide as a novel bifunctional antitumor agent and two-photon induced bio-imaging probe.","Chemical communications (Cambridge, England)","2010","46","20","3538","3540","10.1039/b926908h","","","0.71073","MoKα","","0.0274","0.0272","","","0.0751","0.0753","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105583","10.1086","0.0018","12.6741","0.0018","14.238","0.002","90","","106.962","0.011","90","","1744.8","0.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Shi, Zongjun; Ren, Yuwei; Li, Bing; Lu, Shenci; Zhang, Wei","CuI-catalyzed photochemical or thermal reactions of 3-(2-azidobenzylidene)lactams. Application to the synthesis of fused indoles.","Chemical communications (Cambridge, England)","2010","46","22","3973","3975","10.1039/c001715a","","","0.71073","MoKα","","0.0512","0.0422","","","0.1213","0.1298","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105802","12.1625","0.0005","17.6971","0.0007","7.3078","0.0003","90","","96.479","0.002","90","","1562.89","0.11","100","","100","","","","","","","","dichloromethane/diethylether","6","C 1 c 1","C -2yc","9","","2-chloro-3-(dimethylamino-methylidenyl)-ind-1-en-1-yl-methylidenyl- dimethylammoniumium tetrafluoroborate","","- C15 H18 B Cl F4 N2 -","- C15 H18 B Cl F4 N2 -","- C60 H72 B4 Cl4 F16 N8 -","4","1","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","0.71073","MoKα","","0.0364","0.0344","","","0.0907","0.0926","","","","","","1.165","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105916","22.9","0.03","9.06","0.011","18.57","0.02","90","","90.78","0.04","90","","3852","8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C160 H184 N8 O40 -","8","2","","Zhi-Hua Chen; Yong-Qiang Zhang; Zhi-Min Chen; Yong Qiang Tu; Fu-Min Zhang","Total Synthesis of (±)-Maistemonine and (±)-Stemonamide","Chem.Commun.","2011","47","","1836","","10.1039/c0cc02612c","","","0.71073","MoKα","","0.0514","0.0394","","","0.0937","0.102","","","","","","1.022","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105924","31.866","0.007","15.441","0.004","12.271","0.004","90","","105.94","0.03","90","","5806","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H20 Ge N5 Te2 -","- C6 H17.75 Ge N5 Te2 -","- C96 H284 Ge16 N80 Te32 -","16","4","","Heimann, Samuel; Holynska, Malgorzata; Dehnen, Stefanie","In situ Ge‒Ge bond formation under ambient conditions: synthesis, characterization and reactivity of organo-functionalized telluridogermanate complexes","Chemical Communications (Cambridge, United Kingdom)","2011","47","6","1881","1883","10.1039/c0cc03727c","","","0.71073","MoKα","","0.0376","0.0329","","","0.0857","0.0911","","","","","","1.056","","","","has coordinates","210888","2020-10-21","18:00:00",""
"7105929","15.095","0.0014","15.8432","0.0015","11.6755","0.0011","90","","104.815","0.007","90","","2699.4","0.4","223","","223","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H44 Ni O2 P2 -","- C25 H44 Ni O2 P2 -","- C100 H176 Ni4 O8 P8 -","4","1","","Timothy Schmeier; Nilay Hazari; Christopher Incarvito; Jevgenij Raskatov","Exploring the Reactions of CO2 with PCP Supported Nickel Complexes","Chem.Commun.","2011","47","","1824","","10.1039/c0cc03898a","","","0.71075","MoKα","","","0.0691","","","","0.1238","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105963","13.33","0.003","15.327","0.003","8.7796","0.0017","90","","131.2","0.02","90","","1349.6","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Zn-Tetrazole","","","- C5 H10 N11 O Zn -","- C5 H10 N11 O Zn -","- C20 H40 N44 O4 Zn4 -","4","1","","Tamas Panda; Pradip Pachfule; Yifei Chen; Jianwen Jiang; Rahul Banerjee","Amino Functionalized Zeolitic Tetrazolate Framework (ZTF) with High Capacity for Storage of Carbon Dioxide","Chem.Commun.","2011","47","","2011","","10.1039/c0cc04169f","","","0.71073","MoKα","","0.0531","0.051","","","0.1283","0.1301","","","","","","1.051","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105989","13.5467","0.0003","24.5577","0.0005","22.819","0.0005","90","","103.153","0.001","90","","7392.2","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H68 N32 Ni2 O10 -","- C64 H68 N32 Ni2 O10 -","- C256 H272 N128 Ni8 O40 -","4","1","","Jiao-Min Lin; Wen-Bin Chen; Xue-Mei Lin; An-Hui Lin; Chang-Yan Ma; Wen Dong; Chang-En Tian","Syntheses, structures and multi-photoluminescence images with confocal microscopy for three 5,5?-azotetrazolate(AZT) based Zn(II) and Ni(II) complexes","Chem.Commun.","2011","47","","2402","","10.1039/c0cc03720f","","","0.71073","MoKα","","0.0541","0.0403","","","0.1034","0.1115","","","","","","0.98","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7106038","19.192","0.004","8.772","0.0018","16.666","0.003","90","","120.71","0.03","90","","2412.3","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 In N O8 -","- C24 H28 In N O8 -","- C96 H112 In4 N4 O32 -","4","1","","Suhyun Jung; Youngmee Kim; Sung-Jin Kim; Tae-Hwan Kwon; Seong Huh; Seongsoon Park","Bio-functionalization of metal-organic frameworks by covalent protein conjugation","Chem.Commun.","2011","47","","2904","","10.1039/c0cc03288c","","","0.71073","MoKα","","0.065","0.0382","","","0.0764","0.0847","","","","","","0.991","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106225","17.6459","0.0012","12.6743","0.0009","15.7555","0.0013","90","","97.081","0.004","90","","3496.8","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H33 N11 O2 S5 U -","- C23 H33 N11 O2 S5 U -","- C92 H132 N44 O8 S20 U4 -","4","1","","Noboru Aoyagi; Kojiro Shimojo; Neil R. Brooks; Ryuji Nagaishi; Hirochika Naganawa; Kristof Van Hecke; Luc Van Meervelt; Koen Binnemans; Takaumi Kimura","Thermochromic properties of low-melting ionic uranyl isothiocyanate complexes","Chem.Commun.","2011","47","","4490","","10.1039/c0cc05550f","","","1.54178","CuKα","","0.0714","0.0637","","","0.1681","0.1756","","","","","","1.021","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106227","22.123","0.003","10.7279","0.0014","18.668","0.003","90","","122.014","0.001","90","","3756.7","0.9","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","[(SIPr)AuCO][SbF6]","","","- C30 H42 Au Cl4 F6 N2 O Sb -","- C30 H42 Au Cl4 F6 N2 O Sb -","- C120 H168 Au4 Cl16 F24 N8 O4 Sb4 -","4","1","","Chandrakanta Dash; Peter Kroll; Muhammed Yousufuddin; Rasika Dias","Isolable, gold carbonyl complexes supported by N-heterocyclic carbenes","Chem.Commun.","2011","47","","4478","","10.1039/c1cc10622h","","","0.71073","MoKα","","0.0282","0.0271","","","0.0677","0.0687","","","","","","1.048","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106490","33.352","0.003","19.288","0.002","40.328","0.003","90","","104.583","0.004","90","","25107","4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","bis(di((+/-)-2,7,12-trimethoxy-3,8,13-tris(3- pyridylmethyloxy)-10,15-dihydro-5H-tribenzo (a,d,g)cyclononane)trissilver(i) perchlorate dimethylsulfoxide clathrate","bis[di{(+/-)-2,7,12-trimethoxy-3,8,13- tris(3-pyridylmethyloxy)-10,15-dihydro-5H-tribenzo [a,d,g]cyclononane}trissilver(I) perchlorate dimethylsulfoxide clathrate","","- C177 H177 Ag6 Cl6 N15 O51 -","- C177 H177 Ag6 Cl6 N15 O51.02 -","- C708 H708 Ag24 Cl24 N60 O204.08 -","4","1","","James J. Henkelis; Tanya K. Ronson; Lindsay P. Harding; Michaele J. Hardie","M3L2 metallo-cryptophanes: [2]catenane and simple cages","Chem.Commun.","2011","47","","6560","","10.1039/c1cc10806a","","","0.71073","MoKα","","0.1459","0.1037","","","0.2446","0.2617","","","","","","1.291","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106500","17.683","0.008","11.118","0.005","13.547","0.006","90","","95.469","0.013","90","","2651","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H24 N2 O7 S -","- C32 H21 N2 O7 S -","- C128 H84 N8 O28 S4 -","4","1","","Goutam Mahata; Sandipan Roy; Kumar Biradh","Separation of isomers of sulfophthalic acid by guest induced host framework formation with 4,4'-bipyridine.","Chem.Commun.","2011","47","","6614","","10.1039/c1cc11481f","","","0.71073","MoKα","","0.1323","0.0789","","","0.1677","0.2082","","","","","","1.084","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106670","17.559","0.0008","15.5831","0.0007","18.4654","0.0008","90","","105.247","0.001","90","","4874.7","0.4","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","C0-Rh-1","4-Phenylpyridine-coordinated rhodium 5,10,15,20-tetraphenylporphyrin chloride","","- C61 H49 Cl N5 O2 Rh -","- C61 H49 Cl N5 O2 Rh -","- C244 H196 Cl4 N20 O8 Rh4 -","4","1","","Takeshi Sakano; Kenji Higashiguchi; Kenji Matsuda","Comparison of Molecular Conductance between Planer and Twisted 4-Phenylpyridine by using Two-dimensional Phase Separation of Tetraphenylporphyrin Templates at Liquid-HOPG Interface","Chem.Commun.","2011","47","","8427","","10.1039/c1cc12041g","","","0.71073","MoKα","","0.0554","0.0373","","","0.0778","0.0846","","","","","","0.922","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106671","17.7891","0.0012","13.8346","0.001","20.6811","0.0019","90","","111.283","0.001","90","","4742.6","0.6","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","C0-Rh-2","4-(2,6-dimethylphenyl)-3-methylpyridine-coordinated rhodium 5,10,15,20-tetraphenylporphyrin chloride","","- C59 H47 Cl N5 O Rh -","- C59 H47 Cl N5 O Rh -","- C236 H188 Cl4 N20 O4 Rh4 -","4","1","","Takeshi Sakano; Kenji Higashiguchi; Kenji Matsuda","Comparison of Molecular Conductance between Planer and Twisted 4-Phenylpyridine by using Two-dimensional Phase Separation of Tetraphenylporphyrin Templates at Liquid-HOPG Interface","Chem.Commun.","2011","47","","8427","","10.1039/c1cc12041g","","","0.71073","MoKα","","0.0589","0.0477","","","0.1254","0.1343","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106696","10.8019","0.0003","10.6151","0.0003","12.6264","0.0003","90","","110.992","0.002","90","","1351.7","0.07","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H15 Br F4 N2 -","- C13 H15 Br F4 N2 -","- C52 H60 Br4 F16 N8 -","4","1","","Michael Muller; Markus Albrecht; Christoph Bannwarth; Gerhard Raabe; Arto Valkonen; Kari Rissanen","From attraction to repulsion: anion-p interactions between bromide and fluorinated phenyl groups","Chem.Commun.","2011","47","","8542","","10.1039/c1cc12667a","","","0.71073","MoKα","","0.0348","0.0311","","","0.0647","0.0661","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7107058","4.67","0.003","24.712","0.003","12.388","0.003","90","","91.024","0.003","90","","1429.4","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 Cl N O4 -","- C14 H14 Cl N O4 -","- C56 H56 Cl4 N4 O16 -","4","1","","Ying Wei; Shaoxia Lin; Juan Zhang; Zaihai Niu; Qiang Fu; Fushun Liang","Halonium-initiated electrophilic cascades of 1-alkenoylcyclopropane carboxamides: efficient access to dihydrofuropyridinones and 3(2H)-furanones","Chem.Commun.","2011","47","","12394","","10.1039/c1cc15319f","","","0.71073","MoKα","","0.0645","0.0435","","","0.1049","0.1191","","","","","","1.003","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107390","13.066","0.003","11.863","0.003","10.534","0.002","90","","98.516","0.003","90","","1614.8","0.6","133","2","133","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Gen-Qiang Chen; Xiang-Ying Tang; Min Shi","HOTf mediated cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes","Chem.Commun.","2012","48","","2340","","10.1039/c2cc17581a","","","0.71073","MoKα","","0.0605","0.0461","","","0.1104","0.1189","","","","","","1.027","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7107495","23.527","0.003","12.3238","0.0013","15.6154","0.0016","90","","105.94","0.002","90","","4353.5","0.8","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H70 Cl Ir N5 Sc -","- C44 H70 Cl Ir N5 Sc -","- C176 H280 Cl4 Ir4 N20 Sc4 -","4","1","","Erli Lu; Qinghai Zhou; Yuxue Li; Jiaxiang Chu; Yaofeng Chen; Xuebing Leng; Jie Sun","Reactivity of scandium terminal imido complexes towards metal halides","Chem.Commun.","2012","48","","3403","","10.1039/c2cc30220a","","","0.71073","MoKα","","0.0311","0.0272","","","0.0626","0.0645","","","","","","1.01","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107550","14.645","0.003","14.514","0.003","11.599","0.002","90","","93.68","0.03","90","","2460.4","0.8","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H34 O4 Pb -","- C24 H34 O4 Pb -","- C96 H136 O16 Pb4 -","4","1","","Drost, Christian; Lönnecke, Peter; Sieler, Joachim","Stannylplumbylenes: bonding between tetravalent tin and divalent lead","Chemical Communications (Cambridge, United Kingdom)","2012","48","31","3778","3780","10.1039/c2cc30687e","","","0.71073","MoKα","","0.0457","0.0383","","","0.0945","0.0996","","","","","","1.062","","","","has coordinates","209515","2020-10-21","18:00:00",""
"7107563","12.7056","0.001","12.6356","0.0011","19.7176","0.0017","90","","95.378","0.004","90","","3151.6","0.5","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)copper(II) ditetrafluoroborate","","- C30 H22 B2 Cu F8 N6 -","- C30 H22 B2 Cu F8 N6 -","- C120 H88 B8 Cu4 F32 N24 -","4","1","","Rebecca Docherty; Floriana Tuna; Colin Kilner; Eric McInnes; Malcolm A.Halcrow","Suppression of the Jahn-Teller distortion in a six-coordinate copper(II) complex by doping it into a host lattice","Chem.Commun.","2012","48","","4055","","10.1039/c2cc30873h","","","0.71073","MoKα","","0.085","0.0718","","","0.196","0.2059","","","","","","1.092","","","","has coordinates,has disorder","209424","2020-10-21","18:00:00",""
"7107564","12.669","0.001","12.5211","0.001","19.4354","0.0016","90","","95.776","0.004","90","","3067.4","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)copper(II) ditetrafluoroborate","","- C30 H22 B2 Cu F8 N6 -","- C30 H22 B2 Cu F8 N6 -","- C120 H88 B8 Cu4 F32 N24 -","4","1","","Rebecca Docherty; Floriana Tuna; Colin Kilner; Eric McInnes; Malcolm A.Halcrow","Suppression of the Jahn-Teller distortion in a six-coordinate copper(II) complex by doping it into a host lattice","Chem.Commun.","2012","48","","4055","","10.1039/c2cc30873h","","","0.71073","MoKα","","0.0765","0.0705","","","0.197","0.2036","","","","","","1.063","","","","has coordinates,has disorder","209424","2020-10-21","18:00:00",""
"7107566","13.5149","0.0004","14.1091","0.0004","27.8446","0.0007","90","","101.356","0.0008","90","","5205.5","0.3","113","","113","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C58 H58 Cl2 N2 O4 P2 Pt2 -","- C58 H53 Cl2 N2 O4 P2 Pt2 -","- C232 H212 Cl8 N8 O16 P8 Pt8 -","4","1","","Katsuhiro Isozaki; Kazuki Ogata; Yusuke Haga; Daisuke Sasano; Tetsuya Ogawa; Hiroki Kurata; Masaharu Nakamura; Takeshi Naota; Hikaru Takaya","Metal array fabrication through self-assembly of Pt-complex-bound amino acids","Chem.Commun.","2012","48","","3936","","10.1039/c2cc17530d","","","0.71075","MoKα","","","0.0223","","","","0.0573","","","","","","1.07","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107743","11.3781","0.0002","18.5161","0.0003","12.4123","0.0002","90","","91.217","0.001","90","","2614.41","0.08","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 Cl2 Fe N4 O10 -","- C21 H24 Cl2 Fe N4 O10 -","- C84 H96 Cl8 Fe4 N16 O40 -","4","1","","Dayoung Song; Jung Mi Lim; Somin Cho; Su-Jin Park; Jaeheung Cho; Dongmin Kang; Sue Goo Rhee; Youngmin You; Wonwoo Nam","A fluorescence turn-on H2O2 probe exhibits lysosome-localized fluorescence signals","Chem.Commun.","2012","48","","5449","","10.1039/c2cc31632c","","","0.71073","MoKα","","0.0344","0.0304","","","0.0802","0.0838","","","","","","0.913","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107844","20.278","0.006","12.748","0.005","19.529","0.009","90","","105.325","0.017","90","","4869","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H28 Eu F24 N2 O9 P -","- C40 H28 Eu F24 N2 O9 P -","- C160 H112 Eu4 F96 N8 O36 P4 -","4","1","","Jorge Alvarez Vicente; Agata Mlonka; Nimal Gunaratne; Malgorzata Swadzba-Kwasny; Peter Nockemann","Phosphine oxide functionalised imidazolium ionic liquids as tuneable ligands for lanthanide complexation","Chem.Commun.","2012","48","","6115","","10.1039/c2cc31544k","","","0.710747","MoKα","","0.1096","0.0865","","","0.1778","0.2101","","","","","","1.182","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107886","12.407","0.004","27.476","0.008","9.607","0.003","90","","110.687","0.006","90","","3063.8","1.6","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H20 F10 N2 O4 -","- C38 H20 F10 N2 O4 -","- C152 H80 F40 N8 O16 -","4","1","","Bernd Schmidt; Berit Topolinski; Phillip Roesch; Dieter Lentz","Electron-poor N-substituted imide-fused corannulenes","Chem.Commun.","2012","48","","6520","","10.1039/c2cc32643d","","","0.71073","MoKα","","0.0648","0.0463","","","0.1139","0.1235","","","","","","1.061","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7108101","4.9737","0.0017","25.022","0.003","11.0111","0.0016","90","","98.48","0.02","90","","1355.4","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H16 Cu2 N4 O8 -","- C24 H16 Cu2 N4 O8 -","- C48 H32 Cu4 N8 O16 -","2","0.5","","Yuan-Chun He; Jin Yang; Guo-Cheng Yang; Wei-Qiu Kan; Jian-Fang Ma","Solid-state single-crystal-to-single-crystal transformation from a 2D layer to a 3D framework mediated by lattice iodine release","Chem.Commun.","2012","48","","7859","","10.1039/c2cc33831a","","","0.71069","MoKα","","0.0947","0.0746","","","0.1781","0.1927","","","","","","1.022","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108127","22.8105","0.0002","19.0153","0.0002","19.9792","0.0002","90","","117.104","0.0004","90","","7714.23","0.13","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H70 B2 F24 Ir N5 -","- C76 H70 B2 F24 Ir N5 -","- C304 H280 B8 F96 Ir4 N20 -","4","1","","Christina Y. Tang; Nicholas Phillips; Joshua I. Bates; Amber L. Thompson; Matthias J. Gutmann; Simon Aldridge","Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes","Chem.Commun.","2012","48","","8096","","10.1039/c2cc33361a","","","0.71073","MoKα","","0.0423","0.036","","0.0866","0.0813","0.0866","","","","","","0.9206","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108128","22.8105","0.0002","19.0153","0.0002","19.9792","0.0002","90","","117.11","0.1","90","","7714","7","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H70 B2 F24 Ir N5 -","- C76 H70 B2 F24 Ir N5 -","- C304 H280 B8 F96 Ir4 N20 -","4","1","","Christina Y. Tang; Nicholas Phillips; Joshua I. Bates; Amber L. Thompson; Matthias J. Gutmann; Simon Aldridge","Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes","Chem.Commun.","2012","48","","8096","","10.1039/c2cc33361a","","neutron","","Neutron","","0.0921","0.0921","","","0.233","0.233","","","","","","1.274","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108316","18.171","0.004","27.492","0.006","27.062","0.005","90","","91.63","0.03","90","","13514","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C88 H184 Br16 Gd N5 O18 Re4 -","- C88 H180 Br16 Gd N5 O18 Re4 -","- C352 H720 Br64 Gd4 N20 O72 Re16 -","4","1","","Jose Martinez-Lillo; Laura Canadillas-Delgado; Joan Cano; Francesc Lloret; Miguel Julve; J.Faus","A heteropentanuclear oxalato-bridged [ReIV4GdIII] complex: synthesis, crystal structure and magnetic properties Attachment c.- Revised_CIF","Chem.Commun.","2012","48","","9242","","10.1039/c2cc33350c","","x-ray","0.738","synchrotron","","0.0702","0.0649","","","0.1719","0.1785","","","","","","1.028","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108482","12.8327","0.0014","7.6792","0.0014","11.9725","0.0014","90","","101.188","0.009","90","","1157.4","0.3","296","","296","","","","","","","","see text","5","C 1 c 1","C -2yc","9","fenobam","","","- C11 H11 Cl N4 O2 -","- C11 H11 Cl N4 O2 -","- C44 H44 Cl4 N16 O8 -","4","1","","Sajesh P. Thomas; K. Nagarajan; T. N. Guru Row","Polymorphism and tautomeric preference in fenobam and the utility of NLO response to detect polymorphic impurities","Chem.Commun.","2012","48","","10559","","10.1039/c2cc34912d","","x-ray","0.71073","MoKα","","0.0286","0.0261","","","0.0604","0.0618","","","","","","1.035","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108710","17.011","0.003","11.399","0.002","23.647","0.005","90","","92.39","0.03","90","","4581.4","1.5","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H74 Cd I2 P2 Pt -","- C43 H74 Cd I2 P2 Pt -","- C172 H296 Cd4 I8 P8 Pt4 -","4","1","","Mengtao Ma; Anastas Sidiropoulos; Lalrempuia Ralte; Andreas Stasch; Cameron Jones","Metal-only Lewis pairs featuring unsupported Pt>M (M = Zn or Cd) dative bonds","Chem.Commun.","2013","49","","48","","10.1039/c2cc37442k","","","0.71073","MoKα","","0.021","0.0192","","","0.0404","0.0413","","","","","","1.027","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108794","17.8295","0.0012","14.3111","0.0014","13.2223","0.0008","90","","129.061","0.002","90","","2619.7","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 N4 O16 Zr -","- C12 H39.61 N4 O15.805 Zr -","- C48 H158.44 N16 O63.22 Zr4 -","4","1","","Francois Guerard; Yong-Sok Lee; Raphael Tripier; Lawrence P. Szajek; Jeffrey R. Deschamps; Martin W. Brechbiel","Investigation of Zr(IV) and 89Zr(IV) complexation with hydroxamates: progress towards designing a better chelator than desferrioxamine B for immuno-PET imaging","Chem.Commun.","2012","49","","1002","","10.1039/c2cc37549d","","","0.71073","MoKα","","0.038","0.0348","","","0.1031","0.1066","","","","","","1.108","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108822","20.6791","0.0007","36.3243","0.0013","34.1575","0.0012","90","","90.429","0.001","90","","25656.8","1.6","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C180 H279 B4 Co13 Fe4 N52 O45.5 -","- C180 H268 B4 Co13 Fe4 N52 O45.5 -","- C720 H1072 B16 Co52 Fe16 N208 O182 -","4","1","","Abhishake Mondal; Sonja Durdevic; Lise-Marie Chamoreau; Yves Journaux; Miguel Julve; Laurent Lisnard; Rodrigue Lescouezec","A cyanide and hydroxo-bridged nanocage: a new generation of coordination clusters","Chemical communications (Cambridge, England)","2013","49","12","1181","1183","10.1039/c2cc38404c","","","0.71073","MoKα","","0.058","0.0453","","","0.1236","0.1346","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109048","12.4906","0.0015","12.063","0.0014","9.5353","0.0012","90","","103.731","0.002","90","","1395.7","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H13 F3 O3 S -","- C13 H13 F3 O3 S -","- C52 H52 F12 O12 S4 -","4","1","","Philipp Selig; Aleksej Turockin; William Raven","Synthesis of highly substituted oxetanes via [2+2] cycloaddition reactions of allenoates catalyzed by a guanidine Lewis base","Chem.Commun.","2013","49","","2930","","10.1039/c3cc40855h","","","0.71073","MoKα","","0.0488","0.0433","","","0.1029","0.1088","","","","","","1.093","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109081","12.036","0.002","14.203","0.003","7.8232","0.0016","90","","91.4","0.03","90","","1337","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","","Huawen Huang; Xiaochen Ji; Wanqing Wu; Huanfeng Jiang","A cascade approach to fused indolizinones through Lewis acid-copper(I) relay catalysis","Chem.Commun.","2013","49","","3351","","10.1039/c3cc40643a","","","0.71073","MoKα","","0.0371","0.0324","","","0.0752","0.0813","","","","","","1.113","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7109169","5.40904","0.00018","12.6594","0.0004","23.2463","0.0008","90","","91.103","0.003","90","","1591.5","0.09","110","0.1","110","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H19 Br2 N -","- C17 H19 Br2 N -","- C68 H76 Br8 N4 -","4","1","","Linda J. McAllister; Carsten Prasang; Joanna P.-W. Wong; Robert J. Thatcher; Adrian C. Whitwood; Bertrand Donnio; Peter O'Brien; Peter B. Karadakov; Duncan W. Bruce","Halogen-bonded liquid crystals of 4-alkoxystilbazoles with molecular iodine: a very short halogen bond and unusual mesophase stability","Chem.Commun.","2013","49","","3946","","10.1039/c3cc41227j","","","0.7107","MoKα","","0.0335","0.0317","","","0.0719","0.073","","","","","","1.048","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109200","11.7908","0.0007","15.1239","0.0006","13.0853","0.0003","90","","100.497","0.004","90","","2294.36","0.17","100","","100","","","","","","","","dichloromethane,diethylether","6","C 1 c 1","C -2yc","9","","","","- C21 H33 B F4 N2 S -","- C21 H33 B F4 N2 S -","- C84 H132 B4 F16 N8 S4 -","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","","0.0566","0.0427","","","0.0964","0.1067","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109206","11.5251","0.0006","14.7912","0.0005","13.2009","0.0005","90","","98.893","0.003","90","","2223.31","0.16","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H33 B F4 N2 O -","- C21 H33 B F4 N2 O -","- C84 H132 B4 F16 N8 O4 -","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","","0.0393","0.034","","","0.0912","0.0943","","","","","","1.129","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109322","16.3906","0.0009","16.5378","0.0009","18.1746","0.0011","90","","100.293","0.001","90","","4847.2","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H48 N4 Na4 O8 -","- C56 H48 N4 Na4 O8 -","- C224 H192 N16 Na16 O32 -","4","1","","Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor","Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation","Chem.Commun.","2013","49","","4992","","10.1039/c3cc40320c","","","0.71073","MoKα","","0.077","0.0618","","","0.1185","0.1262","","","","","","1.025","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109392","24.864","0.0004","24.0808","0.0003","15.1854","0.0003","90","","96.5311","0.0018","90","","9033.2","0.3","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H26 Cl2 O3 S3 -","- C31 H26 Cl2 O3 S3 -","- C372 H312 Cl24 O36 S36 -","12","3","","Michael S. Inkpen; Andrew J. P. White; Tim Albrecht; Nicholas J. Long","Rapid Sonogashira cross-coupling of iodoferrocenes and the unexpected cyclo-oligomerization of 4-ethynylphenylthioacetate","Chem.Commun.","2013","49","","5663","","10.1039/c3cc43116a","","","0.71073","MoKα","","0.0664","0.0489","","","0.1315","0.147","","","","","","1.057","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109393","17.5751","0.001","44.611","0.003","19.336","0.0012","90","","111.063","0.001","90","","14147.3","1.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C109 H103 Cu4 F24 N37 O34 S8 -","- C106 H94 Cu4 F24 N34 O28 S8 -","- C424 H376 Cu16 F96 N136 O112 S32 -","4","1","","Adrian-Mihail Stadler; Christophe Burg; Juan Ramirez; Jean-Marie Lehn","Grid-double-helicate interconversion","Chem.Commun.","2013","49","","5733","","10.1039/c3cc38580a","","","0.71073","MoKα","","0.1256","0.092","","","0.2495","0.2745","","","","","","1.004","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109479","20.627","0.006","9.269","0.003","16.44","0.004","90","","111.186","0.009","90","","2930.7","1.5","110","","110","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H38 N2 Pt2 S2 -","- C32 H38 N2 Pt2 S2 -","- C128 H152 N8 Pt8 S8 -","4","1","","Seowoo Kim; Paul D. Boyle; Matthew S. McCready; Kyle R. Pellarin; Richard J. Puddephatt","Easy activation of the aryl-sulfur bond by platinum(II)","Chem.Commun.","2013","49","","6421","","10.1039/c3cc43303j","","","0.71073","MoKα","","0.0275","0.0239","","","0.0453","0.0464","","","","","","0.997","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109506","8.4231","0.0017","17.513","0.003","20.761","0.004","90","","100.89","0.03","90","","3007.4","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 Ca O26 U2 -","- C18 H6 Ca O26 U2 -","- C72 H24 Ca4 O104 U8 -","4","1","","Hao Wang; Ze Chang; Yue Li; Rong-Mei Wen; Xian-He Bu","Chiral uranyl-organic compounds assembled with achiral furandicarboxylic acid by spontaneous resolution","Chem.Commun.","2013","49","","6659","","10.1039/c3cc42255k","","","0.71073","MoKα","","0.086","0.0636","","","0.0939","0.1012","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109766","11.5834","0.0004","22.5492","0.0007","11.4549","0.0004","90","","120.314","0.002","90","","2582.89","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C124 H132 N4 O12 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.1093","0.0695","","","0.1774","0.2325","","","","","","1.188","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109875","15.031","0.002","30.103","0.005","13.367","0.002","90","","119.837","0.003","90","","5246.5","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H44 N16 Ni2 W -","- C38 H44 N16 Ni2 W -","- C152 H176 N64 Ni8 W4 -","4","1","","Dao-Peng Zhang; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni","Water-controlled synthesis and single-crystal structural transformations of a cyanide-bridged W(IV)-Ni(II) molecular wheel complex and 3D networks","Chem.Commun.","2013","49","","9582","","10.1039/c3cc46063k","","","0.71073","MoKα","","0.1086","0.0849","","","0.229","0.2455","","","","","","1.114","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109935","14.813","0.003","10.59","0.002","10.069","0.002","90","","120.578","0.003","90","","1359.9","0.5","90","","90","","","","","","","","","6","C 1 c 1","C -2yc","9","","2-(1-Methyl-1H-imidazol-3-ium-3-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan -1-ide","","- C8 H8 F6 N2 O4 S2 -","- C8 H8 F6 N2 O4 S2 -","- C32 H32 F24 N8 O16 S8 -","4","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0213","0.0207","","","0.0513","0.0517","","","","","","1.051","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109960","13.3894","0.0008","14.728","0.0009","10.9907","0.0007","90","","96.691","0.002","90","","2152.6","0.2","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H27 Cl2 Fe N4 O2 -","- C19 H27 Cl2 Fe N4 O2 -","- C76 H108 Cl8 Fe4 N16 O8 -","4","1","","Sayanti Chatterjee; Debobrata Sheet; Tapan Kanti Paine","Catalytic and regiospecific extradiol cleavage of catechol by a biomimetic iron complex","Chem.Commun.","2013","49","","10251","","10.1039/c3cc44124e","","","0.71073","MoKα","","0.0231","0.0205","","","0.063","0.0786","","","","","","1.181","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109978","17.002","0.009","8.839","0.005","20.361","0.012","90","","112.614","0.0019","90","","2825","3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H34 N P Si -","- C34 H34 N P Si -","- C136 H136 N4 P4 Si4 -","4","1","","Kano, Naokazu; Yanaizumi, Kazuhide; Meng, Xiangtai; Havare, Nizam; Kawashima, Takayuki","Synthesis of a phosphine imide bearing a hydrosilane moiety, and its water-driven reduction to a phosphine","Chemical Communications (Cambridge, United Kingdom)","2013","49","88","10373","10375","10.1039/c3cc43955k","","","0.7107","MoKα","","0.0529","0.0402","","","0.0354","0.039","","","","","","0.79","","","","has coordinates","275224","2022-05-08","22:07:33",""
"7109987","23.293","0.006","16.237","0.004","8.172","0.002","90","","91.277","0.004","90","","3090","1.3","103.15","","103","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H30 Ce N3 O9 S3 -","- C30 H16 Ce N3 O9 S3 -","- C120 H64 Ce4 N12 O36 S12 -","4","1","","Takashi Kajiwara; Masakazu Higuchi; Akihiro Yuasa; Hideyuki Higashimura; Susumu Kitagawa","One-dimensional alignment of strong Lewis acid sites in a porous coordination polymer","Chem.Commun.","2013","49","","10459","","10.1039/c3cc43384f","","","0.71075","MoKα","","0.0537","0.0514","","","0.141","0.1495","","","","","","1.177","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109988","23.241","0.01","16.264","0.007","8.206","0.004","90","0.006","91.544","0.006","90","0.006","3101","2","103.15","","103","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H30 La N3 O9 S3 -","- C30 H30 La N3 O9 S3 -","- C120 H120 La4 N12 O36 S12 -","4","1","","Takashi Kajiwara; Masakazu Higuchi; Akihiro Yuasa; Hideyuki Higashimura; Susumu Kitagawa","One-dimensional alignment of strong Lewis acid sites in a porous coordination polymer","Chem.Commun.","2013","49","","10459","","10.1039/c3cc43384f","","","0.71075","MoKα","","0.0412","0.0377","","","0.1035","0.1235","","","","","","1.219","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7110127","11.7363","0.0011","6.9251","0.0007","9.3352","0.0011","90","","105.518","0.011","90","","731.06","0.14","123","1","123","1","","","","","","","see text","5","C 1 c 1","C -2yc","9","","","","- C4 H3 Fe O4 P -","- C4 H3 Fe O4 P -","- C16 H12 Fe4 O16 P4 -","4","1","","Cornelia Hunger; Wilfried-Solo Ojo; Susanne Bauer; Shu Xu; Manfred Zabel; Bruno Chaudret; Lise-Marie Lacroix; Manfred Scheer; Celine Nayral; Fabien Delpech","Stoichiometry-controlled FeP nanoparticles synthesized from a single source precursor","Chem.Commun.","2013","49","","11788","","10.1039/c3cc46863a","","x-ray","0.71073","MoKα","","0.0359","0.0284","","","0.0914","0.0931","","","","","","1.101","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110160","12.8504","0.0002","7.6927","0.0001","11.9619","0.0002","90","","101.321","0.001","90","","1159.48","0.03","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Fenobam","","","- C11 H11 Cl N4 O2 -","- C11 H11 Cl N4 O2 -","- C44 H44 Cl4 N16 O8 -","4","1","","Sajesh P. Thomas; Mysore S. Pavan; T. N. Guru Row","Experimental evidence for 'carbon bonding' in the solid state from charge density analysis","Chem.Commun.","2013","50","","49","","10.1039/c3cc47226d","","x-ray","0.71073","MoKα","","0.033","0.02","","","","0.044","","","","","","0.971","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110318","25.7419","0.0004","7.9982","0.0002","14.0165","0.0003","90","","110.646","0.001","90","","2700.5","0.1","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C120 H120 N8 O32 -","8","2","","Penkett, Clive S.; Sims, Rupert O.; French, Richard; Dray, Lauriane; Roome, Stephen J.; Hitchcock, Peter B.","Palladium catalyzed arylation reactions of meta photocycloadducts","Chemical Communications","2004","","17","1932","1933","10.1039/b404816d","","x-ray","0.71073","MoKα","","0.0462","0.038","","","0.0804","0.0844","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110343","35.4086","0.001","10.2025","0.0003","24.5709","0.0008","90","","107.17","0.002","90","","8480.8","0.5","200","2","200","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C78 H60 Cu4 Fe6 N4 O18 P4 S2 -","- C78 H60 Cu4 Fe6 N4 O18 P4 S2 -","- C312 H240 Cu16 Fe24 N16 O72 P16 S8 -","4","1","","Chien-Nan Lin; Wei-Ting Jhu; Minghuey Shieh","Vapochemically and mechanochemically reversible polymerization/depolymerization of S-Fe-Cu carbonyl clusters","Chem.Commun.","2014","50","","1134","","10.1039/c3cc48303g","","","0.71073","MoKα","","0.0319","0.029","","","0.0691","0.0716","","","","","","1.018","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110376","14.821","0.003","14.419","0.003","16.132","0.005","90","","109.087","0.005","90","","3257.9","1.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C6 H38 Cu Mo5 N6 O28 P2 -","- C6 H38 Cu Mo5 N6 O28 P2 -","- C24 H152 Cu4 Mo20 N24 O112 P8 -","4","1","","Lu, Jianjiang; Xu, Yan; Goh, Ngoh K.; Chia, Lian S.","Hydrothermal assembly and structural characterisation of one- and two-dimensional organic/inorganic hybrid materials constructed from diphosphopentamolybdate(VI) clusters and {Cu(en)}2+ complex groups","Chemical Communications","1998","","24","2733","","10.1039/a807617k","","","0.71073","MoKα","","0.0286","0.0267","","0.0696","0.0656","","","","1.019","1.042","1.042","","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110458","6.362","0.006","18.813","0.013","12.552","0.004","90","","91.64","0.06","90","","1501.7","1.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H22 Ag2 N4 O9 S -","- C6 H22 Ag2 N4 O9 S -","- C24 H88 Ag8 N16 O36 S4 -","4","1","","Tong, Ming-Liang; Zheng, Shao-Liang; Chen, Xiao-Ming","Two- and three-dimensional non-interpenetrating open-networks self- assembled by μ4-hexamethylenetetramine (hmt). Syntheses and structures of [Ag2(μ4-hmt)(SO4)(H2O)]·4H2O and [Ag2(μ4-hmt)(μ-O2CMe)]MeCO2·4.5H2O","Chemical Communications","1999","","6","561","","10.1039/a900508k","","","0.71073","MoKα","","0.0266","0.0259","","","0.0658","0.0662","","","","","","1.071","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110551","13.142","0.002","11.987","0.002","22.167","0.003","90","","102.419","0.008","90","","3410.3","0.9","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H27 Cl5 F12 O6 P2 Pd -","- C24 H27 Cl5 F12 O6 P2 Pd -","- C96 H108 Cl20 F48 O24 P8 Pd4 -","4","1","","Gee, Victoria; Guy Orpen, A.; Phetmung, Hirihattaya; Pringle, Paul G.; Pugh, Robert I.","Bis(phospha-adamantyl)alkanes: a new class of very bulky diphosphines","Chemical Communications","1999","","10","901","","10.1039/a902434d","","","0.71073","MoKα","","0.0304","0.0251","","0.0656","0.0558","","","","0.885","0.906","0.906","","","","","has coordinates,has disorder","180219","2020-10-21","18:00:00",""
"7110576","16.3458","0.0017","7.3848","0.0005","6.8236","0.0007","90","","112.032","0.004","90","","763.53","0.12","200","0.1","200","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H4 Mn N8 -","- C4 H4 Mn N8 -","- C16 H16 Mn4 N32 -","4","1","","Manson, Jamie L.; Arif, Atta M.; Miller, Joel S.","MnII(N3)2(pyrazine). A 2-D layered structure consisting of ferromagnetically coupled 1-D {Mn(μ-1,1-N3)2}n chains","Chemical Communications","1999","","16","1479","","10.1039/a903406d","","","0.71073","MoKα","","0.077","0.0625","","","0.1659","0.1823","","","","","","1.038","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110597","10.0444","0.0002","19.407","0.0003","16.3157","0.0001","90","","91.34","0.002","90","","3179.58","0.08","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Cl2 Fe O2 P2 Pd -","- C34 H28 Cl2 Fe O2 P2 Pd -","- C136 H112 Cl8 Fe4 O8 P8 Pd4 -","4","1","","Yeo, Jeremy S. L.; Vittal, Jagadese J.; Andy Hor, T. S.","[PdCl2(dppfO2-O,O′)]: a simple palladium(II) complex with a rare tetrahedral structure","Chemical Communications","1999","","16","1477","","10.1039/a904016a","","","0.71073","MoKα","","0.0713","0.0679","","","0.2104","0.2169","","","","","","1.061","","","","has coordinates,has disorder","180219","2020-10-21","18:00:00",""
"7110641","14.832","0.002","16.45","0.003","26.524","0.004","90","","105.29","0.01","90","","6242.4","1.7","150","","150","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H88 Cl2 Cu4 Fe2 N2 Se8 -","- C44 H88 Cl2 Cu4 Fe2 N2 Se8 -","- C176 H352 Cl8 Cu16 Fe8 N8 Se32 -","4","1","","Lackmann, Jörg; Hauptmann, Ralf; Weißgräber, Stefan; Henkel, Gerald","[NBnMe3]2[Fe2Cu4(SePri)8Cl2] and [NBnMe3]2[Fe3Cu(SePri)6Cl3], novel heterometallic chalcogenolate complexes with dodecahedral and octahedral selenium cages","Chemical Communications","1999","","19","1995","","10.1039/a905134a","","","0.71073","MoKα","","","0.0714","","0.1879","","","","","1.012","","","","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110664","5.619","0.0002","15.8672","0.0006","17.189","0.0007","90","","96.581","0.002","90","","1522.44","0.1","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","6-hexylsulfonyl-2-napthol","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","Kowalik, Janusz; VanDerveer, Donald; Clower, Caroline; Tolbert, Laren M.","Hydrogen bonding and cooperativity effects on the assembly of alkyl- and perfluoroalkyl-sulfonyl naphthols: F···F non-bonded interactions†","Chemical Communications","1999","","19","2007","","10.1039/a905940g","","","0.71073","MoKα","","0.0829","0.0565","","","0.1211","0.1334","","","","","","1.015","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110733","18.243","0.004","10.0941","0.0016","14.012","0.0015","90","0.013","116.552","0.003","90","0.01","2308.1","0.7","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H28 B Cl N6 O W -","- C20 H28 B Cl N6 O W -","- C80 H112 B4 Cl4 N24 O4 W4 -","4","1","","Bartlett, Ian M.; Carlton, Susannah; Connelly, Neil G.; Harding, David J.; Hayward, Owen D.; Guy Orpen, A.; Ray, Christopher D.; Rieger, Philip H.","Structure and bonding in the d4/d3 alkyne redox pairs [WX(CO)(MeCCMe)Tp′]z (X = F, Cl, Br and I; z = 0 and 1): halide stabilisation of electron deficient metal alkyne complexes","Chemical Communications","1999","","23","2403","","10.1039/a907912b","","","0.71073","MoKα","","0.0363","0.0265","","","0.0437","0.0457","","","","","","0.923","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110866","15.632","0.001","9.417","0.001","9.668","0.001","90","","111.1","0.01","90","","1327.8","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Griesbeck, Axel G.; Fiege, Maren; Lex, Johann","Oxazole‒Carbonyl photocycloadditions: selectivity pattern and synthetic route to erythro α-amino, β-hydroxy ketones","Chemical Communications","2000","","7","589","","10.1039/b000578i","","","0.71073","MoKα","","0.1224","0.0505","","","0.0757","0.0961","","","","","","1.108","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110886","6.8583","0.0005","19.607","0.002","8.0977","0.0006","90","0.002","95.323","0.002","90","0.001","1084.21","0.16","173","2","173","2","","","","","","","Bing Luo","4","C 1 c 1","C -2yc","9","99255/BL045","","","- C4 H18 Ga2 N4 -","- C4 H18 Ga2 N4 -","- C16 H72 Ga8 N16 -","4","1","","Luo, Bing; Gladfelter, Wayne L.","1,1-Dimethylhydrazidogallane and a gallium hydrazide with two Ga2N2 rings bridged by two NNMe2 ligands","Chemical Communications","2000","","10","825","","10.1039/b001010n","","","0.71073","MoKα","","0.0364","0.0294","","","0.0612","0.0635","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7111055","22.147","0.004","15.092","0.003","17.352","0.004","90","","115.11","0.03","90","","5252","2","293","2","293","2","","","","","","","selfmade","5","C 1 c 1","C -2yc","9","distannocenium tetrakis(pentafluorophenyl)gallate","","","- C54 H45 F20 Ga Sn2 -","- C54 H45 F20 Ga Sn2 -","- C216 H180 F80 Ga4 Sn8 -","4","1","","Cowley, Alan H.; Macdonald, Charles L. B.; Silverman, Joel S.; Gorden, John D.; Voigt, Andreas","Triple-decker main group cations","Chemical Communications","2001","","2","175","","10.1039/b005425i","","","0.71073","MoKα","","0.1433","0.0631","","0.0968","0.0824","","","","1.344","1.532","1.532","","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111124","22.6251","0.0018","4.8003","0.0004","9.2901","0.0011","90","","101.291","0.005","90","","989.44","0.16","173","","173","","","","","","","","?","4","C 1 c 1","C -2yc","9","","","","- C8 H10 O4 Zn -","- C8 H10 O4 Zn -","- C32 H40 O16 Zn4 -","4","1","","Vela, Michael J.; Snider, Barry B.; Foxman, Bruce M.; Buchholz, Vera; Enkelmann, Volker","Solid-state polymerization of bis(but-3-enoato)zinc: the generation of a stereoregular oligomer","Chemical Communications","2000","","22","2225","","10.1039/b007334m","","","0.71073","MoKα","","","0.0371","","","0.04","","","","","1.1435","1.1435","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111195","37.717","0.003","13.1706","0.0009","13.6264","0.0009","90","","92.372","0.001","90","","6763.2","0.8","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C72 H64 N16 O16 -","- C72 H64 N16 O16 -","- C288 H256 N64 O64 -","4","1","","Huc, Ivan; Maurizot, Victor; Gornitzka, Heinz; Léger, Jean-Michel","Hydroxy-substituted oligopyridine dicarboxamide helical foldamers","Chemical Communications","2002","","6","578","","10.1039/b111612f","","","0.71073","MoKα","","0.0696","0.0547","","","0.13","0.1384","","","","","","1.032","","","","has coordinates,has disorder","180225","2020-10-21","18:00:00",""
"7111238","15.35","0.01","10.28","0.01","19.75","0.02","90","","106.87","0.07","90","","2982","5","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H19 Cl Mo N2 O2 -","- C11 H19 Cl Mo N2 O2 -","- C88 H152 Cl8 Mo8 N16 O16 -","8","2","","Most, Kerstin; Köpke, Sinje; Dall'Antonia, Fabio; Mösch-Zanetti, Nadia C.","The first molybdenum dioxo compounds with η^2^-pyrazolate ligands: crystal structure and oxo transfer properties","Chemical Communications","2002","","16","1676","1677","10.1039/b205420e","","","0.71073","MoKα","","0.022","0.0217","","","0.0545","0.0546","","","","","","1.053","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111299","18.2874","0.0003","20.0934","0.0004","24.9608","0.0005","90","","105.114","0.001","90","","8854.7","0.3","93","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C86 H132 Al2 Li8 N6 O15 -","- C86 H132 Al2 Li8 N6 O15 -","- C344 H528 Al8 Li32 N24 O60 -","4","1","","Copsey, May C.; Jeffery, John C.; Russell, Christopher A.; Slattery, John M.; Straughan, Jennifer A.","Heterobimetallic lithium alkyltriimido aluminate cages containing the [R?Al(NR)3]4? tetraanion (R? = Bun, Et; R = 2-OMeC6H4)Electronic supplementary information (ESI) available: syntheses of 1?4. See http://www.rsc.org/suppdata/cc/b3/b307589c/","Chemical Communications","2003","","18","2356","","10.1039/b307589c","","","1.54184","CuKα","","0.095","0.08","","","0.2047","0.2211","","","","","","1.03","","","","has coordinates,has disorder","180226","2020-10-21","18:00:00",""
"7111509","25.113","0.004","16.946","0.003","15.33","0.003","90","","126.371","0.003","90","","5253","1.6","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","(Co(OH2)2(bipy)2)(NTf2)2(C4mim)(NTf2)","","","- C34 H35 Co F18 N9 O14 S6 -","- C34 H31 Co F18 N9 O14 S6 -","- C136 H124 Co4 F72 N36 O56 S24 -","4","1","","Reichert, W. Matthew; Holbrey, John D.; Vigour, Kate B.; Morgan, Tonya D.; Broker, Grant A.; Rogers, Robin D.","Approaches to crystallization from ionic liquids: complex solvents?complex results, or, a strategy for controlled formation of new supramolecular architectures?","Chemical Communications","2006","","46","4767","","10.1039/b608496f","","","0.71073","MoKα","","0.0581","0.0464","","","0.1147","0.1217","","","","","","1.034","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7112023","21.716","0.004","12.428","0.002","27.774","0.006","90","","111.59","0.03","90","","6970","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Keinan-49 (Galit)","","","- C66 H94 N8 O6 S4 -","- C66 H94 N8 O6 S4 -","- C264 H376 N32 O24 S16 -","4","1","","Galit Parvari; Senthilmurugan Annamalai; Iris Borovoi; Helena Chechik; Mark Botoshansky; Doron Pappo; Ehud Keinan","Multifarenes: new modular cavitands","Chem.Commun.","2014","50","","2494","","10.1039/c3cc48284g","","","0.71073","MoKα","","0.2215","0.0912","","","0.2294","0.2876","","","","","","0.882","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112071","12.01","0.005","14.065","0.005","12.461","0.005","90","","113.96","0.02","90","","1923.5","1.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H33 N3 Pd -","- C19 H33 N3 Pd -","- C76 H132 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","","0.0299","0.026","","","0.0525","0.0542","","","","","","1.01","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112097","22.038","0.002","14.0363","0.0013","25.925","0.003","90","","112.384","0.002","90","","7415.2","1.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H64 F24 N18 P4 Ru2 -","- C62 H64 F24 N18 P4 Ru2 -","- C248 H256 F96 N72 P16 Ru8 -","4","1","","Amlan K. Pal; Philippe D. Ducharme; Garry S. Hanan","Enhanced stereoselectivity in a di-Ru(II) complex of an achiral bis-bidentate ligand","Chem.Commun.","2014","50","","3303","","10.1039/c3cc47856d","","","1.54178","CuKα","","0.0384","0.0382","","","0.1008","0.1011","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112182","7.3437","0.0019","24.282","0.006","5.3533","0.0014","90","","93.061","0.004","90","","953.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H7 Co2 O6 P -","- C8 H7 Co2 O6 P -","- C32 H28 Co8 O24 P4 -","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","","0.0367","0.0341","","","0.0698","0.0705","","","","","","1.005","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112627","16.425","","14.739","","16.609","","90","","90.3","","90","","4020.79","","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H18 N2 O -","- C25 H21 N2 O -","- C200 H168 N16 O8 -","8","2","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic intermolecular beta-C-H alkenylation of alpha-enamino-ketones with simple alkynes","Chem.Commun.","2014","50","","5230","","10.1039/C3CC47556E","","","0.71073","MoKα","","0.2171","0.11","","","0.2471","0.3097","","","","","","1.046","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7112654","16.9694","0.0006","10.1758","0.0006","7.7382","0.0003","90","","92.801","0.003","90","","1334.61","0.11","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C17 H20 O -","- C17 H20 O -","- C68 H80 O4 -","4","1","","Susan M. Stevenson; Eric T. Newcomb; Eric M. Ferreira","C-C bond migration in the cycloisomerization of oxygen-tethered 1,6-enynes","Chem.Commun.","2014","50","","5239","","10.1039/C3CC47499B","","","0.71073","MoKα","","0.0344","0.0323","","","0.0884","0.0898","","","","","","1.064","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112839","21.9917","0.0002","10.8628","0.0001","22.4581","0.0003","90","","118.666","0.001","90","","4707.46","0.1","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H75 Cl Co O16 Ti4 -","- C30 H75 Cl Co O16 Ti4 -","- C120 H300 Cl4 Co4 O64 Ti16 -","4","1","","Eslava, Salvador; Hengesbach, Frank; McPartlin, Mary; Wright, Dominic S.","Heterometallic cobalt(II)-titanium(IV) oxo cages; key building blocks for hybrid materials.","Chemical communications (Cambridge, England)","2010","46","26","4701","4703","10.1039/c0cc00016g","","","0.71073","MoKα","","0.0402","0.0388","","","0.1091","0.1108","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112854","12.937","0.003","23.193","0.005","18.878","0.004","90","","104.04","0.03","90","","5495","2","149","2","149","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H89 Li O Si12 Sn -","- C31 H89 Li O Si12 Sn -","- C124 H356 Li4 O4 Si48 Sn4 -","4","1","","Schrenk, Claudio; Schnepf, Andreas","Sn[Si(SiMe3)3]3- and Sn3[Si(SiMe3)3]4: first insight into the mechanism of the disproportionation of a tin monohalide gives access to the shortest double bond of tin.","Chemical communications (Cambridge, England)","2010","46","36","6756","6758","10.1039/c0cc02367a","","","0.71073","MoKα","","0.0314","0.0299","","","0.0753","0.076","","","","","","1.023","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112866","32.4","0.012","12.936","0.005","23.066","0.015","90","","126.879","0.008","90","","7733","7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C65 H97 F15 N12 O11 S -","- C65 H96 F15 N12 O11 S -","- C260 H384 F60 N48 O44 S4 -","4","1","","Ravikumar, I.; Ghosh, Pradyut","Unusual recognition of (n-Bu4N)2SO4 by a cyanuric acid based host via contact ion-pair interactions.","Chemical communications (Cambridge, England)","2010","46","36","6741","6743","10.1039/c0cc02509g","","","0.71073","MoKα","","0.0715","0.0545","","","0.1468","0.1641","","","","","","1.021","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7113019","24.1742","0.0005","24.4456","0.0007","12.7595","0.0004","90","","93.313","0.002","90","","7527.7","0.4","120","2","120","2","","","","","","","Stephen Moore","5","C 1 c 1","C -2yc","9","","","","- C71 H106 N16 O3 S6 -","- C71 H106 N16 O3 S6 -","- C284 H424 N64 O12 S24 -","4","1","","Busschaert, Nathalie; Gale, Philip A.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell, Jr, William A","Tripodal transmembrane transporters for bicarbonate.","Chemical communications (Cambridge, England)","2010","46","34","6252","6254","10.1039/c0cc01684e","","","0.71069","MoKα","","0.1339","0.0856","","","0.1532","0.1767","","","","","","1.065","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113415","14.492","0.004","14.229","0.004","24.85","0.007","90","","103.181","0.004","90","","4989","2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H43 B F24 N3 Na O -","- C45 H43 B F24 N3 Na O -","- C180 H172 B4 F96 N12 Na4 O4 -","4","1","","Matthew Everett; Andrew Jolleys; William Levason; David Pugh; Gillian Reid","Unexpected neutral aza-macrocycle complexes of sodium","Chem.Commun.","2014","50","","5843","","10.1039/C4CC01407C","","","0.71073","MoKα","","0.087","0.0723","","","0.1613","0.1728","","","","","","1.05","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113803","9.4898","0.0005","21.309","0.001","7.9275","0.0003","90","","107.69","0.004","90","","1527.28","0.13","296.2","","296.2","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 F2 N O -","- C18 H17 F2 N O -","- C72 H68 F8 N4 O4 -","4","1","","Amii, Hideki; Ichihara, Yutaka; Nakagawa, Takashi; Kobayashi, Takeshi; Uneyama, Kenji","Unusual reactions of N-allylic difluoroenamines under thermal conditions","Chemical Communications","2003","","23","2902","","10.1039/b309696c","","","0.7107","MoK=A5a","","","0.0398","","","0.0843","","","","","2.375","2.375","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113807","15.8076","0.0017","19.059","0.002","17.956","0.002","90","","110.554","0.003","90","","5065.4","1","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","(Naphthalen-1-ylmethyl-(1-(6-(1-(naphthalen-1-ylmethylimino)- ethyl) -pyridin-2-yl)-ethylidene)-amine)(1-(6-(1-(Naphthalen-1- ylmethylimino) -ethyl)-pyridin-2-yl)- ethanone)zinc(ii)trifluoromethanesulfonate","(Naphthalen-1-ylmethyl-(1-{6-[1-(naphthalen-1-ylmethylimino)-ethyl] -pyridin-2-yl}-ethylidene)-amine)(1-{6-[1-(Naphthalen-1-ylmethylimino) -ethyl]-pyridin-2-yl}-ethanone)zinc(II)trifluoromethanesulfonate","","- C53 H45 F6 N5 O7 S2 Zn -","- C53 H45 F6 N5 O7 S2 Zn -","- C212 H180 F24 N20 O28 S8 Zn4 -","4","1","","Boiocchi, Massimo; Colucci, Guido; Licchelli, Maurizio; Monzani, Enrico; Sacchi, Donatella","Light-emitting charge transfer species promoted by metal ion coordinationElectronic Supplementary Information (ESI) available: synthesis of ligands I and II; experimental details for spectrophotometric, spectrofluorimetric and NMR determinations; additional figures (Fig. S1 and Fig. S2). See http://www.rsc.org/suppdata/cc/b3/b309148a/","Chemical Communications","2003","","23","2906","","10.1039/b309148a","","","0.71073","MoKα","","0.1415","0.07","","","0.1738","0.2166","","","","","","0.983","","","","has coordinates","180252","2020-10-21","18:00:00",""
"7113934","4.8939","0.0003","32.345","0.0018","8.6013","0.0005","90","","94.4396","0.0011","90","","1357.44","0.14","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","AZUL-4-2","1,2,3,5-tetra(trifluoromethyl)azulene","","- C14 H4 F12 -","- C14 H4 F12 -","- C56 H16 F48 -","4","1","","Tyler T. Clikeman; Eric V. Bukovsky; Igor V. Kuvychko; Long K. San; Shihu H. M. Deng; Xue-Bin Wang; Yu-Sheng Chen; Steven H. Strauss; Olga V. Boltalina","Poly(trifluoromethyl)azulenes: structures and acceptor properties","Chem.Commun.","2014","50","","6263","","10.1039/C4CC00510D","","","0.41328","synchrotron","","0.0499","0.0369","","","0.0963","0.1226","","","","","","1.194","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113996","4.9579","0.0004","25.0785","0.002","10.9881","0.0009","90","","98.068","0.001","90","","1352.7","0.19","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C48 H48 Cu4 N8 O24 -","4","1","","Lu, Jack Y.; Babb, Amy M.","An extremely stable open-framework metal‒organic polymer with expandable structure and selective adsorption capabilityElectronic supplementary information (ESI) available: Figs. S1 and S2: views of propanol inclusion structure. See http://www.rsc.org/suppdata/cc/b2/b200213b/","Chemical Communications","2002","","13","1340","","10.1039/b200213b","","","0.71073","MoKα","","0.0206","0.02","","","0.0524","0.0529","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113997","4.9577","0.0003","24.6312","0.0015","11.2322","0.0007","90","","98.325","0.001","90","","1357.16","0.14","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C48 H32 Cu4 N8 O16 -","4","1","","Lu, Jack Y.; Babb, Amy M.","An extremely stable open-framework metal‒organic polymer with expandable structure and selective adsorption capabilityElectronic supplementary information (ESI) available: Figs. S1 and S2: views of propanol inclusion structure. See http://www.rsc.org/suppdata/cc/b2/b200213b/","Chemical Communications","2002","","13","1340","","10.1039/b200213b","","","0.71073","MoKα","","0.0212","0.0203","","","0.0555","0.0563","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113998","4.9213","0.0003","25.1423","0.0016","10.8011","0.0007","90","","96.92","0.001","90","","1326.71","0.15","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H12 Cu N2 O5 -","- C13 H12 Cu N2 O5 -","- C52 H48 Cu4 N8 O20 -","4","1","","Lu, Jack Y.; Babb, Amy M.","An extremely stable open-framework metal‒organic polymer with expandable structure and selective adsorption capabilityElectronic supplementary information (ESI) available: Figs. S1 and S2: views of propanol inclusion structure. See http://www.rsc.org/suppdata/cc/b2/b200213b/","Chemical Communications","2002","","13","1340","","10.1039/b200213b","","","0.71073","MoKα","","0.0207","0.0193","","","0.0501","0.0513","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113999","5.1186","0.0003","24.6268","0.0013","11.3254","0.0006","90","","100.021","0.001","90","","1405.84","0.13","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 Cu N2 O5 -","- C14 H14 Cu N2 O5 -","- C56 H56 Cu4 N8 O20 -","4","1","","Lu, Jack Y.; Babb, Amy M.","An extremely stable open-framework metal‒organic polymer with expandable structure and selective adsorption capabilityElectronic supplementary information (ESI) available: Figs. S1 and S2: views of propanol inclusion structure. See http://www.rsc.org/suppdata/cc/b2/b200213b/","Chemical Communications","2002","","13","1340","","10.1039/b200213b","","","0.71073","MoKα","","0.0213","0.0201","","","0.053","0.054","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114000","5.1646","0.0004","24.466","0.0017","11.585","0.0008","90","","101.559","0.001","90","","1434.16","0.18","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14.25 H14 Cu N2 O4.75 -","- C14.286 H13.872 Cu N2 O4.762 -","- C57.144 H55.488 Cu4 N8 O19.048 -","4","1","","Lu, Jack Y.; Babb, Amy M.","An extremely stable open-framework metal‒organic polymer with expandable structure and selective adsorption capabilityElectronic supplementary information (ESI) available: Figs. S1 and S2: views of propanol inclusion structure. See http://www.rsc.org/suppdata/cc/b2/b200213b/","Chemical Communications","2002","","13","1340","","10.1039/b200213b","","","0.71073","MoKα","","0.0279","0.0257","","","0.0659","0.0675","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114142","15.949","0.003","8.2517","0.0015","15.587","0.003","90","","113.713","0.002","90","","1878.2","0.6","301","2","301","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H14 Eu N9 O7 -","- C12 H14 Eu N9 O7 -","- C48 H56 Eu4 N36 O28 -","4","1","","Shi, Jing-min; Xu, Wen; Liu, Qing-yun; Liu, Feng-ling; Huang, Zhen-li; Lei, Hong; Yu, Wen-tao; Fang, Qi","Polynitrile-bridged two-dimensional crystal: Eu(iii) complex with strong fluorescence emission and NLO property","Chemical Communications","2002","","7","756","","10.1039/b200894g","","","0.71073","MoKα","","0.0251","0.0247","","","0.0625","0.0629","","","","","","1.031","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114207","8.251","0.0009","15.2479","0.0014","13.8062","0.0014","90","","98.737","0.003","90","","1716.8","0.3","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H23 Cl2 Cu N5 O8 -","- C8 H23 Cl2 Cu N5 O8 -","- C32 H92 Cl8 Cu4 N20 O32 -","4","1","","Podgajny, Robert; Korzeniak, Tomasz; Balanda, Maria; Wasiutynski, Tadeusz; Errington, William; Kemp, Terence J.; Alcock, Nathaniel W.; Sieklucka, Barbara","2-D soft ferromagnet based on [WV(CN)8]3‒ and CuII with a Tc of 34 KElectronic supplementary information (ESI) available: structure of [Cu(tetren)]2+ in 1 and (NC)7W‒CN‒Cu(NC)4 structural motif of 2; table and figures of IR spectra of 1, 2, tetren·5HCl and free tetren. See http://www.rsc.org/suppdata/cc/b2/b202810g/","Chemical Communications","2002","","10","1138","","10.1039/b202810g","","","0.71073","MoKα","","0.0457","0.0407","","","0.1021","0.1076","","","","","","1.074","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114244","17.729","0.004","11.889","0.002","16.456","0.002","90","","116.462","0.01","90","","3105.2","1","143","2","143","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H38 F6 N2 O13 S2 Sr -","- C20 H38 F6 N2 O13 S2 Sr -","- C80 H152 F24 N8 O52 S8 Sr4 -","4","1","","Burai, Lószló; Scopelliti, Rosario; Tóth, Éva","EuII-cryptate with optimal water exchange and electronic relaxation: a synthon for potential pO2 responsive macromolecular MRI contrast agents","Chemical Communications","2002","","20","2366","2367","10.1039/b206709a","","","0.7107","MoKα","","0.0508","0.0477","","","0.118","0.1203","","","","","","1.027","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114547","11.744","0.001","15.226","0.001","11.1345","0.0008","90","","106.851","0.005","90","","1905.5","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H16 Cl4 Co Ga -","- C16 H16 Cl4 Co Ga -","- C64 H64 Cl16 Co4 Ga4 -","4","1","","Scholz, Stefan; Green, Jennifer C.; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","A novel multidecker sandwich complex from the reaction of ferrocene with GaCl3","Chemical Communications","2002","","1","36","","10.1039/b108515h","","","0.71073","MoKα","","0.0755","0.0402","","","0.0514","0.059","","","","","","0.936","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114596","12.7889","0.0002","16.8666","0.0003","16.4852","0.0003","90","","94.486","0.001","90","","3545.05","0.11","122.96","0.18","122.96","0.18","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H49 F6 N2 Ni O P -","- C36 H49 F6 N2 Ni O P -","- C144 H196 F24 N8 Ni4 O4 P4 -","4","1","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0268","0.0258","","","0.0661","0.0671","","","","","","1.059","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114635","44.175","0.009","31.227","0.006","32.536","0.007","90","","115.67","0.03","90","","40452","18","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C182 H193.5 F18 N18 O35 Ru6 S6 -","- C182 H154.5 F18 N18 O35 Ru6 S6 -","- C1456 H1236 F144 N144 O280 Ru48 S48 -","8","2","","Mishra, Anurag; Dubey, Abhishek; Min, Jin Wook; Kim, Hyunuk; Stang, Peter J.; Chi, Ki-Whan","Molecular self-assembly of arene-Ru based interlocked catenane metalla-cages","Chemical Communications (Cambridge, United Kingdom)","2014","50","56","7542","7544","10.1039/c4cc01991a","","","0.80003","synchrotron","","0.1107","0.095","","","0.2487","0.2649","","","","","","1.06","","","","has coordinates","210740","2020-10-21","18:00:00",""
"7114806","8.916","0.005","23.665","0.007","7.924","0.003","90","","107.02","0.03","90","","1598.7","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.0451","0.0375","","0.0983","0.0937","","","","1.01","1.061","1.061","","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114951","14.456","0.002","28.797","0.003","25.34","0.003","90","","91.27","0.02","90","","10546","2","301","2","301","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C108 H97 B2 Cl4 Cu4 F8 P9 -","- C108 H97 B2 Cl4 Cu4 F8 P9 -","- C432 H388 B8 Cl16 Cu16 F32 P36 -","4","1","","Wing-Wah Yam, Vivian; Chung-Chin Cheng, Eddie; Zhu, Nianyong","The first luminescent tetranuclear copper(i) μ4-phosphinidene complex","Chemical Communications","2001","","11","1028","","10.1039/b101284n","","","0.71073","MoKα","","0.0601","0.0513","","","0.1381","0.1484","","","","","","1.028","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7114963","16.2726","0.0004","8.9587","0.0002","39.2903","0.0005","90","","96.253","0.001","90","","5693.7","0.2","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C42 H60 Cl4 F12 N8 O4 P2 Pt -","- C42 H60 Cl4 F12 N8 O4 P2 Pt -","- C168 H240 Cl16 F48 N32 O16 P8 Pt4 -","4","1","","Bondy, Chantelle R.; Loeb, Stephen J.; Gale, Philip A.","Platinum(ii) nicotinamide complexes as receptors for oxo-anions","Chemical Communications","2001","","8","729","","10.1039/b101440o","","","0.71073","MoKα","","0.1062","0.0698","","","0.1518","0.1714","","","","","","1.028","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7115066","9.0705","0.0011","17.621","0.002","12.7949","0.0015","90","","106.061","0.002","90","","1965.2","0.4","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H33 F3 P4 Ru -","- C12 H33 F3 P4 Ru -","- C48 H132 F12 P16 Ru4 -","4","1","","Kirkham, Matthew S.; Mahon, Mary F.; Whittlesey, Michael K.","C‒F bond activation of perfluoroalkenes by ruthenium phosphine hydride complexes: X-ray crystal structures of cis-Ru(dmpe)2F(F‥HF) and [Ru(dcpe)2H]+[(CF3)2CC(O)CF2CF3]−","Chemical Communications","2001","","9","813","","10.1039/b009862k","","","0.71073","MoKα","","0.0335","0.0322","","","0.077","0.0775","","","","","","1.005","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115161","40.78","0.02","15.808","0.005","12.336","0.004","90","","98.48","0.02","90","","7865","5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H84 B5 F20 N5 O8 -","- C68 H84 B4 F16 N5 O12 -","- C272 H336 B16 F64 N20 O48 -","4","1","","Loeb, Stephen J.; Wisner, James A.","[2]Rotaxane molecular shuttles employing 1,2-bis(pyridinium)ethane binding sites and dibenzo-24-crown-8 ethers","Chemical Communications","2000","","19","1939","","10.1039/b004784h","","","0.71073","MoKα","","0.1982","0.0997","","","0.2451","0.2999","","","","","","0.929","","","","has coordinates,has disorder","180265","2020-10-21","18:00:00",""
"7115219","17.802","0.004","14.255","0.004","12.199","0.003","90","","129.34","0.01","90","","2394.2","1.1","173","0.1","173","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H29 Cl N2 O10 -","- C23 H29 Cl N2 O10 -","- C92 H116 Cl4 N8 O40 -","4","1","","Kiviniemi, Sari; Sillanpää, Atte; Lämsä, Markku T.; Pursiainen, Jouni; Nissinen, Maija; Rissanen, Kari","Polar crystals with one-dimensional arrays from achiral components: crystal structures of 2:2 complexes of dibenzo-18-crown-6‒imidazolium and pyrazolium perchlorates","Chemical Communications","1999","","10","897","","10.1039/a902014d","","","0.71073","MoKα","","0.0582","0.042","","","0.115","0.1208","","","","","","1.182","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115220","17.804","0.001","14.131","0.001","12.317","0.001","90","","129.003","0.003","90","","2408.1","0.3","173","0.1","173","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H29 Cl N2 O10 -","- C23 H29 Cl N2 O10 -","- C92 H116 Cl4 N8 O40 -","4","1","","Kiviniemi, Sari; Sillanpää, Atte; Lämsä, Markku T.; Pursiainen, Jouni; Nissinen, Maija; Rissanen, Kari","Polar crystals with one-dimensional arrays from achiral components: crystal structures of 2:2 complexes of dibenzo-18-crown-6‒imidazolium and pyrazolium perchlorates","Chemical Communications","1999","","10","897","","10.1039/a902014d","","","0.71073","MoKα","","0.1318","0.0887","","","0.2289","0.2535","","","","","","1.124","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115282","24.15","0.0004","23.6855","0.0004","23.9678","0.0004","90","","93.9267","0.0014","90","","13677.5","0.4","180","0.14","180","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C55 H113 Co N3 O14 V4 -","- C55 H113 Co N3 O14 V4 -","- C440 H904 Co8 N24 O112 V32 -","8","2","","Andrey Seliverstov; Johannes Forster; Magdalena Heiland; Johannes Unfried; Carsten Streb","The anion-binding polyanion: a molecular cobalt vanadium oxide with anion-sensitive visual response","Chem.Commun.","2014","50","","7840","","10.1039/C4CC03827D","","x-ray","0.71073","MoKα","","0.0633","0.0436","","","0.0926","0.1036","","","","","","1.021","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115285","16.783","0.002","12.416","0.002","15.368","0.002","90","","102.75","0.02","90","","3123.4","0.8","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H45 K O3 -","- C37 H45 K O3 -","- C148 H180 K4 O12 -","4","1","","Jan Klett","Monometalated tribenzotriquinacene: exo and endo coordination of sodium and potassium with a rigid bowl-shaped hydrocarbon anion","Chem.Commun.","2014","50","","7929","","10.1039/C4CC01428F","","","1.54188","CuKα","","0.0202","0.0201","","","0.0485","0.0486","","","","","","1.02","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115289","14.1596","0.0018","22.794","0.003","7.3679","0.0009","90","","118.801","0.002","90","","2083.9","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C14 H14 F6 N2 O6 S2 Si -","- C14 H14 F6 N2 O6 S2 Si -","- C56 H56 F24 N8 O24 S8 Si4 -","4","1","","Alasdair P. M. Robertson; Jordan N. Friedmann; Hilary A. Jenkins; Neil Burford","Exploring structural trends for complexes of Me2E(OSO2CF3)2 (E = Si, Ge, Sn) with pyridine derivatives","Chem.Commun.","2014","50","","7979","","10.1039/C4CC01109K","","","0.71073","MoKα","","0.038","0.031","","","0.0759","0.0783","","","","","","1.134","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115345","18.898","0.004","13.4431","0.0019","17.569","0.003","90","","100.681","0.005","90","","4386","1.3","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H32 B N3 O -","- C23 H32 B N3 O -","- C184 H256 B8 N24 O8 -","8","2","","Ying Kai Loh; Che Chang Chong; Rakesh Ganguly; Yongxin Li; Dragoslav Vidovic; Rei Kinjo","1,2,4,3-Triazaborole-based neutral oxoborane stabilized by a Lewis acid","Chem.Commun.","2014","50","","8561","","10.1039/C4cc03379E","","","0.71073","MoKα","","0.1562","0.0816","","","0.1613","0.227","","","","","","1.029","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115350","34.4472","0.0011","7.3598","0.0002","9.8621","0.0003","90","","98.492","0.002","90","","2472.87","0.13","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O -","- C18 H12 O -","- C144 H96 O8 -","8","2","","Shinaj K. Rajagopal; Abbey M. Philip; Kalaivanan Nagarajan; Mahesh Hariharan","Progressive acylation of pyrene engineers solid state packing and colour via C-H...H-C, C-H...O and pi-pi interactions","Chem.Commun.","2014","50","","8644","","10.1039/C4cc01897D","","","0.71073","MoKα","","0.0489","0.0418","","","0.1111","0.1268","","","","","","1.053","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115522","10.6205","0.0007","16.669","0.0011","15.7534","0.0011","90","","92.271","0.001","90","","2786.7","0.3","153","2","153","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H26 F3 O3 P S -","- C32 H26 F3 O3 P S -","- C128 H104 F12 O12 P4 S4 -","4","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","0.71073","MoKα","","0.0407","0.0343","","","0.0786","0.0816","","","","","","1.033","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115540","34.577","0.0004","16.50703","0.00016","14.29901","0.00015","90","","97.1631","0.001","90","","8097.66","0.15","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36.5 H42.5 N9.5 O9.5 Pd2 -","- C36.5 H42.5 N9.5 O9.5 Pd2 -","- C292 H340 N76 O76 Pd16 -","8","2","","Marina Juribasic; Krunoslav Uzarevic; Davor Gracin; Manda Curic","Mechanochemical C-H bond activation: rapid and regioselective double cyclopalladation monitored by in situ Raman spectroscopy","Chem.Commun.","2014","50","","10287","","10.1039/C4cc04423A","","x-ray","1.5418","CuKα","","","0.0274","","","","0.0828","","","","","","1.102","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7115593","26.342","0.005","19.322","0.004","18.311","0.004","90","","110.59","0.03","90","","8725","4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-methyl-N-(4-oxospiro[cyclohexa[2,5]diene-1,1'-inden]-2'-yl)-N-phenylbenzenesulfonamide","","- C27 H21 N O3 S -","- C27 H21 N O3 S -","- C432 H336 N16 O48 S16 -","16","4","","Fei Pan; Shuang Liu; Chao Shu; Rong-Kun Lin; Yong-Fei Yu; Jin-Mei Zhou; Long-Wu Ye","Gold-catalyzed intermolecular oxidation of o-alkynylbiaryls: an easy and practical access to functionalized fluorenes","Chem.Commun.","2014","50","","10726","","10.1039/C4cc05115G","","","0.71073","MoKα","","0.1044","0.0585","","","0.1457","0.2004","","","","","","1.175","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7116197","12.5601","0.0004","35.993","0.0011","9.2081","0.0003","90","","116.264","0.002","90","","3733","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Complex 5","","","- C39 H60 N3 Nb -","- C39 H60 N3 Nb -","- C156 H240 N12 Nb4 -","4","1","","Obenhuber, A. H.; Gianetti, T. L.; Bergman, R. G.; Arnold, J.","Regioselective [2+2] and [4+2] cycloaddition reactivity in an asymmetric niobium(bisimido) moiety towards unsaturated organic molecules.","Chemical communications (Cambridge, England)","2014","51","7","1278","1281","10.1039/c4cc07851a","","","0.71073","MoKα","","0.0685","0.0477","","","0.0806","0.0886","","","","","","1.017","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116272","15.3778","0.0003","27.5062","0.0005","17.4435","0.0003","90","","102.004","0.002","90","","7217","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","pw3-24","","- C16 H30 Cl5 N4 Sb -","- C16 H30 Cl5 N4 Sb -","- C192 H360 Cl60 N48 Sb12 -","12","3","","Wang, Ze-Ping; Wang, Jin-Yun; Li, Jian-Rong; Feng, Mei-Ling; Zou, Guo-Dong; Huang, Xiao-Ying","[Bmim]2SbCl5: a main group metal-containing ionic liquid exhibiting tunable photoluminescence and white-light emission.","Chemical communications (Cambridge, England)","2015","51","15","3094","3097","10.1039/c4cc08825e","","","0.71073","MoKα","","0.0249","0.0227","","","0.0526","0.0544","","","","","","1","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116371","19.9626","0.0009","4.6037","0.0002","15.3349","0.0006","90","","112.829","0.005","90","","1298.91","0.11","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-methyl-2-(1-phenyl-4H-1,2,4-triazol-1-ium-4-yl)phenolate hydrate","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","","Ming Liu; Martin Nieger; Andreas Schmidt","Mesomericbetaine - N-heterocyclic carbene interconversions of 1,2,4-triazolium-phenolates. Sulfur, selenium, and borane adduct formation","Chem.Commun.","2015","51","","477","","10.1039/C4cc08032G","","","0.71073","MoKα","","0.031","0.0288","","","0.0694","0.0704","","","","","","1.042","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116420","15.0371","0.0015","7.5273","0.0008","13.1615","0.0014","90","","108.431","0.004","90","","1413.3","0.3","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H17 B Cl2 N2 -","- C13 H17 B Cl2 N2 -","- C52 H68 B4 Cl8 N8 -","4","1","","Holger Braunschweig; Christina Claes; Alexander Damme; Andrea Deissenberger; Rian D. Dewhurst; Christian Horl; Thomas Kramer","A facile and selective route to remarkably inert monocyclic NHC-stabilized boriranes","Chem.Commun.","2015","51","","1627","","10.1039/C4cc09036E","","","0.71073","MoKα","","0.0312","0.0298","","","0.0721","0.0729","","","","","","1.033","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116859","14.2782","0.0005","24.4176","0.0006","22.8717","0.0007","90","","90.634","0.003","90","","7973.5","0.4","170","","170","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84.47 H84.47 Li0.87 N16.49 O2 U -","- C84.392 H84.392 Li0.8696 N16.4784 O2 U -","- C337.568 H337.568 Li3.4784 N65.9136 O8 U4 -","4","1","","Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love","Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination","Chem.Commun.","2015","51","","5876","","10.1039/C5cc00867K","","","0.71073","MoKα","","0.0762","0.0513","","","0.0948","0.1026","","","","","","1.001","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116860","14.427","0.005","24.602","0.005","23.182","0.005","90","0.005","90.881","0.005","90","0.005","8227","4","170","2","170","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62 H62 B0 N12 Na O2 U -","- C62 H62 N12 Na O2 U -","- C248 H248 N48 Na4 O8 U4 -","4","1","","Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love","Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination","Chem.Commun.","2015","51","","5876","","10.1039/C5cc00867K","","","0.71073","MoKα","","0.0908","0.0646","","","0.1538","0.1659","","","","","","0.991","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7117247","14.907","0.0008","15.9956","0.0009","18.4249","0.001","90","","99.438","0.003","90","","4333.9","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H42 Br1.81 Cl2.18 N6 Pd2 -","- C44 H42 Br1.814 Cl2.186 N6 Pd2 -","- C176 H168 Br7.256 Cl8.744 N24 Pd8 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0236","0.021","","","0.0481","0.049","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117300","24.349","0.005","9.2334","0.0018","16.959","0.003","90","","119.41","0.03","90","","3321.4","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cu(I) complex","","- C12 H18 Cu2 N10 O0.5 -","- C12 H18 Cu2 N10 O0.5 -","- C96 H144 Cu16 N80 O4 -","8","2","","Chao Huang; Jie Wu; Chuanjun Song; Ran Ding; Yan Qiao; Hongwei Hou; Junbiao Chang; Yaoting Fan","Reversible conversion of valence-tautomeric copper metal-organic frameworks dependent single-crystal-to-single-crystal oxidation/reduction: a redox-switchable catalyst for C-H bonds activation reaction","Chem.Commun.","2015","51","","10353","","10.1039/C5cc02432C","","","0.71073","MoKα","","0.038","0.0357","","","0.0879","0.0899","","","","","","1.078","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117376","11.1923","0.0013","16.4379","0.0019","16.7601","0.0019","90","","101.082","0.0018","90","","3026","0.6","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","3 in manuscript","","","- C30 H58 P2 Pd -","- C30 H58 P2 Pd -","- C120 H232 P8 Pd4 -","4","1","","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","","0.0371","0.0326","","","0.0567","0.0605","","","","","","1.071","","","","has coordinates","139852","2020-10-21","18:00:00",""
"7117558","11.1103","0.0004","19.8612","0.0007","8.6893","0.0003","90","","119.104","0.0015","90","","1675.31","0.11","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H14 Br F2 N -","- C21 H14 Br F2 N -","- C84 H56 Br4 F8 N4 -","4","1","","Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.","Chemical communications (Cambridge, England)","2015","51","62","12419","12422","10.1039/c5cc04091d","","","0.71073","MoKα","","0.0425","0.0329","","","0.0635","0.0666","","","","","","1.011","","","","has coordinates","152966","2020-10-21","18:00:00",""
"7117661","14.1032","0.0006","12.6047","0.0005","12.7139","0.0004","90","","101.172","0.003","90","","2217.28","0.15","123","0.14","123","0.14","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C20 H20 Br Cu Mn4 P4 -","- C20 H20 Br Cu Mn4 P4 -","- C80 H80 Br4 Cu4 Mn16 P16 -","4","1","","Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer","The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds","Chem.Commun.","2015","51","","13474","","10.1039/C5cc04800A","","x-ray","1.54178","CuKα","","0.0409","0.0402","","","0.1244","0.1248","","","","","","1.071","","","","has coordinates,has disorder","171425","2020-10-21","18:00:00",""
"7117686","22.1106","0.0011","8.5517","0.0004","15.1278","0.0007","90","","93.349","0.003","90","","2855.5","0.2","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ABB_AL_128","","- C36 H36 N2 O2 -","- C36 H36 N2 O2 -","- C144 H144 N8 O8 -","4","1","","Anup Bhunia; Shridhar Thorat; Rajesh G. Gonnade; Akkattu T. Biju","Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-Breslow intermediates in their oxidized form","Chem.Commun.","2015","51","","13690","","10.1039/C5cc05800G","","","0.71073","MoKα","","0.1175","0.0907","","","0.2217","0.2444","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117725","8.4273","0.0017","18.696","0.005","14.628","0.003","90","","96.208","0.005","90","","2291.2","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.0815","0.0527","","","0.1089","0.1245","","","","","","0.968","","","","has coordinates","153832","2020-10-21","18:00:00",""
"7117961","13.2514","0.0003","7.0517","0.00019","38.1412","0.0009","90","","91.962","0.002","90","","3562.01","0.15","298","2","298","2","","","","","","","synthetic","5","C 1 c 1","C -2yc","9","Sulfonamide benzoic acid; nicotinamide; 3methoxy 2pyridone","Sulfonamide benzoic acid; nicotinamide; 3methoxy 2pyridone","","- C32 H34 N6 O13 S2 -","- C32 H34 N6 O13 S2 -","- C128 H136 N24 O52 S8 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.0324","0.032","","","0.0851","0.0857","","","","","","1.081","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7118061","26.271","0.004","5.9202","0.0008","21.057","0.003","90","","108.458","0.002","90","","3106.5","0.8","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H34 Cl2 N2 O4 -","- C35 H34 Cl2 N2 O4 -","- C140 H136 Cl8 N8 O16 -","4","1","","Yin Zheng; Youming Wang; Zhenghong Zhou","Organocatalytic multicomponent synthesis of polysubstituted pyrroles from 1,2-diones, aldehydes and arylamines","Chem.Commun.","2015","51","","16652","","10.1039/C5cc05624A","","","0.71073","MoKα","","0.0314","0.0306","","","0.0813","0.082","","","","","","0.997","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7118176","7.74284","0.00013","17.2689","0.0002","8.39473","0.00013","90","","91.1751","0.0015","90","","1122.23","0.03","120","1","120","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H13 F -","- C15 H13 F -","- C60 H52 F4 -","4","1","","Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade","Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism","Chem.Commun.","2016","52","","202","","10.1039/c5cc08950F","","x-ray","1.54184","CuKα","","0.0258","0.0255","","","0.0654","0.0656","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118410","31.6051","0.0011","13.3823","0.0005","24.6753","0.0007","90","","90.155","0.003","90","","10436.4","0.6","171.9","","171.9","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C95.5 H129.25 F12 N3.75 O24 P2 -","- C92 H124 F12 N2 O24 P2 -","- C368 H496 F48 N8 O96 P8 -","4","1","","Danyu Xia; Peifa Wei; Bingbing Shi; Feihe Huang","A pillar[6]arene-based [2]pseudorotaxane in solution and in the solid state and its photo-responsive self-assembly behavior in solution","Chem.Commun.","2016","52","","513","","","","","0.71073","MoKα","","0.0683","0.058","","","0.1495","0.161","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118783","13.97","0.006","25.545","0.01","8.975","0.004","90","","97.362","0.005","90","","3176","2","108","","108","","","","","","","","","5","C 1 c 1","C -2yc","9","","1_Pen","","- C30 H50 O4 Rh2 S2 -","- C30 H50 O4 Rh2 S2 -","- C120 H200 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Matsuba, Kengo; Akimoto, Masataka; Nozaki, Tomonori; Matsumoto, Takahiro; Isobe, Kiyoshi; Irie, Masahiro; Ogo, Seiji","Photoinduced bending of rod-like millimetre-size crystals of a rhodium dithionite complex with n-pentyl moieties.","Chemical communications (Cambridge, England)","2016","52","23","4349","4352","10.1039/c6cc00059b","","","0.71075","MoKα","","0.0338","0.0311","","","0.0649","0.0664","","","","","","1.061","","","","has coordinates","181574","2020-10-21","18:00:00",""
"7118995","20.611","0.005","31.842","0.008","8.872","0.002","90","","104.307","0.005","90","","5642","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H75 Cl N10 O14 -","- C50 H75 Cl N10 O14 -","- C200 H300 Cl4 N40 O56 -","4","1","","Liguo Ji; Zaiwen Yang; Yanxia Zhao; Meng Sun; Liping Cao; Xiao-Juan Yang; Yao-Yu Wang; Biao Wu","Sandwich phosphate complexes of macrocyclic tris(urea) ligands and their rotation around the anion","Chem.Commun.","2016","52","","7310","","","","","0.71073","MoKα","","0.0613","0.0474","","","0.1296","0.1475","","","","","","1.028","","","","has coordinates","183178","2020-10-21","18:00:00",""
"7119042","8.5603","0.0003","22.813","0.0007","17.3998","0.0006","90","","94.2688","0.0017","90","","3388.5","0.2","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H42 O4 S3 -","- C35 H42 O4 S3 -","- C140 H168 O16 S12 -","4","1","","Jia-Jia Zhao; Man Tang; Hong-Hao Zhang; Meng-Meng Xu; Feng Shi","Bronsted acid-catalyzed chemodivergent reactions of ortho-mercaptobenzyl alcohols with 3-alkyl-2-vinylindoles and styrenes: [5+2] cyclization versus hydroxysulfenylation","Chem.Commun.","2016","52","","5953","","","","","0.71073","MoKα","","0.0417","0.0308","","","0.066","0.0712","","","","","","1.022","","","","has coordinates","183983","2020-10-21","18:00:00",""
"7119112","17.753","0.003","16.394","0.004","9.6378","0.0011","90","","120.355","0.007","90","","2420.5","0.8","158","2","158","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H29 Cl N4 O2 S -","- C23 H29 Cl N4 O2 S -","- C92 H116 Cl4 N16 O8 S4 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0761","0.0506","","","0.1046","0.1166","","","","","","1.101","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119306","8.7763","0.0009","18.341","0.002","19.844","0.002","90","","100.092","0.004","90","","3144.8","0.6","172","2","172","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H14 O2 S -","- C20 H14 O2 S -","- C160 H112 O16 S8 -","8","2","","Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.","Chemical communications (Cambridge, England)","2017","53","9","1463","1466","10.1039/c6cc09892d","","","0.71073","MoKα","","0.0842","0.0469","","","0.0747","0.0861","","","","","","1.007","","","","has coordinates","191500","2020-10-21","18:00:00",""
"7119445","6.522","0.003","19.035","0.008","20.25","0.008","90","","92.66","0.006","90","","2511.3","1.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H21 F N4 O4 -","- C31 H21 F N4 O4 -","- C124 H84 F4 N16 O16 -","4","1","","Xu, Hui; Zhou, Bei; Zhou, Pan; Zhou, Jie; Shen, Yuehai; Yu, Fu-Chao; Lu, Ling-Ling","Insights into the unexpected chemoselectivity in Brønsted acid catalyzed cyclization of isatins with enaminones: convenient synthesis of pyrrolo[3,4-c]quinolin-1-ones and spirooxindoles","Chemical Communications (Cambridge, United Kingdom)","2016","52","51","8002","8005","10.1039/c6cc02659a","","","0.71073","MoKα","","0.1205","0.0554","","","0.1024","0.1328","","","","","","0.987","","","","has coordinates","209519","2020-10-21","18:00:00",""
"7119511","16.876","0.002","6.7764","0.0008","10.1613","0.0013","90","","93.36","0.007","90","","1160","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge2 Hg Li4 S7 -","- Ge2 Hg Li4 S7 -","- Ge8 Hg4 Li16 S28 -","4","1","","Wu, Kui; Yang, Zhihua; Pan, Shilie","The first quaternary diamond-like semiconductor with 10-membered LiS4 rings exhibiting excellent nonlinear optical performances.","Chemical communications (Cambridge, England)","2017","53","21","3010","3013","10.1039/c6cc09565h","","","0.71073","MoKα","","0.0204","0.0191","","","0.0386","0.039","","","","","","0.876","","","","has coordinates","194986","2020-10-21","18:00:00",""
"7119604","26.557","0.004","5.7283","0.0009","8.4734","0.0014","90","","105.676","0.003","90","","1241.1","0.3","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H11 Cl O S -","- C14 H11 Cl O S -","- C56 H44 Cl4 O4 S4 -","4","1","","Zhang, Yuexia; Wong, Zeng Rong; Wu, Xingxing; Lauw, Sherman J. L.; Huang, Xuan; Webster, Richard D.; Chi, Yonggui Robin","Sulfoxidation of alkenes and alkynes with NFSI as a radical initiator and selective oxidant.","Chemical communications (Cambridge, England)","2016","53","1","184","187","10.1039/c6cc08631d","","","0.71073","MoKα","","0.0291","0.0265","","","0.0624","0.0639","","","","","","1.059","","","","has coordinates","191446","2020-10-21","18:00:00",""
"7119637","12.998","0.0009","11.2086","0.0008","14.9044","0.001","90","","104.191","0.003","90","","2105.1","0.3","100","","100","","","","","","","","see text","5","C 1 c 1","C -2yc","9","","","","- C22 H24 Br2 N2 Pd -","- C22 H24 Br2 N2 Pd -","- C88 H96 Br8 N8 Pd4 -","4","1","","Jandl, Christian; Pöthig, Alexander","A hybrid carbocyclic/N-heterocyclic carbene ligand.","Chemical communications (Cambridge, England)","2017","53","13","2098","2101","10.1039/c6cc08468k","","x-ray","0.71073","MoKα","","0.016","0.0154","","","0.0372","0.0373","","","","","","1.077","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7119711","10.2651","0.0016","22.732","0.003","15.116","0.002","90","","100.724","0.006","90","","3465.7","0.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H49 N3 Sn -","- C39 H49 N3 Sn -","- C156 H196 N12 Sn4 -","4","1","","Janes, Trevor; Zatsepin, Pavel; Song, Datong","Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.","Chemical communications (Cambridge, England)","2017","53","21","3090","3093","10.1039/c7cc00837f","","","0.71073","MoKα","","0.0601","0.0426","","","0.0672","0.0719","","","","","","0.977","","","","has coordinates","194983","2020-10-21","18:00:00",""
"7120173","11.751","0.002","37.418","0.007","17.055","0.004","90","","109.766","0.002","90","","7057","2","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(PNP)Rh(ZnPh)(Ph)","","- C38 H50 N P2 Rh Zn -","- C38 H50 N P2 Rh Zn -","- C304 H400 N8 P16 Rh8 Zn8 -","8","2","","Pell, Christopher J.; Shih, Wei-Chun; Gatard, Sylvain; Ozerov, Oleg V.","Formation of (PNP)Rh complexes containing covalent rhodium-zinc bonds in studies of potential Rh-catalysed Negishi coupling","Chem. Commun.","2017","","","","","10.1039/C7CC02707A","","","0.71073","MoKα","","0.0231","0.0225","","","0.0536","0.0542","","","","","","1.006","","","","has coordinates","196913","2020-10-21","18:00:00",""
"7120339","23.0163","0.0007","14.091","0.0003","20.0026","0.0006","90","","105.909","0.002","90","","6238.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H72 Fe Li2 O10 Si4 -","- C64 H72 Fe Li2 O10 Si4 -","- C256 H288 Fe4 Li8 O40 Si16 -","4","1","","Limberg, Christian; Pinkert, Denise; Keck, Matthias; Ghassemi Tabrizi, Shadan; Beckmann, Fabian; Braun, Beatrice; Herwig, Christian; Kaupp, Martin","A High-Spin Square Planar Iron(II)-Siloxide and its Tetrahedral Allogon ‒ Structural and Spectroscopic Models of Fe-Zeolite Sites","Chem. Commun.","2017","","","","","10.1039/C7CC04670G","","","0.71073","MoKα","","0.0623","0.0454","","","0.087","0.0915","","","","","","0.934","","","","has coordinates,has disorder","198144","2020-10-21","18:00:00",""
"7120348","9.2337","0.0017","28.914","0.005","16.672","0.003","90","","102.31","0.003","90","","4348.8","1.3","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C42 H48 Cl2 F6 Ir N6 O0 P -","- C42 H48 Cl2 F6 Ir N6 P -","- C168 H192 Cl8 F24 Ir4 N24 P4 -","4","1","","Li, Yanjun; Lei, Meng; Yuan, Wei; Meggers, E.; Gong, Lei","An N-Heterocyclic Carbene Iridium Catalyst with Metal-Centered Chirality for Enantioselective Transfer Hydrogenation of Imines","Chem. Commun.","2017","","","","","10.1039/C7CC04691J","","","0.71073","MoKα","","0.0364","0.0346","","","0.091","0.092","","","","","","1.002","","","","has coordinates","198183","2020-10-21","18:00:00",""
"7120389","11.4777","0.001","8.9184","0.0007","12.908","0.0009","90","","96.233","0.008","90","","1313.49","0.18","293","2","293.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","He, Chi; Bai, Zengbing; Hu, Jialei; Wang, Bingnan; Xie, Hujun; Yu, Lei; Ding, Hanfeng","A divergent [5+2] cascade approach to bicyclo[3.2.1]octanes: facile synthesis of ent-kaurene and cedrene-type skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC04292B","","","0.71073","MoKα","","0.0419","0.0336","","","0.0712","0.0764","","","","","","1.067","","","","has coordinates","198495","2020-10-21","18:00:00",""
"7120442","5.9696","0.0007","36.72","0.004","10.2124","0.0011","90","","95.401","0.006","90","","2228.7","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,3-bis(selenocyanatomethyl)benzene","","- C10 H8 N2 Se2 -","- C10 H8 N2 Se2 -","- C80 H64 N16 Se16 -","8","2","","Huynh, Huu-Tri; Jeannin, Olivier; Fourmigué, Marc","Organic selenocyanates as strong and directional chalcogen bond donors for crystal engineering","Chem. Commun.","2017","","","","","10.1039/C7CC04833E","","x-ray","0.71073","MoKα","","0.1129","0.0529","","","0.087","0.1","","","","","","1.018","","","","has coordinates","198701","2020-10-21","18:00:00",""
"7120448","17.0618","0.0016","17.018","0.0016","39.546","0.004","90","","96.6221","0.0011","90","","11405.9","1.9","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H82 N2 O7 Si4 Sm2 -","- C42 H82 N2 O7 Si4 Sm2 -","- C336 H656 N16 O56 Si32 Sm16 -","8","2","","Huh, Daniel N.; Kotyk, Christopher Matthew; Gembicky, Milan; Rheingold, Arnold L.; Ziller, Joseph W.; Evans, William J.","Synthesis of Rare-Earth-Metal-in-Cryptand Dications, [Ln(2.2.2-cryptand)]2+, from Sm2+, Eu2+, and Yb2+ Silyl Metallocenes (C5H4SiMe3)2Ln(THF)2","Chem. Commun.","2017","","","","","10.1039/C7CC04396A","","","0.71073","MoKα","","0.094","0.0861","","","0.2063","0.2105","","","","","","1.114","","","","has coordinates,has disorder","198704","2020-10-21","18:00:00",""
"7120468","12.394","0.003","26.081","0.007","8.658","0.003","90","","122.75","0.005","90","","2353.8","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H23 F3 N2 O2 S -","- C26 H23 F3 N2 O2 S -","- C104 H92 F12 N8 O8 S4 -","4","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.0588","0.0455","","","0.101","0.1078","","","","","","0.977","","","","has coordinates","198768","2020-10-21","18:00:00",""
"7120632","17.476","0.0013","13.893","0.0011","8.302","0.0005","90","","96.346","0.004","90","","2003.3","0.2","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Pyrrolo indoles","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Singh, Sukhdev; Butani, Himanshu H.; Vachhani, Dipak D.; shah, Anamik; V. Van der Eycken, erik","Ruthenium-catalysed one-pot regio- and diastereoselective synthesis of pyrrolo[1,2-a]indoles via cascade C-H functionalization/annulation","Chem. Commun.","2017","","","","","10.1039/C7CC06276A","","","0.71073","MoKα","","0.0568","0.0495","","","0.1067","0.1109","","","","","","1.096","","","","has coordinates","200503","2020-10-21","18:00:00",""
"7120713","25.9247","0.0008","13.1773","0.0004","19.0154","0.0006","90","","124.261","0.001","90","","5368.8","0.3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H77 Cl5 N2 O P2 Ru -","- C53 H77 Cl5 N2 O P2 Ru -","- C212 H308 Cl20 N8 O4 P8 Ru4 -","4","1","","Joost, Maximilian; Nava, Matthew Jordan; Transue, Wesley J.; Cummins, Christopher","An exploding N-isocyanide reagent formally composed of anthracene, dinitrogen, and a carbon atom","Chem. Commun.","2017","","","","","10.1039/C7CC06516G","","","0.71073","MoKα","","0.0272","0.0253","","","0.0568","0.0578","","","","","","1.019","","","","has coordinates,has disorder","201327","2020-10-21","18:00:00",""
"7120759","19.7171","0.0008","48.1436","0.0019","22.2536","0.0006","90","","110.35","0.004","90","","19805.8","1.3","150","0.1","150","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C102 H116 Cl3 N11 O9 -","- C75 H40 N11 O9 -","- C600 H320 N88 O72 -","8","2","","Aparicio, Fátima; Faour, Lara; Allain, Magali; Canevet, David; Salle, Marc","Pyrene-functionalized Foldamer: Structural Impact and Recognition Properties supported by Donor-Acceptor Interactions","Chem. Commun.","2017","","","","","10.1039/C7CC07253H","","x-ray","1.54184","CuKα","","0.1154","0.0792","","","0.2173","0.2516","","","","","","0.864","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7120779","24.8822","0.0013","14.2617","0.0008","38.922","0.002","90","","107.382","0.001","90","","13181.2","1.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H101 Ce Cl O14.5 Si3 -","- C46 H101 Ce Cl O14.5 Si3 -","- C368 H808 Ce8 Cl8 O116 Si24 -","8","2","","Friedrich, Jochen; Maichle-moessmer, Caecilia; Anwander, Reiner","Synthesis and derivatisation of ceric tris(tert-butoxy)siloxides","Chem. Commun.","2017","","","","","10.1039/C7CC06499C","","","0.71073","MoKα","","0.0423","0.0371","","","0.0855","0.0883","","","","","","1.036","","","","has coordinates,has disorder","202009","2020-10-21","18:00:00",""
"7120843","15.205","0.002","16.403","0.003","13.947","0.002","90","","102.508","0.005","90","","3395.9","0.9","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H53 N Ni O2 P2 S -","- C32 H53 N Ni O2 P2 S -","- C128 H212 N4 Ni4 O8 P8 S4 -","4","1","","Desnoyer, Addison N.; Chiu, Weiling; Cheung, Candy; Patrick, Brian O.; Love, Jennifer A.","Oxaziridine cleavage with a low-valent nickel complex: competing C‒O and C‒N fragmentation from oxazanickela(ii)cyclobutanes","Chemical Communications","2017","","","","","10.1039/C7CC07690H","","x-ray","0.71073","MoKα","","0.0449","0.0361","","","0.0756","0.079","","","","","","1","","","","has coordinates","202582","2020-10-21","18:00:00",""
"7121144","24.0426","0.0019","14.5938","0.0012","20.3274","0.0016","90","","112.283","0.002","90","","6599.7","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H27 F N4 O2 -","- C44 H27 F N4 O2 -","- C352 H216 F8 N32 O16 -","8","2","","Yu, Ling; Wu, Zhongbin; Xie, Guohua; Zhong, Cheng; Zhu, Zece; Ma, Dongge; Yang, Chuluo","An efficient exciton harvest route for high-performance OLEDs based on aggregation-induced delayed fluorescence.","Chemical communications (Cambridge, England)","2018","54","11","1379","1382","10.1039/c7cc09925h","","","0.71073","MoKα","","0.1197","0.0796","","","0.226","0.2716","","","","","","1.059","","","","has coordinates,has disorder","228589","2020-10-21","18:00:00",""
"7121185","20.679","0.002","25.531","0.002","31.458","0.003","90","","94.48","0.002","90","","16558","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C292 H330 N24 O95 P8 Pd24 -","- C292 H330 N24 O95 P8 Pd24 -","- C584 H660 N48 O190 P16 Pd48 -","2","0.5","","Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy","Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages.","Chemical communications (Cambridge, England)","2018","54","15","1873","1876","10.1039/c8cc00207j","","","0.71073","MoKα","","0.0755","0.0689","","","0.1781","0.1837","","","","","","1.133","","","","has coordinates,has disorder","228431","2020-10-21","18:00:00",""
"7121436","24.3476","0.0013","7.8717","0.0005","8.1932","0.0005","90","","99","0.006","90","","1550.95","0.16","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H18 Br4 N2 Pb -","- C6 H18 Br4 N2 Pb -","- C24 H72 Br16 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Kong, Jintao; Zhao, Sangen; Sun, Zhihua; Wu, Zhenyue; Li, Lina; Luo, Junhua","Highly efficient white-light emission in a polar two-dimensional hybrid perovskite.","Chemical communications (Cambridge, England)","2018","54","32","4053","4056","10.1039/c8cc01663a","","","0.71073","MoKα","","0.0355","0.0311","","","0.0779","0.0812","","","","","","1.042","","","","has coordinates","228083","2020-10-21","18:00:00",""
"7121731","14.348","0.004","8.94","0.003","17.768","0.006","90","","105.637","0.004","90","","2194.8","1.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","ethylbutylamine","ethylbutylamine","","- C6 H15 N -","- C6 H15 N -","- C72 H180 N12 -","12","3","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.0399","0.0362","","","0.0925","0.0947","","","","","","1.071","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121871","12.5136","0.0007","16.67","0.001","16.872","0.0009","90","","108.146","0.003","90","","3344.5","0.3","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H37 I4 N2 P -","- C27 H37 I4 N2 P -","- C108 H148 I16 N8 P4 -","4","1","","Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.","Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.","Chemical communications (Cambridge, England)","2018","54","55","7645","7648","10.1039/c8cc03972k","","","0.71073","MoKα","","0.0313","0.0292","","","0.0757","0.0771","","","","","","1.037","","","","has coordinates","228053","2020-10-21","18:00:00",""
"7121941","14.0512","0.0007","19.1355","0.001","20.4829","0.0011","90","","101.075","0.002","90","","5404.8","0.5","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H82 Dy I3 N12 O9 P4 -","- C24 H82 Dy I3 N12 O9 P4 -","- C96 H328 Dy4 I12 N48 O36 P16 -","4","1","","Canaj, Angelos B.; Singh, Mukesh Kumar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2018","54","59","8273","8276","10.1039/c8cc03929a","","","0.71073","MoKα","","0.0258","0.0241","","","0.0529","0.0536","","","","","","0.982","","","","has coordinates,has disorder","228557","2020-10-21","18:00:00",""
"7121942","14.096","0.0008","19.1099","0.0013","20.5439","0.0013","90","","101.091","0.002","90","","5430.6","0.6","295","","295","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H82 I3 N12 O9 P4 Y -","- C24 H82 I3 N12 O9 P4 Y -","- C96 H328 I12 N48 O36 P16 Y4 -","4","1","","Canaj, Angelos B.; Singh, Mukesh Kumar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2018","54","59","8273","8276","10.1039/c8cc03929a","","","0.71073","MoKα","","0.0463","0.0293","","","0.0541","0.056","","","","","","1.04","","","","has coordinates,has disorder","228557","2020-10-21","18:00:00",""
"7122074","10.914","0.005","21.762","0.01","5.713","0.003","90","","91.119","0.009","90","","1356.6","1.1","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Su, Shikuan; Li, Jianxiong; Sun, Mingming; Zhao, Hongbin; Chen, Yali; Li, Jian","A domino reaction of 2-isocyanophenyloxyacrylate and aryne to synthesize arenes with vicinal olefin and benzoxazole.","Chemical communications (Cambridge, England)","2018","54","69","9611","9614","10.1039/c8cc05735d","","","0.71073","MoKα","","0.0677","0.0533","","","0.1375","0.1538","","","","","","1.089","","","","has coordinates","228213","2020-10-21","18:00:00",""
"7122232","19.4748","0.0009","10.6687","0.0004","23.5138","0.0011","90","","106.023","0.002","90","","4695.7","0.4","96","2","96","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C55 H63 B Rh2 S2 -","- C55 H63 B Rh2 S2 -","- C220 H252 B4 Rh8 S8 -","4","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.031","0.0308","","","0.0777","0.0779","","","","","","1.013","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122259","17.0617","0.0003","10.7421","0.0001","17.4615","0.0003","90","","117.433","0.002","90","","2840.44","0.09","150","0.1","150","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H31 N O P2 -","- C34 H31 N O P2 -","- C136 H124 N4 O4 P8 -","4","1","","Coles, N. T.; Mahon, M. F.; Webster, R. L.","1,1-Diphosphines and divinylphosphines via base catalyzed hydrophosphination.","Chemical communications (Cambridge, England)","2018","54","74","10443","10446","10.1039/c8cc05890c","","x-ray","1.54184","CuKα","","0.0231","0.023","","","0.0616","0.0618","","","","","","1.066","","","","has coordinates","228200","2020-10-21","18:00:00",""
"7122266","8.8353","0.0002","18.9345","0.0004","13.781","0.0003","90","","90.062","0.001","90","","2305.45","0.09","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H15 N15 O12 -","- C13 H15 N15 O12 -","- C52 H60 N60 O48 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","A C-C bonded 5,6-fused bicyclic energetic molecule: exploring an advanced energetic compound with improved performance.","Chemical communications (Cambridge, England)","2018","54","75","10566","10569","10.1039/c8cc05987j","","","1.54178","CuKα","","0.0368","0.0343","","","0.0923","0.095","","","","","","0.951","","","","has coordinates","228180","2020-10-21","18:00:00",""
"7122348","7.9588","0.0002","22.66","0.0004","18.5609","0.0003","90","","90.433","0.001","90","","3347.3","0.12","170","2","170","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H49 B9 N2 O -","- C29 H49 B9 N2 O -","- C116 H196 B36 N8 O4 -","4","1","","Liang, Xuewei; Shen, Yunjun; Zhang, Kang; Liu, Jiyong; Duttwyler, Simon","Rhodium(iii)-catalyzed dehydrogenative dialkenylation of the monocarba-closo-decaborate cluster by regioselective B-H activation.","Chemical communications (Cambridge, England)","2018","54","88","12451","12454","10.1039/c8cc05983g","","","1.34139","GaKα","","0.0341","0.0333","","","0.085","0.0857","","","","","","1.063","","","","has coordinates","228197","2020-10-21","18:00:00",""
"7122481","9.7923","0.0013","17.627","0.002","15.121","0.002","90","","91.028","0.002","90","","2609.6","0.6","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H28 N4 O2 -","- C32 H28 N4 O2 -","- C128 H112 N16 O8 -","4","1","","Geng, Xiao; Wu, Xia; Wang, Can; Zhao, Peng; Zhou, You; Sun, Xuan; Wang, Ling-Jiao; Guan, Wen-Juan; Wu, Yan-Dong; Wu, An-Xin","NaHS·nH<sub>2</sub>O-induced umpolung: the synthesis of 2-acyl-3-aminoindoles from aryl methyl ketones and 2-aminobenzonitriles.","Chemical communications (Cambridge, England)","2018","54","90","12730","12733","10.1039/c8cc07599a","","","0.71073","MoKα","","0.0492","0.0374","","","0.0883","0.0949","","","","","","1.059","","","","has coordinates","228321","2020-10-21","18:00:00",""
"7122582","16.6999","0.001","4.4334","0.0002","17.237","0.0009","90","","101.316","0.002","90","","1251.37","0.11","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H8 I2 N2 O2 -","- C10 H8 I2 N2 O2 -","- C40 H32 I8 N8 O8 -","4","1","","Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin","Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.","Chemical communications (Cambridge, England)","2018","54","96","13571","13574","10.1039/c8cc07787h","","x-ray","0.71073","MoKα","K-L~3~","0.0452","0.0391","","","0.0875","0.09","","","","","","1.036","","","","has coordinates","228578","2020-10-21","18:00:00",""
"7122669","8.812993","0.000045","8.862578","0.000048","8.207642","0.000042","90","","110.105","0.00052","90","","602.003","0.006","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B12 H44 Li4 N4 -","- B3 H11 Li N -","- B12 H44 Li4 N4 -","4","1","","Zheng, Xiongfei; Yang, Yanjing; Li, Mengxuan; Zhao, Fengqi; Gu, Qinfen; Ma, Xiaohua; Guo, Yanhui","Li(NH3)B3H8: A new ionic liquid octahydrotriborate","Chemical Communications","2018","","","","","10.1039/C8CC08300B","powder diffraction","x-ray","0.8271","synchrotron","","0.0289","","","","","","","","1.73","","","","","","","has coordinates","212257","2020-10-21","18:00:00",""
"7123083","6.8764","0.0003","28.8263","0.0015","10.7581","0.0005","90","","91.294","0.001","90","","2131.94","0.18","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H34 B18 Fe N -","- C8 H34 B18 Fe N -","- C32 H136 B72 Fe4 N4 -","4","1","","Buades, Anna B.; Arderiu, Víctor S.; Maxwell, Lindley; Amoza-Davila, Martin; Choquesillo-Lazarte, Duane; Aliaga-Alcalde, Núria; Vinas, Clara; Teixidor, Francesc; Ruiz, Eliseo","Slow Spin Relaxation in a Low-Spin S=1/2 FeIII Carborane Complex","Chemical Communications","2019","","","","","10.1039/C9CC01123D","","","0.82654","","","0.0618","0.061","","","0.1461","0.147","","","","","","1.057","","","","has coordinates","213989","2020-10-21","18:00:00",""
"7123151","12.1102","0.0008","10.042","0.0005","22.5616","0.0011","90","","96.23","0.005","90","","2727.5","0.3","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C41 H25 N3 -","- C41 H25 N3 -","- C164 H100 N12 -","4","1","","Barman, Biswajit K.; Guru, Murali M.; Panda, Gaurav K.; Maji, Biplab; Vijayaraghavan, Ratheesh","Pyrene affixed triazoles: A new class of molecular semiconductors for robust, non-volatile resistive memory devices","Chemical Communications","2019","","","","","10.1039/C8CC10185J","","x-ray","0.71073","MoKα","","0.0623","0.0528","","","0.134","0.1425","","","","","","1.083","","","","has coordinates","214174","2020-10-21","18:00:00",""
"7123337","5.9556","0.0006","27.8","0.003","6.8014","0.0006","90","","98.966","0.003","90","","1112.32","0.19","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H10 N12 O3 -","- C4 H10 N12 O3 -","- C16 H40 N48 O12 -","4","1","","wang, qian; Shao, Yanli; Lu, Ming","Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC01777A","","","0.71073","MoKα","","0.0905","0.049","","","0.0767","0.0869","","","","","","1.041","","","","has coordinates","214801","2020-10-21","18:00:00",""
"7123383","13.1653","0.0012","27.523","0.002","8.5035","0.0007","90","","102.221","0.009","90","","3011.4","0.4","173","0.1","173","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","triangeliphthalide A","","- C36 H40 O6 -","- C36 H40 O6 -","- C144 H160 O24 -","4","1","","Zou, Jian; Chen, Guo-Dong; Zhao, Huan; Wang, Xiao-Xia; Zhang, Zaijun; Qu, Yi-Bo; He, Rong-Rong; So, Kwok-Fai; Yao, Xin-Sheng; Gao, Hao","Triangeliphthalides A-D: Bioactive Phthalide Trimers with New Skeletons from Angelica sinensis and Their Production Mechanism","Chemical Communications","2019","","","","","10.1039/C9CC02681A","","x-ray","1.54184","CuKα","","0.0521","0.0502","","","0.1191","0.1208","","","","","","1.067","","","","has coordinates","214901","2020-10-21","18:00:00",""
"7123482","28","0.006","48.956","0.01","30.81","0.006","90","","105.96","0.03","90","","40605","16","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C104 H120.33 F8 N16 O20.5 Ru4 S2.67 -","- C104 H95.3333 F8 N16 O20.5 Ru4 S2.66667 -","- C1248 H1144 F96 N192 O246 Ru48 S32 -","12","3","","Singh, Jatinder; Kim, Dong Hwan; Kim, Eun-Hee; Singh, Nem; Kim, Hyunuk; Hadiputra, Rizky; Jung, Jaehoon; Chi, Ki-Whan","Selective and quantitative synthesis of a linear [3]catenane by two component coordination-driven self-assembly","Chemical Communications","2019","","","","","10.1039/C9CC03336J","","","0.7","synchrotron","","0.1523","0.1087","","","0.2821","0.3212","","","","","","1.084","","","","has coordinates","215285","2020-10-21","18:00:00",""
"7123544","13.6756","0.0013","15.9188","0.0015","8.9377","0.0008","90","","100.551","0.002","90","","1912.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","1","","Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle","Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC02924A","","x-ray","0.71073","MoKα","","0.0362","0.0356","","","0.1028","0.1041","","","","","","0.888","","","","has coordinates","215503","2020-10-21","18:00:00",""
"7123660","19.1233","0.0013","11.8499","0.0008","8.8509","0.0006","90","","108.543","0.001","90","","1901.6","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0312","0.0309","","","0.0784","0.0786","","","","","","1.068","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123941","16.302","0.0004","31.6317","0.0011","6.8859","0.0003","90","","104.037","0.001","90","","3444.8","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H10 B2 F20 -","- C39 H10 B2 F20 -","- C156 H40 B8 F80 -","4","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","0.71073","MoKα","","0.1235","0.081","","","0.1371","0.1623","","","","","","1.145","","","","has coordinates,has disorder","217353","2020-10-21","18:00:00",""
"7124235","7.524","0.007","14.474","0.013","16.108","0.015","90","","91.52","0.03","90","","1754","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N O6 -","- C20 H17 N O6 -","- C80 H68 N4 O24 -","4","1","","Liang, Yong-Xin; Meng, Xiang-He Meng; Yang, Ming; Mehfooz, Haroon; Zhao, Yu-long","Zn(OAc)2-Catalyzed tandem cyclization of isocyanides, α-diazoketones, and anhydrides: a general route to polysubstituted maleimides","Chemical Communications","2019","","","","","10.1039/C9CC05802H","","","0.71073","MoKα","","0.045","0.0335","","","0.0754","0.0812","","","","","","1.039","","","","has coordinates","218880","2020-10-21","18:00:00",""
"7124516","10.8787","0.0002","19.7204","0.0004","18.0429","0.0004","90","","94.732","0.002","90","","3857.59","0.14","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H46 Cu F6 N6 P -","- C41 H46 Cu F6 N6 P -","- C164 H184 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","","0.0421","0.0407","","","0.1069","0.1079","","","","","","1.083","","","","has coordinates,has disorder","247568","2020-10-21","18:00:00",""
"7124519","13.66","0.0003","14.2151","0.0003","35.8526","0.0009","90","","95.642","0.002","90","","6928.1","0.3","133.15","","133.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H60 N2 P4 S12 -","- C72 H60 N2 P4 S12 -","- C288 H240 N8 P16 S48 -","4","1","","Chivers, Tristram; Edelmann, Frank T.; Liebing , Phil; Hilfert, Liane; Goldhahn , R.; Feneberg, Martin; Swanson, Claudia; kueling, marcel","Catenated and Spirocyclic Polychalcogenides from Potassium Carbonate and Elemental Chalcogens","Chemical Communications","2019","","","","","10.1039/C9CC08347B","","","0.71073","MoKα","","0.0385","0.0351","","","0.0852","0.0879","","","","","","1.054","","","","has coordinates","231063","2020-10-21","18:00:00",""
"7124535","7.582","0.005","29.72","0.02","15.225","0.011","90","","100.104","0.01","90","","3378","4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C104 H160 Cl4 Cu4 N24 O40 Sb4 -","- C104 H160 Cl4 Cu4 N24 O40 Sb4 -","- C104 H160 Cl4 Cu4 N24 O40 Sb4 -","1","0.25","","Lin, Li-Dan; Li, Zhong; Liu, Jin-Hua; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","New type composite MOFs based on high-valent Sb(V)-based units and cuprous-halide clusters","Chemical Communications","2019","","","","","10.1039/C9CC08443F","","","0.71073","MoKα","","0.0458","0.0409","","","0.1043","0.1069","","","","","","1.009","","","","has coordinates","231184","2020-10-21","18:00:00",""
"7124696","10.592","0.002","18.626","0.004","9.119","0.0018","90","","95.24","0.03","90","","1791.5","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H48 Li2 O2 P2 -","- C38 H48 Li2 O2 P2 -","- C76 H96 Li4 O4 P4 -","2","0.5","","Blair, V. L.; Stevens, M. A.; Thompson, C. D.","The importance of the Lewis base in lithium mediated metallation and bond cleavage reaction of allyl amines and allyl phosphines.","Chemical communications (Cambridge, England)","2016","52","52","8111","8114","10.1039/c6cc03947b","","","0.71073","synchrotron","","0.0352","0.0343","","","0.0902","0.0908","","","","","","1.046","","","","has coordinates","234137","2020-10-21","18:00:00",""
"7124789","8.12275","0.00008","19.6409","0.0002","11.31395","0.00011","90","","92.5884","0.001","90","","1803.16","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl (1R*,2S*,5S*,6R*,7S*)-3-[(2,4-dimethoxyphenyl)methyl]-4-oxo-2-(prop-2-en-1-yl)-10-oxa-3-azatricyclo[5.2.1.0^1^,5]dec-8-ene-6-carboxylate","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","1.54184","CuKα","","0.03","0.03","","","0.0799","0.0799","","","","","","1.04","","","","has coordinates","234232","2020-10-21","18:00:00",""
"7125073","31.443","0.002","11.2133","0.0007","21.6617","0.0011","90","","123.21","0.004","90","","6390","0.7","100.15","","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H90 P3 Sb11 -","- C39 H90 P3 Sb11 -","- C156 H360 P12 Sb44 -","4","1","","Jost, Maximilian; Finger, Lars H.; Sundermeyer, Jörg; von Hänisch, Carsten","Simple access to ionic liquids and organic salts containing the phosphaethynolate (PCO(-)) and Zintl (Sb11(3-)) anions.","Chemical communications (Cambridge, England)","2016","52","78","11646","11648","10.1039/c6cc06620h","","","0.71073","MoKα","","0.1089","0.0531","","","0.1205","0.1339","","","","","","0.719","","","","has coordinates,has disorder","234486","2020-10-21","18:00:00",""
"7125160","10.2275","0.0002","35.0736","0.0006","19.991","0.0003","90","","90.758","0.001","90","","7170.4","0.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H52 N2 Na2 O2 -","- C40 H52 N2 Na2 O2 -","- C320 H416 N16 Na16 O16 -","8","2","","Fuentes, M Ángeles; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Mulvey, Robert E.","Revealing the remarkable structural diversity of the alkali metal transfer agents of the trans-calix[2]benzene[2]pyrrolide ligand.","Chemical communications (Cambridge, England)","2016","52","82","12199","12201","10.1039/c6cc07240b","","","1.54184","CuKα","","0.0576","0.0546","","","0.1509","0.1556","","","","","","1.029","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7125180","17.123","0.0006","9.6421","0.0003","27.6291","0.0011","90","","99.283","0.004","90","","4501.9","0.3","120","3","120","3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H54 O2 Si2 Sm -","- C54 H54 O2 Si2 Sm -","- C216 H216 O8 Si8 Sm4 -","4","1","","Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.","SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.","Chemical communications (Cambridge, England)","2016","52","92","13503","13506","10.1039/c6cc07318b","","x-ray","0.71073","MoKα","","0.0726","0.0624","","","0.1514","0.1586","","","","","","1.081","","","","has coordinates","234575","2020-10-21","18:00:00",""
"7125227","10.291","0.003","21.844","0.007","12.742","0.005","90","","106.679","0.018","90","","2743.8","1.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H46 Cl2 N4 Sn -","- C26 H46 Cl2 N4 Sn -","- C104 H184 Cl8 N16 Sn4 -","4","1","","Bertermann, Rüdiger; Braunschweig, Holger; Celik, Mehmet Ali; Dellermann, Theresa; Kelch, Hauke","Cyclisation of biscarbenoids - a novel mode of cyclobutadiene stabilisation.","Chemical communications (Cambridge, England)","2016","52","90","13249","13252","10.1039/c6cc07741b","","","0.71073","MoKα","","0.0137","0.0135","","","0.0344","0.0346","","","","","","1.045","","","","has coordinates","234614","2020-10-21","18:00:00",""
"7125509","20.527","0.0006","11.3091","0.0004","13.0364","0.0004","90","","110.933","0.002","90","","2826.56","0.16","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H40 Cl2 N4 O4 -","- C23 H34 Cl2 N4 O4 -","- C92 H136 Cl8 N16 O16 -","4","1","","Arnold, P. L.; Scarisbrick, A. C.; Blake, A. J.; Wilson, C.","Chelating alkoxy-N-heterocyclic carbene complexes of silver and copper.","Chemical communications (Cambridge, England)","2001","","22","2340","2341","10.1039/b107855k","","","0.71073","MoKα","","0.0993","0.0747","","","0.1935","0.2163","","","","","","1.007","","","","has coordinates","243977","2020-10-21","18:00:00",""
"7125579","18.494","0.001","18.102","0.001","19.214","0.001","90","","106.206","0.003","90","","6176.8","0.6","153","2","153","2","","","","","","","","7","C 1 c 1","C -2yc","9","Disodium Tetrakis(tetramethylammonium) hydrogen undecatungstophosphate octahydrate","","","- C16 H65 N4 Na2 O47 P W11 -","- C16 H48 N4 Na2 O47 P W11 -","- C64 H192 N16 Na8 O188 P4 W44 -","4","1","","Honma, Noritaka; Kusaka, Katsuhiro; Ozeki, Tomoji","Self-assembly of a lacunary alpha-Keggin undecatungstophosphate into a three-dimensional network linked by s-block cations.","Chemical communications (Cambridge, England)","2002","","23","2896","2897","10.1039/b209076g","","","0.3282","synchrotron","","0.0604","0.0543","","","0.1334","0.1385","","","","","","1.084","","","","has coordinates","244059","2020-10-21","18:00:00",""
"7125616","24.087","0.002","9.1915","0.0009","19.165","0.003","90","","124.966","0.002","90","","3477.1","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H44 Cu F6 N2 Sb -","- C34 H44 Cu F6 N2 Sb -","- C136 H176 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.084","0.0449","","","0.0735","0.086","","","","","","1.003","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125685","12.8804","0.0004","9.8767","0.0003","13.8827","0.0005","90","","101.424","0.003","90","","1731.11","0.1","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji","Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers.","Chemical communications (Cambridge, England)","2020","56","10","1485","1488","10.1039/c9cc09376a","","","0.71073","MoKα","","0.0371","0.0348","","","0.0812","0.0826","","","","","","1.055","","","","has coordinates","248798","2020-10-21","18:00:00",""
"7125991","21.948","0.002","8.33062","0.00019","20.7006","0.0008","90","","115.404","0.005","90","","3418.9","0.4","296","","296","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H28 Cl2 N6 Ni O8 S2 -","- C30 H28 Cl2 N6 Ni O8 S2 -","- C120 H112 Cl8 N24 Ni4 O32 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0356","0.0346","","","0.0932","0.0941","","","","","","1.06","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7126469","9.2645","0.0002","22.2327","0.0006","18.2492","0.0005","90","","101.504","0.003","90","","3683.36","0.17","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H14 F3 I O4 -","- C19 H14 F3 I O4 -","- C152 H112 F24 I8 O32 -","8","2","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0554","0.0494","","","0.1195","0.1251","","","","","","1.003","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126491","22.05","0.004","10.76","0.002","9.34","0.002","90","0.03","101.29","0.03","90","0.03","2173.1","0.8","77","","77","","","","","","","","","4","C 1 c 1","C -2yc","9","dPyr PDI","dipyrrolodine perylene diimide","","- C128 H96 N16 O16 -","- C128 H96 N16 O16 -","- C128 H96 N16 O16 -","1","0.25","","Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.","Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.","Chemical communications (Cambridge, England)","2020","56","30","4204","4207","10.1039/d0cc00119h","","","1","electron","","0.2355","0.1991","","","0.4813","0.5085","","","","","","1.423","","","","has coordinates","251492","2020-10-21","18:00:00",""
"7126546","12.2344","0.0017","9.4516","0.0014","27.594","0.004","90","","91.677","0.003","90","","3189.5","0.8","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0446","0.0356","","","0.0831","0.0861","","","","","","1.042","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126549","12.2742","0.0019","9.4757","0.0014","27.688","0.004","90","","92.029","0.004","90","","3218.3","0.8","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0522","0.0382","","","0.0883","0.0951","","","","","","1.025","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126550","12.339","0.003","9.5268","0.0019","27.927","0.006","90","","92.563","0.005","90","","3279.6","1.2","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0884","0.0602","","","0.1408","0.1569","","","","","","1.041","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126551","12.362","0.003","9.5472","0.0018","28.028","0.005","90","","92.689","0.005","90","","3304.3","1.2","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H45 Br O2 S2 Si2 -","- C112 H180 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0964","0.0614","","","0.1442","0.1634","","","","","","1.026","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126553","12.3126","0.0017","9.505","0.0012","27.815","0.004","90","","92.26","0.003","90","","3252.7","0.8","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H45 Br O2 S2 Si2 -","- C28 H44.674 Br O2 S2 Si2 -","- C112 H178.696 Br4 O8 S8 Si8 -","4","1","","Tani, Yosuke; Komura, Mao; Ogawa, Takuji","Mechanoresponsive turn-on phosphorescence by a desymmetrization approach.","Chemical communications (Cambridge, England)","2020","56","50","6810","6813","10.1039/d0cc01949f","","","0.71075","MoKα","","0.0642","0.0447","","","0.1111","0.1184","","","","","","1.024","","","","has coordinates,has disorder","253805","2020-10-21","18:00:00",""
"7126578","23.3194","0.0007","14.8183","0.0003","16.3857","0.0004","90","","129.828","0.001","90","","4348.4","0.2","297","2","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H50 Hg N8 O11 Se4 -","- C32 H50 Hg N8 O11 Se4 -","- C128 H200 Hg4 N32 O44 Se16 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0316","0.0279","","","0.0622","0.0638","","","","","","1.05","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126680","21.34","0.004","19.875","0.003","19.984","0.003","90","","119.218","0.003","90","","7397","2","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C40 H64 Mo2 -","- C40 H64 Mo2 -","- C320 H512 Mo16 -","8","2","","Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.","A dinuclear Mo<sub>2</sub>H<sub>8</sub> complex supported by bulky C<sub>5</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub> ligands.","Chemical communications (Cambridge, England)","2020","56","58","8035","8038","10.1039/d0cc03274c","","","0.71073","MoKα","","0.0707","0.0504","","","0.1225","0.1321","","","","","","1.04","","","","has coordinates","254867","2020-10-21","18:00:00",""
"7126832","16.2392","0.0019","12.0245","0.0016","17.25","0.002","90","","110.696","0.003","90","","3151","0.7","102","2","102","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H35 N3 O5 -","- C35 H35 N3 O5 -","- C140 H140 N12 O20 -","4","1","","Behera, Kanhu Charan; Bag, Bamaprasad","Selective DCP detection with xanthene derivatives by carbonyl phosphorylation.","Chemical communications (Cambridge, England)","2020","56","65","9308","9311","10.1039/d0cc03985c","","","0.71073","MoKα","","0.0297","0.0278","","","0.0639","0.0652","","","","","","1.076","","","","has coordinates","256023","2020-10-21","18:00:00",""
"7126870","17.659","0.011","11.39","0.008","12.836","0.008","90","","115.338","0.016","90","","2333","3","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Co(Me3-TPADP)(N3)(OOC(CH3)3)](ClO4)","","","- C18 H33 Cl Co N7 O6 -","- C18 H33 Cl Co N7 O6 -","- C72 H132 Cl4 Co4 N28 O24 -","4","1","","Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex.","Chemical communications (Cambridge, England)","2020","56","66","9449","9452","10.1039/d0cc03385e","","","0.71073","MoKa","","0.0449","0.0353","","","0.0993","0.109","","","","","","0.844","","","","has coordinates","255995","2020-10-21","18:00:00",""
"7126976","11.9926","0.0006","27.2154","0.0012","20.3121","0.0011","90","","93.071","0.003","90","","6620","0.6","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H74 Cl6 Hg O10 S6 -","- C59 H74 Cl6 Hg O10 S6 -","- C236 H296 Cl24 Hg4 O40 S24 -","4","1","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.0941","0.0583","","","0.1282","0.1453","","","","","","1.025","","","","has coordinates,has disorder","255944","2020-10-21","18:00:00",""
"7127058","18.1583","0.001","17.6762","0.0005","8.0886","0.0005","90","","128.002","0.009","90","","2045.8","0.3","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H22 Fe N O5 S -","- C20 H22 Fe N O5 S -","- C80 H88 Fe4 N4 O20 S4 -","4","1","","Kobayashi, Fumiya; Akiyoshi, Ryohei; Kosumi, Daisuke; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Solvent vapor-induced polarity and ferroelectricity switching.","Chemical communications (Cambridge, England)","2020","56","72","10509","10512","10.1039/d0cc04497k","","x-ray","0.71073","MoKα","","0.0256","0.0235","","","0.062","0.063","","","","","","1.0335","","","","has coordinates,has disorder","257273","2020-10-21","18:00:00",""
"7127125","14.3091","0.0015","14.5181","0.0015","17.5565","0.0018","90","","104.706","0.009","90","","3527.7","0.6","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H14 Co2 N2 O8 -","- C26 H14 Co2 N2 O8 -","- C104 H56 Co8 N8 O32 -","4","1","","Gao, Yajun; Zhang, Mingxing; Chen, Cong; Zhang, Yong; Gu, Yuming; Wang, Qian; Zhang, Wenwei; Pan, Yi; Ma, Jing; Bai, Junfeng","A low symmetry cluster meets a low symmetry ligand to sharply boost MOF thermal stability.","Chemical communications (Cambridge, England)","2020","56","80","11985","11988","10.1039/d0cc04543h","","","1.34139","GaKα","","0.092","0.0492","","","0.0984","0.1156","","","","","","0.884","","","","has coordinates","260663","2021-01-07","04:47:46",""
"7127145","13.7872","0.0005","16.2182","0.0008","9.4765","0.0004","90","","96.759","0.003","90","","2104.25","0.16","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 N O -","- C27 H27 N O -","- C108 H108 N4 O4 -","4","1","","Zhang, Xiao-Wen; Zhang, Hui; Wang, Hu-Chong; Zhu, Ming-Hui; Cong, Hengjiang; Liu, Wen-Bo","Pd-catalyzed arylation/aza-Michael addition cascade to C2-spiroindolines and azabicyclo[3.2.2]nonanones.","Chemical communications (Cambridge, England)","2020","56","80","12013","12016","10.1039/d0cc04935b","","","1.54178","CuKα","","0.0411","0.0403","","","0.105","0.1063","","","","","","1.049","","","","has coordinates","260662","2021-01-07","04:47:39",""
"7127169","12.0981","0.0019","17.5518","0.0019","18.316","0.002","90","","98.538","0.007","90","","3846.2","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 Ho N8 O18 -","- C24 H28 Ho N8 O18 -","- C96 H112 Ho4 N32 O72 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0902","0.058","","","0.155","0.1747","","","","","","1.083","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127170","12.038","0.005","17.562","0.005","18.345","0.007","90","","98.384","0.005","90","","3837","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 Lu N8 O18 -","- C24 H28 Lu N8 O18 -","- C96 H112 Lu4 N32 O72 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.052","0.0415","","","0.1176","0.1255","","","","","","1.071","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127174","12.0002","0.0002","17.5085","0.0003","18.066","0.0004","90","","98.6189","0.0008","90","","3752.9","0.12","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H35 Lu N10 O18 -","- C28 H35 Lu N10 O18 -","- C112 H140 Lu4 N40 O72 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0506","0.0367","","","0.0982","0.1099","","","","","","0.739","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127175","12.0526","0.0019","17.5649","0.0019","18.317","0.002","90","","98.558","0.007","90","","3834.6","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 N8 O18 Tm -","- C24 H28 N8 O18 Tm -","- C96 H112 N32 O72 Tm4 -","4","1","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0955","0.0558","","","0.1491","0.1739","","","","","","0.966","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127177","12.0684","0.0003","17.5403","0.0004","18.0493","0.0004","90","","98.685","0.001","90","","3776.93","0.15","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5.09 H6.36 N1.82 O3.27 Y0.18 -","- C5.09091 H6.36364 N1.81818 O3.27273 Y0.181818 -","- C112 H140 N40 O72 Y4 -","22","5.5","","Prodius, Denis; Klocke, Matthew; Smetana, Volodymyr; Alammar, Tarek; Perez Garcia, Marilu; Windus, Theresa L.; Nlebedim, Ikenna C.; Mudring, Anja-Verena","Rationally designed rare earth separation by selective oxalate solubilization.","Chemical communications (Cambridge, England)","2020","56","77","11386","11389","10.1039/d0cc02270e","","","0.71073","MoKα","","0.0873","0.0556","","","0.1408","0.1592","","","","","","0.949","","","","has coordinates","257243","2020-10-21","18:00:00",""
"7127714","13.8176","0.0003","12.4115","0.0002","23.4669","0.0004","90","","97.207","0.007","90","","3992.71","0.14","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H48 N10 O16 Pd Rh2 S6 -","- C18 H48 N10 O16 Pd Rh2 S6 -","- C72 H192 N40 O64 Pd4 Rh8 S24 -","4","1","","Kouno, Masahiro; Kuwamura, Naoto; Konno, Takumi","Interconversion between square-planar palladium(ii) and octahedral palladium(iv) centres in a sulfur-bridged trinuclear structure.","Chemical communications (Cambridge, England)","2021","57","11","1336","1339","10.1039/d0cc07490j","","","0.71075","MoKα","","0.0258","0.0239","","","0.0606","0.0632","","","","","","1.06","","","","has coordinates","262510","2021-03-05","01:23:44",""
"7127805","17.544","0.005","16.528","0.004","9.324","0.003","90","","113.87","0.007","90","","2472.4","1.2","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H22 Br Cl N2 O2 -","- C28 H22 Br Cl N2 O2 -","- C112 H88 Br4 Cl4 N8 O8 -","4","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.0751","0.0434","","","0.0899","0.1008","","","","","","0.994","","","","has coordinates","262484","2021-03-05","01:19:11",""
"7127807","17.2881","0.0007","16.3136","0.0007","9.3609","0.0004","90","","113.239","0.001","90","","2425.87","0.18","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H23 Br N2 O2 -","- C28 H23 Br N2 O2 -","- C112 H92 Br4 N8 O8 -","4","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.0674","0.0405","","","0.0834","0.0949","","","","","","0.996","","","","has coordinates,has disorder","262484","2021-03-05","01:19:11",""
"7128104","16.823","0.002","6.4449","0.0009","16.163","0.002","90","","111.306","0.004","90","","1632.7","0.4","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ag Ga6 Rb S10 -","- Ag Ga6 Rb S10 -","- Ag4 Ga24 Rb4 S40 -","4","1","","Li, Jia-Nuo; Li, Xiao-Hui; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","New nonlinear optical-active AAgGa<sub>6</sub>S<sub>10</sub> (A = K, Rb, Cs) featuring {[AgGa<sub>6</sub>S<sub>10</sub>]<sup>-</sup>}<sub>\ιnfty </sub> framework and high laser damage threshold.","Chemical communications (Cambridge, England)","2021","57","42","5175","5178","10.1039/d1cc01275d","","","0.71073","MoKα","","0.0216","0.0207","","","0.0412","0.0416","","","","","","0.955","","","","has coordinates","265869","2021-06-05","17:26:12",""
"7128105","16.8278","0.0011","6.4318","0.0004","16.1146","0.001","90","","111.293","0.002","90","","1625.07","0.18","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ag Ga6 K S10 -","- Ag Ga6 K S10 -","- Ag4 Ga24 K4 S40 -","4","1","","Li, Jia-Nuo; Li, Xiao-Hui; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","New nonlinear optical-active AAgGa<sub>6</sub>S<sub>10</sub> (A = K, Rb, Cs) featuring {[AgGa<sub>6</sub>S<sub>10</sub>]<sup>-</sup>}<sub>\ιnfty </sub> framework and high laser damage threshold.","Chemical communications (Cambridge, England)","2021","57","42","5175","5178","10.1039/d1cc01275d","","","0.71073","MoKα","","0.0119","0.0117","","","0.0283","0.0284","","","","","","0.836","","","","has coordinates","265869","2021-06-05","17:26:12",""
"7128106","16.8381","0.0006","6.4655","0.0003","16.2525","0.0006","90","","111.281","0.001","90","","1648.71","0.11","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ag Cs Ga6 S10 -","- Ag Cs Ga6 S10 -","- Ag4 Cs4 Ga24 S40 -","4","1","","Li, Jia-Nuo; Li, Xiao-Hui; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","New nonlinear optical-active AAgGa<sub>6</sub>S<sub>10</sub> (A = K, Rb, Cs) featuring {[AgGa<sub>6</sub>S<sub>10</sub>]<sup>-</sup>}<sub>\ιnfty </sub> framework and high laser damage threshold.","Chemical communications (Cambridge, England)","2021","57","42","5175","5178","10.1039/d1cc01275d","","","0.71073","MoKα","","0.016","0.0157","","","0.0372","0.0374","","","","","","0.831","","","","has coordinates","265869","2021-06-05","17:26:12",""
"7128747","12.0027","0.0004","16.9978","0.0005","21.5539","0.0007","90","","90.59","0.001","90","","4397.2","0.2","100","","100","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C18 H40 Al F20 O4 P Si4 Te4 -","- C18 H40 Al F20 O4 P Si4 Te4 -","- C72 H160 Al4 F80 O16 P4 Si16 Te16 -","4","1","","Fischer, Lukas; Wossidlo, Friedrich; Frost, Daniel; Coles, Nathan T.; Steinhauer, Simon; Riedel, Sebastian; Müller, Christian","One-step methylation of aromatic phosphorus heterocycles: synthesis and crystallographic characterization of a 1-methyl-phosphininium salt.","Chemical communications (Cambridge, England)","2021","57","75","9522","9525","10.1039/d1cc03892c","","","0.71073","MoKα","","0.018","0.0174","","","0.0416","0.0421","","","","","","1.048","","","","has coordinates","269644","2021-10-06","13:56:52",""
"7129134","12.92","","65.967","","18.697","","90","","94.64","","90","","15883.1","","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","Ring","","","- C92 H70 -","- C92 H70 -","- C736 H560 -","8","2","","Du, Pingwu; Wang, Shengda; Huang, Qiang; Wang, Jinyi; Huang, Pingsen; Fang, Pengwei","Precise Membrane Separation of Nanoparticles Using a Microporous Polymer Containing Radially π-Conjugated Molecular Carbocycles","Chemical Communications","2021","","","","","10.1039/D1CC04480J","","","0.71073","synchrotron","","0.0514","0.0452","","","0.1193","0.1226","","","","","","1.029","","","","has coordinates","270011","2021-10-18","21:54:30",""
"7129314","20.1094","0.0018","22.559","0.002","10.5878","0.001","90","","108.37","0.002","90","","4558.4","0.7","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","(p-CF3pyridyl)2RuPc","Phthalocyaninato ruthenium bis(p-trifluoromethylpyridyl)","","- C44 H24 F6 N10 Ru -","- C44 H24 F6 N10 Ru -","- C176 H96 F24 N40 Ru4 -","4","1","","Ishikawa, Yuta; Kameyama, Tatsuya; Torimoto, Tsukasa; Maeda, Hajime; Segi, Masahito; Furuyama, Taniyuki","Red-light-activatable ruthenium phthalocyanine catalysts","Chemical Communications","2021","","","","","10.1039/D1CC06307C","","","1.54178","CuKα","","0.0435","0.0431","","","0.1125","0.1133","","","","","","1.042","","","","has coordinates","270879","2021-11-25","22:58:39",""
"7129364","10.378","0.0008","21.2751","0.0015","17.0225","0.0012","90","","93.702","0.002","90","","3750.6","0.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H36 B10 F4 O4 -","- C37 H36 B10 F4 O4 -","- C148 H144 B40 F16 O16 -","4","1","","Cheng, Biao; Chen, Yu; Zhou, Peng; Xie, Zuowei","Rhodium-catalyzed sequential B(3)−, B(4)−, and B(5)-trifunctionalization of o-carboranes with three different substituents","Chemical Communications","2021","","","","","10.1039/D1CC05936J","","","0.71073","MoKα","","0.0694","0.0431","","","0.0949","0.1114","","","","","","1.049","","","","has coordinates,has disorder","271274","2021-12-08","22:59:12",""
"7129423","12.739","0.002","15.667","0.003","10.1279","0.0018","90","","91.214","0.007","90","","2020.9","0.6","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H24 B2 N8 S2 -","- C16 H24 B2 N8 S2 -","- C64 H96 B8 N32 S8 -","4","1","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.0792","0.0672","","","0.1832","0.2","","","","","","1.064","","","","has coordinates,has disorder","271516","2021-12-18","22:54:48",""
"7129430","4.3661","0.0004","23.242","0.002","12.7698","0.0012","90","","95.256","0.003","90","","1290.4","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Sureshbabu, Popuri; Bhajammanavar, Vinod; Subramanian, Venkatesan; Choutipalli, Venkata Surya Kumar; Baidya, Mahiuddin","Unorthodox cascade reaction of arynes and N-nitrosamides leading to indazole scaffolds","Chemical Communications","2022","","","","","10.1039/D1CC05655G","","","0.71073","MoKα","","0.0196","0.0179","","","0.0455","0.0459","","","","","","1.051","","","","has coordinates","271541","2021-12-20","22:53:16",""
"7129676","17.261","0.002","8.5278","0.0011","16.84","0.002","90","","106.535","0.005","90","","2376.3","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H28 Br3 N Si2 -","- C20 H28 Br3 N Si2 -","- C80 H112 Br12 N4 Si8 -","4","1","","Lips, Felicitas; Helmer, Joschua; Pakkanen, Olli J.; Gendy, Chris; Hepp, Alexander; Tuononen, Heikki M.","Tetracyclic silaheterocycle formed through a pericyclic reaction cascade including a two-fold intramolecular C–C bond activation","Chemical Communications","2022","","","","","10.1039/D2CC00298A","","","0.71073","MoKα","","0.0234","0.0224","","","0.0529","0.0531","","","","","","1.033","","","","has coordinates","272842","2022-02-07","22:56:07",""
"7129761","9.051","0.0005","13.7353","0.0008","10.1333","0.0005","90","","98.133","0.005","90","","1247.08","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C48 H48 Cl4 N4 O16 -","4","1","","Sebest, Filip; Radtanajiravong, Lalita; Kaukver, Siim; White, Andrew J. P.; Díez-González, Silvia","Expedient metal-free preparation of aryl aziridines via thermal cycloaddition reactions","Chemical Communications","2022","","","","","10.1039/D1CC07213G","","","0.71073","MoKα","","0.0315","0.0295","","","0.0711","0.0725","","","","","","1.081","","","","has coordinates","273179","2022-02-28","22:52:26",""
"7129987","14.2647","0.0003","24.628","0.0004","8.18186","0.00015","90","","98.2803","0.0018","90","","2844.41","0.09","100","2","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H37 Cl2 Ir N2 O2 P2 -","- C28 H37 Cl2 Ir N2 O2 P2 -","- C112 H148 Cl8 Ir4 N8 O8 P8 -","4","1","","Coles, Simon J.; Horton, Peter N.; Kimber, Patrick; Klooster, Wim T.; Liu, Pingchuan; Plasser, Felix; Smith, Martin B.; Tizzard, Graham J.","Reversible P–P bond cleavage at an iridium(iii) metal centre","Chemical Communications","2022","","","","","10.1039/D2CC00706A","","x-ray","0.71075","MoKα","","0.0239","0.0232","","","0.0587","0.0589","","","","","","1.094","","","","has coordinates","274579","2022-04-19","21:55:02",""
"7130047","5.1663","0.0015","20.19","0.007","14.945","0.005","90","","96.836","0.013","90","","1547.8","0.9","296","2","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Nunewar, Saiprasad; Kumar, Sanjeev; Priyanka, Pendam; Girase, Pradeep; Kanchupalli, Vinaykumar","The solvent-controlled Rh(iii)-catalyzed switchable [4+2] annulation of 2-arylIndoles with iodonium ylides","Chemical Communications","2022","","","","","10.1039/D2CC01386J","","","0.71073","MoKα","","0.0947","0.0937","","","0.183","0.1845","","","","","","1.285","","","","has coordinates","274890","2022-05-04","21:53:56",""
"7130184","21.7511","0.0004","13.3392","0.0002","20.8348","0.0003","90","","101.877","0.002","90","","5915.64","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H86 Al K N2 O4 Si2 -","- C64 H86 Al K N2 O4 Si2 -","- C256 H344 Al4 K4 N8 O16 Si8 -","4","1","","Liu, Han-Ying; Hill, Michael S.; Mahon, Mary F.","Diverse reactivity of an Al(I)-centred anion towards ketones.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02333d","","x-ray","1.54184","CuKα","","0.0295","0.0281","","","0.072","0.0731","","","","","","1.035","","","","has coordinates","275723","2022-06-01","22:02:18",""
"7130286","22.6978","0.0005","7.32067","0.00011","12.3466","0.0003","90","","121.241","0.003","90","","1754.06","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Han, Huabin; Wang, Lele; Niu, Xinyue; Li, Chaoyang; Xu, Yuanqing; Wang, Qilin","Diastereoselective construction of bridged piperidines through an interrupted dearomative reduction","Chemical Communications","2022","","","","","10.1039/D2CC02225G","","x-ray","1.54184","CuKα","","0.0351","0.0338","","","0.0893","0.0911","","","","","","1.061","","","","has coordinates","276293","2022-06-27","21:52:17",""
"7130376","13.7","0.0008","24.3133","0.0011","19.1731","0.0008","90","","93.799","0.005","90","","6372.4","0.5","100","0.3","100","0.3","","","","","","","","8","C 1 c 1","C -2yc","9","","4CZCNPyPzAgP(Ph)2CH3","","- C77 H53 Ag B Cl2 F4 N8 P -","- C77 H53 Ag B Cl2 F4 N8 P -","- C308 H212 Ag4 B4 Cl8 F16 N32 P4 -","4","1","","Cai, Xian-Bao; Liang, Dong; Yang, Mingxue; Wu, Xiao-Yuan; Lu, Can-Zhong; Yu, Rongmin","Efficiently increasing the radiative rate of TADF material with metal coordination.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02930h","","x-ray","0.71073","MoKα","","0.0673","0.0575","","","0.1362","0.15","","","","","","1.062","","","","has coordinates","276796","2022-07-22","22:21:48",""
"7130399","22.823","0.002","26.037","0.002","16.7292","0.0015","90","","103.336","0.002","90","","9673.1","1.4","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C48 H141 I6 N24 O8 P8 U2 -","- C48 H144 I6 N24 O8 P8 U2 -","- C192 H576 I24 N96 O32 P32 U8 -","4","1","","Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M.; Gomez-Torres, Alejandra; Wright, Joshua; Miró, Pere; Metta-Magaña, Alejandro; Murugesu, Muralee; Vlaisavljevich, Bess; Fortier, Skye","Actinide arene-metalates: 2. A neutral uranium bis(anthracenide) sandwich complex and elucidation of its electronic structure","Chemical Communications","2022","","","","","10.1039/D2CC03238D","","","0.71073","MoKα","","0.0403","0.0368","","","0.0915","0.0935","","","","","","1.042","","","","has coordinates","276941","2022-07-26","21:50:31",""
"7130555","32.0896","0.0006","9.7834","0.0002","20.0973","0.0003","90","","96.478","0.002","90","","6269.2","0.2","93","","93","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H30 Br Mn N6 O3 -","- C33 H30 Br Mn N6 O3 -","- C264 H240 Br8 Mn8 N48 O24 -","8","2","","Carné-Sánchez, Arnau; Ikemura, Shuya; Sakaguchi, Reiko; Craig, Gavin A.; Furukawa, Shuhei","Photoactive carbon monoxide-releasing coordination polymer particles","Chemical Communications","2022","","","","","10.1039/D2CC03907A","","x-ray","0.71073","MoKα","","0.0583","0.0528","","","0.1341","0.1384","","","","","","1.011","","","","has coordinates","277290","2022-08-17","22:01:45",""
"7130698","22.696","0.004","27.095","0.005","17.87","0.004","90","","125.911","0.01","90","","8900","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C91 H80 F18 Fe2 N18 O2 P2 Si -","- C84 H72 F18 Fe2 N18 O2 P2 Si -","- C336 H288 F72 Fe8 N72 O8 P8 Si4 -","4","1","","Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","The template effect of a SiF<sub>6</sub><sup>2-</sup> guest drives the formation of a heteroleptic Fe(II) coordination helicate.","Chemical communications (Cambridge, England)","2022","58","78","10969","10972","10.1039/d2cc04559a","","","0.72931","synchrotron","","0.0536","0.0526","","","0.1483","0.1496","","","","","","1.061","","","","has coordinates,has disorder","278401","2022-10-07","00:42:45",""
"7130755","13.3739","0.0017","17.908","0.002","8.4752","0.0008","90","","97.311","0.004","90","","2013.3","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H29 B F3 N O8 -","- C14 H29 B F3 N O8 -","- C56 H116 B4 F12 N4 O32 -","4","1","","RAMACHANDRAN, P. Veeraraghavan Veeraghavan; Choudhary, Shivani","Monotrifluoroacetoxyborane-amines: Chemoselective reagents for challenging reductive aminations","Chemical Communications","2022","","","","","10.1039/D2CC04173A","","","0.71073","MoKα","","0.0943","0.0473","","","0.0885","0.1053","","","","","","1.008","","","","has coordinates,has disorder","278088","2022-09-22","21:54:01",""
"7130765","8.8994","0.0007","24.393","0.003","16.1873","0.0014","90","","105.719","0.003","90","","3382.6","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H43 Cl2 Mg2 N4 O3 -","- C34 H43 Cl2 Mg2 N4 O3 -","- C136 H172 Cl8 Mg8 N16 O12 -","4","1","","Kumar, Rohit; Pahar, Sanjukta; Chatterjee, Joy; Dash, Soumya Ranjan; Gonnade, Rajesh G.; Vanka, Kumar; Sen, Sakya Singha","Luminescent magnesium complexes with intra- and inter-ligand charge transfer","Chemical Communications","2022","","","","","10.1039/D2CC04142A","","","0.71073","MoKα","","0.0611","0.0552","","","0.1406","0.1452","","","","","","1.148","","","","has coordinates,has disorder","278132","2022-09-26","15:24:23",""
"7130861","10.11404","0.00009","16.90606","0.00014","18.29331","0.00016","90","","102.387","0.0009","90","","3055.13","0.05","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H40 B2 O4 Si -","- C32 H40 B2 O4 Si -","- C128 H160 B8 O16 Si4 -","4","1","","Stefanowska, Kinga; Sokolnicki, Tomasz; Walkowiak, Jędrzej; Czapik, Agnieszka; Franczyk, Adrian","Directed <i>cis</i>-hydrosilylation of borylalkynes to borylsilylalkenes.","Chemical communications (Cambridge, England)","2022","58","86","12046","12049","10.1039/d2cc04318a","","","1.54184","CuKα","","0.0274","0.0273","","","0.0761","0.0762","","","","","","1.077","","","","has coordinates,has disorder","278960","2022-11-07","05:06:46",""
"7130897","4.8224","0.001","12.4436","0.0019","12.24","0.002","90","","90.55","0.02","90","","734.5","0.2","173","","173","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C7 H11 F3 -","- C7 H11 F3 -","- C28 H44 F12 -","4","1","","O'Hagan, David; Yu, Cihang; Cormanich, Rodrigo A.; Slawin, Alexandra; Cordes, David Bradford; Piscelli, Bruno A.; Al-Maharik, Nawaf","Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes","Chemical Communications","2022","","","","","10.1039/D2CC05058G","","x-ray","0.71073","MoKα","","0.1258","0.1074","","","0.2769","0.2933","","","","","","1.111","","","","has coordinates","278781","2022-10-25","21:58:53",""
"7130922","8.2595","0.0004","18.2546","0.0008","7.3234","0.0004","90","","102.049","0.004","90","","1079.85","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H9 N O2 S -","- C13 H9 N O2 S -","- C52 H36 N4 O8 S4 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0775","0.0453","","","0.1145","0.1397","","","","","","0.81","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130946","12.2387","0.0008","11.0061","0.0007","8.6295","0.0005","90","","95.664","0.002","90","","1156.72","0.13","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H12 F3 N2 P -","- C10 H12 F3 N2 P -","- C40 H48 F12 N8 P4 -","4","1","","Coles, Nathan Thomas; Groth, Lucie; Dettling, Lea; Frost, Daniel Sebastian; Rigo, Massimo; Neale, Samuel E.; Muller, Christian","Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles","Chemical Communications","2022","","","","","10.1039/D2CC05178H","","","0.71073","MoKα","","0.0503","0.0452","","","0.1106","0.1171","","","","","","1.084","","","","has coordinates","278926","2022-11-03","22:56:16",""
"7131035","18.707","0.003","17.219","0.003","14.288","0.003","90","","121.068","0.007","90","","3942.2","1.3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","210610_FAK_KRD452","","","- C40 H46 Ag B F4 N4 -","- C40 H46 Ag B F4 N4 -","- C160 H184 Ag4 B4 F16 N16 -","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(<scp>iii</scp>) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/d2cc05134f","","x-ray","0.71073","MoKα","","0.0813","0.0652","","","0.1458","0.1535","","","","","","1.197","","","","has coordinates","282069","2023-03-26","10:37:34",""
"7131102","17.1295","0.0004","17.2313","0.0004","42.1825","0.0011","90","","92.099","0.002","90","","12442.4","0.5","298.15","","298.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C480 H704 N64 O96 -","32","8","","Effaty, Farshid; Gonnet, Lori; Koenig, Stefan G.; Nagapudi, Karthik; Ottenwaelder, Xavier; Friščić, Tomislav","Resonant acoustic mixing (RAM) for efficient mechanoredox catalysis without grinding or impact media.","Chemical communications (Cambridge, England)","2023","59","8","1010","1013","10.1039/d2cc06013b","","","1.54178","CuKα","","0.0981","0.0748","","","0.219","0.2434","","","","","","1.067","","","","has coordinates","283024","2023-05-05","00:04:01",""
"7131126","19.545","0.002","9.5232","0.0009","16.5656","0.0017","90","","117.552","0.012","90","","2733.7","0.6","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H48 B2 N4 O2 -","- C28 H48 B2 N4 O2 -","- C112 H192 B8 N16 O8 -","4","1","","Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.","Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.","Chemical communications (Cambridge, England)","2023","59","6","780","783","10.1039/d2cc06207k","","","0.71073","MoKα","","0.0737","0.0539","","","0.1185","0.1308","","","","","","1.038","","","","has coordinates,has disorder","283033","2023-05-05","00:08:39",""
"7131168","12.7041","0.0002","16.8932","0.0003","33.7442","0.0005","90","","92.349","0.001","90","","7235.9","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H110 Be2 Li2 N4 Si4 -","- C72 H110 Be2 Li2 N4 Si4 -","- C288 H440 Be8 Li8 N16 Si16 -","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","","x-ray","1.54184","CuKα","","0.0635","0.0606","","","0.16","0.1632","","","","","","1.059","","","","has coordinates","283130","2023-05-05","00:38:58",""
"7131205","22.9956","0.0014","10.041","0.0006","20.4012","0.0012","90","","119.072","0.002","90","","4117.1","0.4","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H58 Au F6 N2 Sb -","- C41 H58 Au F6 N2 Sb -","- C164 H232 Au4 F24 N8 Sb4 -","4","1","","Liu, Junyang; Shoshani, Manar M.; Sum, Kethya; Johnson, Samuel A.","Breaking bonds and breaking rules: inert-bond activation by [(<sup>i</sup>Pr<sub>3</sub>P)Ni]<sub>5</sub>H<sub>4</sub> and catalytic stereospecific norbornene dimerization.","Chemical communications (Cambridge, England)","2023","59","24","3542","3545","10.1039/d2cc06681e","","x-ray","0.71073","MoKα","","0.0392","0.0319","","","0.0687","0.0724","","","","","","1.028","","","","has coordinates,has disorder","282251","2023-04-04","09:34:58",""
"7131419","8.2697","0.0003","12.9257","0.0005","19.5683","0.0006","90","","99.611","0.003","90","","2062.33","0.13","100.01","","100.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","molybdenum-bis(acac)-bis(triflate)","","- C12 H14 F6 Mo O10 S2 -","- C12 H14 F6 Mo O10 S2 -","- C48 H56 F24 Mo4 O40 S8 -","4","1","","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","","0.0396","0.0382","","","0.0991","0.1","","","","","","1.065","","","","has coordinates","283095","2023-05-05","00:26:44",""
"7131778","12.5228","0.0017","12.4668","0.0017","39.555","0.006","90","","97.668","0.003","90","","6120.1","1.5","296","2","296","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H56 I8 N4 O4 Pb2 -","- C48 H56 I8 N4 O4 Pb2 -","- C192 H224 I32 N16 O16 Pb8 -","4","1","","Parsons, Leo W.; Fettinger, James C.; Berben, Louise","Group 13 ion coordination to pyridyl models NAD+ reduction potentials","Chemical Communications","2023","","","","","10.1039/D3CC02562D","","","0.71073","MoKα","","0.0414","0.0384","","","0.0891","0.0902","","","","","","1.044","","","","has coordinates","284553","2023-06-29","08:27:40",""
"7131901","9.8625","0.0012","24.973","0.003","7.5384","0.001","90","","111.143","0.004","90","","1731.7","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(Z)-2-(1-methyl-3-oxo-1-phenyl-3,10-dihydrofuro[3',4':5,6]pyrano[4,3-b]indol-5(1H)-ylidene)acetonitrile","","- C22 H14 N2 O3 -","- C22 H14 N2 O3 -","- C88 H56 N8 O12 -","4","1","","Kotipalli, Ramesh; Undamatla, Suribabu; Nanubolu, Jagadesh Babu; Maddi, Sridhar Reddy","Rh-Catalyzed Chemo-, Stereo- and Regioselective C-H Cascade Annulation of indolyloxopropanenitriles for Pyranoindoles","Chemical Communications","2023","","","","","10.1039/D3CC02762G","","","0.71073","MoKα","","0.0848","0.0394","","","0.0738","0.0892","","","","","","1.012","","","","has coordinates","285274","2023-07-19","21:54:56",""
"7132222","17.254","0.0003","13.3169","0.0002","19.1647","0.0004","90","","111.19","0.002","90","","4105.74","0.14","297.47","0.1","297.47","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C168 H160 F24 N8 O32 -","8","2","","Tan, Yongbo; Huang, Huawen","Catalyst- and additive-free cascade radical addition/cyclization of N-arylacrylamides with trifluoropyruvates","Chemical Communications","2023","","","","","10.1039/D3CC04542K","","x-ray","1.54184","CuKα","","0.0478","0.0459","","","0.137","0.1401","","","","","","1.065","","","","has coordinates,has disorder","287017","2023-10-18","21:56:05",""
"7132262","13.099","0.0009","16.0302","0.0011","10.1789","0.0006","90","","90.324","0.002","90","","2137.3","0.2","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Reddy, Mokilla Ramachandra; Eerappa , Rajakumara; Gedu, Satyanarayana","Transition Metal-Free and Temperature Dependent One-Pot Access to Phenanthrene-Fused Heterocycles via 1,3-Dipolar Cycloaddition Pathway","Chemical Communications","2023","","","","","10.1039/D3CC04473D","","","0.71073","MoKα","","0.0469","0.0364","","","0.0842","0.0912","","","","","","1.066","","","","has coordinates","287112","2023-10-25","21:55:14",""
"7132316","14.6254","0.0002","14.0014","0.0002","33.2503","0.0004","90","","97.31","0.001","90","","6753.53","0.16","300.51","0.1","300.51","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H60 F12 N8 O8 -","- C72 H60 F12 N8 O8 -","- C288 H240 F48 N32 O32 -","4","1","","Wang, Junjiao; Shang, Yongwei; Zhao, Xiujuan; Cui, Zhenli; Li, Yang; Wang, Ke-Hu; Huang, Danfeng; Hu, Yulai; Wang, Na; Feng, Lei","The Cyclization/Rearrangement of α-Hydroxy Ketones with Trifluoromethyl N-acylhydrazones to Synthesize Multi-substituted Trifluoromethyloxazolines","Chemical Communications","2023","","","","","10.1039/D3CC03854H","","x-ray","1.54184","CuKα","","0.0467","0.0437","","","0.1181","0.1213","","","","","","1.031","","","","has coordinates","287493","2023-11-09","22:54:21",""
"7132325","8.7569","0.0001","16.9749","0.0002","12.7839","0.0002","90","","91.531","0.001","90","","1899.62","0.04","150.01","0.1","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H24 Br2 O -","- C20 H24 Br2 O -","- C80 H96 Br8 O4 -","4","1","","Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie","Intramolecular C–N bond activation by a transient boryl anion","Chemical Communications","2023","","","","","10.1039/D3CC05182J","","","1.54184","CuKα","","0.0214","0.0212","","","0.0555","0.0557","","","","","","1.077","","","","has coordinates","287523","2023-11-10","23:11:44",""
"7132450","31.096","0.002","12.7331","0.0008","18.1401","0.0011","90","","94.162","0.003","90","","7163.6","0.8","100","","100","","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C68 H92 Cl4 N8 O3 Sn2 -","- C68 H92 Cl4 N8 O3 Sn2 -","- C272 H368 Cl16 N32 O12 Sn8 -","4","1","","Eisner, Teresa; Kostenko, Arseni; J Kiefer, Fiona; Inoue, Shigeyoshi","Synthesis and isolation of a cyclic bis-vinyl germylene <i>via</i> a diazoolefin adduct of germylene dichloride.","Chemical communications (Cambridge, England)","2024","60","5","558","561","10.1039/d3cc05090d","","x-ray","0.71073","MoKα","","0.0167","0.0166","","","0.0437","0.0438","","","","","","1.052","","","","has coordinates,has disorder","289343","2024-02-04","11:09:27",""
"7132499","35.642","0.009","11.768","0.003","26.907","0.007","90","","101.525","0.012","90","","11058","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C120 H148 Au2 B4 Cl4 Cu2 N10 -","- C120 H148 Au2 B4 Cl4 Cu2 N10 -","- C480 H592 Au8 B16 Cl16 Cu8 N40 -","4","1","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","x-ray","0.71073","MoKα","K-L~2,3~","0.0326","0.0307","","","0.073","0.0744","","","","","","1.034","","","","has coordinates,has disorder","289379","2024-02-04","11:22:10",""
"7132730","10.7059","0.0004","14.2716","0.0004","10.8582","0.0003","90","","101.977","0.001","90","","1622.91","0.09","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H14 Cl2 N2 O2 Sn -","- C16 H14 Cl2 N2 O2 Sn -","- C64 H56 Cl8 N8 O8 Sn4 -","4","1","","Žáková, Andrea; Saha, Pritha; Paparakis, Alexandros; Zábranský, Martin; Gastelu, Gabriela; Kukla, Jaroslav; Uranga, Jorge G.; Hulla, Martin","Hexacoordinated tin complexes catalyse imine hydrogenation with H<sub>2</sub>.","Chemical communications (Cambridge, England)","2024","60","24","3287","3290","10.1039/d3cc05878f","","","0.71073","MoKα","","0.0148","0.0147","","","0.0309","0.0309","","","","","","1.071","","","","has coordinates","290809","2024-04-04","22:27:37",""
"7132896","20.0826","0.0009","14.1346","0.0005","15.2463","0.0007","90","","100.815","0.005","90","","4250.9","0.3","173.15","","173.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H55 Cl2 N2 O2 Sb -","- C46 H55 Cl2 N2 O2 Sb -","- C184 H220 Cl8 N8 O8 Sb4 -","4","1","","Agou, Tomohiro; Kuroiwa, Shunsuke; Fukumoto, Hiroki; Nabeshima, Tatsuya","Synthesis and optical properties of antimony(V) complexes of a trianionic N<sub>2</sub>O<sub>2</sub>-type tetradentate dipyrrin ligand.","Chemical communications (Cambridge, England)","2024","60","34","4557","4560","10.1039/d4cc00630e","","x-ray","0.71073","MoKα","","0.0618","0.048","","","0.0863","0.0934","","","","","","1.006","","","","has coordinates","291554","2024-05-05","01:19:06",""
"7133027","11.765","0.0003","23.8074","0.0005","23.7692","0.0006","90","","97.721","0.001","90","","6597.3","0.3","170","2","170","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69 H75 B N4 O2 Si -","- C69 H75 B N4 O2 Si -","- C276 H300 B4 N16 O8 Si4 -","4","1","","Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di","Synthetic, Structural and Reactivity Studies of Boryl-Ethynyl Silylene","Chemical Communications","2024","","","","","10.1039/D4CC00922C","","","0.71073","MoKα","","0.0573","0.0443","","","0.1072","0.1158","","","","","","1.002","","","","has coordinates","291775","2024-05-08","21:59:26",""
"7150112","6.574","0.0002","31.53","0.0006","7.667","0.0004","90","","108.03","0.006","90","","1511.16","0.11","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0415","0.0396","","0.105","0.1047","","","","1.101","1.144","1.144","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150145","15.63","0.0019","12.6665","0.0015","7.9832","0.001","90","","93.946","0.003","90","","1576.7","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(1R*,2R*,5S*)-1-Hydroxymethyl-4,5-diphenyl-3,6-dioxa-8-azabicyclo[3.2.1]octan- 4-ol","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio","Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.","Organic & biomolecular chemistry","2005","3","8","1489","1494","10.1039/b500580a","","","0.71073","MoKα","","0.0357","0.0328","","","0.0811","0.0845","","","","","","1.122","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150306","9.9656","0.0007","17.1331","0.0013","8","0.0004","90","","100.757","0.004","90","","1341.93","0.16","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0506","0.0367","","0.145","0.0835","","","","1.073","1.088","1.088","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150308","15.3223","0.0004","12.7909","0.0003","14.0095","0.0005","90","","104.82","0.0012","90","","2654.34","0.13","150","","150","","","","","","","","?","4","C 1 c 1","C -2yc","9","","","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0952","0.0509","","0.1048","0.0508","0.0508","","","","","","1.0101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150339","9.7681","0.0013","11.809","0.0015","10.5162","0.0015","90","","114.677","0.009","90","","1102.3","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H14 F2 O3 -","- C11 H14 F2 O3 -","- C44 H56 F8 O12 -","4","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71069","MoKα","","0.0604","0.0563","","","0.1948","0.2013","","","","","","1.083","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150375","15.582","0.0009","9.9509","0.0006","7.9189","0.0005","90","","97.128","0.003","90","","1218.37","0.13","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","1","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.033","0.0309","","","0.0718","0.0735","","","","","","1.098","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150411","9.8279","0.0002","30.0349","0.001","20.0581","0.0006","90","","99.28","0.002","90","","5843.3","0.3","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H64 F12 N6 O7 P2 -","- C60 H64 F12 N6 O7 P2 -","- C240 H256 F48 N24 O28 P8 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0681","0.0515","","","0.1123","0.121","","","","","","1.006","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150521","13.473","0.003","23.261","0.005","11.079","0.002","90","","113.78","0.03","90","","3177.3","1.4","120","0.2","120","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H12 F18 N2 O4 -","- C30 H12 F18 N2 O4 -","- C120 H48 F72 N8 O16 -","4","1","","Chambers, Richard D.; Hoskin, Philip R.; Kenwright, Alan R.; Khalil, Ali; Richmond, Paul; Sandford, Graham; Yufit, Dmitrii S.; Howard, Judith A. K.","Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.","Organic & Biomolecular Chemistry","2003","1","12","2137","","10.1039/b303443g","","","0.71073","MoKα","","0.1322","0.1168","","","0.2795","0.31","","","","","","1.095","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150526","27.2736","0.001","16.3323","0.0009","24.0996","0.001","90","","116.999","0.006","90","","9565","0.9","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C108 H124 O12 P4 -","- C105 H108 O9 P4 -","- C420 H432 O36 P16 -","4","1","","Moll, Hani El; Sémeril, David; Matt, Dominique; Youinou, Marie-Thérèse; Toupet, Loïc","Synthesis of a resorcinarene-based tetraphosphine-cavitand and its use in Heck reactions","Organic & Biomolecular Chemistry","2009","7","3","495","501","10.1039/b813373e","","","0.71069","MoKα","","0.1643","0.0601","","","0.1457","0.1639","","","","","","0.752","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150800","11.961","0.005","19.647","0.005","9.048","0.005","90","","94.251","0.005","90","","2120.4","1.6","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C92 H100 N12 O12 -","4","1","","Korotkikh, Nikolai I.; Cowley, Alan H.; Moore, Jennifer A.; Glinyanaya, Nataliya V.; Panov, Ilia S.; Rayenko, Gennady F.; Pekhtereva, Tatyana M.; Shvaika, Oles P.","Reaction of 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-5-ylidenes with a malonic ester","Organic & Biomolecular Chemistry","2008","6","1","195","199","10.1039/b712885a","","","0.71073","MoKα","","0.2404","0.0646","","","0.1139","0.1718","","","","","","0.967","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150851","12.321","0.002","18.376","0.003","9.3465","0.0016","90","","116.339","0.003","90","","1896.5","0.5","295","1","295","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H21 N3 O S -","- C20 H21 N3 O S -","- C80 H84 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.1637","0.0815","","","0.0973","0.1213","","","","","","0.94","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7151046","4.6405","0.0007","25.329","0.004","12.191","0.0017","90","","97.047","0.002","90","","1422.1","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C64 H56 N8 O4 S4 -","4","1","","Bowman, W. Russell; Elsegood, Mark R. J.; Stein, Tobias; Weaver, George W.","Radical reactions with 3H-quinazolin-4-ones: synthesis of deoxyvasicinone, mackinazolinone, luotonin A, rutaecarpine and tryptanthrin.","Organic & biomolecular chemistry","2007","5","1","103","113","10.1039/b614075k","","","0.71073","MoKα","","0.0837","0.0602","","","0.1444","0.159","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151055","7.5606","0.0002","16.9628","0.0004","9.1745","0.0002","90","","92.2557","0.0008","90","","1175.71","0.05","173","","123","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H21 N3 -","- C11 H21 N3 -","- C44 H84 N12 -","4","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0326","0.0296","","","0.0657","0.0673","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151078","12.822","0.004","11.499","0.003","9.804","0.002","90","","103.84","0.02","90","","1403.5","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 F5 N O -","- C15 H10 F5 N O -","- C60 H40 F20 N4 O4 -","4","1","","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","","0.0633","0.0474","","","0.1119","0.1284","","","","","","0.908","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151095","12.949","0.003","13.3462","0.0013","18.932","0.004","90","","103.939","0.023","90","","3175.5","1.1","294","","294","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H19 N O S -","- C17 H19 N O S -","- C136 H152 N8 O8 S8 -","8","2","","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","","0.1202","0.0399","","","0.0731","0.0891","","","","","","1.004","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151198","18.824","0.0006","13.0677","0.0002","26.2401","0.0007","90","","105.854","0.001","90","","6209.2","0.3","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C77 H80 B2 N6 -","- C77 H80 B2 N6 -","- C308 H320 B8 N24 -","4","1","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0732","0.0564","","","0.1352","0.1483","","","","","","1.005","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7151316","17.576","0.003","15.667","0.002","7.465","0.001","90","","90.461","0.011","90","","2055.5","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E","Short, asymmetric synthesis of epi-morphine ACNO analogues.","Organic & biomolecular chemistry","2006","4","21","3898","3900","10.1039/b610148h","","","1.54178","CuKα","","0.0387","0.0378","","","0.1093","0.1105","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151396","23.502","0.009","15.453","0.003","13.68","0.004","90","","118.66","0.02","90","","4360","2","296.2","","296.2","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H54.123 Cl9.877 N6 O3.123 Pt Zn3 -","- C22 H48 Cl9.877 N6 O3.123 Pt Zn3 -","- C88 H192 Cl39.508 N24 O12.492 Pt4 Zn12 -","4","1","","Kylie N. Brown; Rodney J. Geue; Trevor W. Hambley; David C. R. Hockless; A. David Rae; Alan M. Sargeson","Specificity in template syntheses of hexaaza-macrobicyclic cages: [Pt(Me5-tricosatrieneN6)]4+ and [Pt(Me5-tricosaneN6)]4+","Org. Biomol. Chem.","2003","1","9","1598","1608","10.1039/b212326f","","","0.7107","MoKα","","0.038","0.0277","","0.0379","","0.0364","","","1.619","","","1.704","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151652","23.576","0.003","16.388","0.002","24.599","0.003","90","","91.441","0.002","90","","9501","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C104 H86 N4 Nd2 O20 Zn2 -","- C104 H85 N4 Nd2 O20 Zn2 -","- C416 H340 N16 Nd8 O80 Zn8 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0894","0.0578","","","0.1281","0.147","","","","","","0.997","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7151702","10.1129","0.0002","14.736","0.0005","7.3628","0.0002","90","","118.152","0.003","90","","967.43","0.05","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.036","0.0308","","","0.0702","0.0727","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151813","11.96","0.002","16.344","0.003","7.655","0.002","90","","109.03","0.03","90","","1414.6","0.6","198","2","198","2","","","","","","","synthesis","4","C 1 c 1","C -2yc","9","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Gruner, Konstanze K.; Hopfmann, Thomas; Matsumoto, Kazuhiro; Jäger, Anne; Katsuki, Tsutomu; Knölker, Hans-Joachim","Efficient iron-mediated approach to pyrano[3,2-a]carbazole alkaloids‒first total syntheses of O-methylmurrayamine A and 7-methoxymurrayacine, first asymmetric synthesis and assignment of the absolute configuration of (-)-trans-dihydroxygirinimbine.","Organic & biomolecular chemistry","2011","9","7","2057","2061","10.1039/c0ob01088j","","x-ray","0.71073","MoKα","","0.0593","0.0375","","","0.0747","0.0811","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151820","17.683","0.004","10.819","0.002","10.206","0.002","90","","114.81","0.03","90","","1772.3","0.8","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.0905","0.0698","","","0.1715","0.1823","","","","","","1.017","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151869","30.1583","0.0005","13.3236","0.0002","16.1956","0.0003","90","","107.909","0.001","90","","6192.35","0.18","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C256 H288 N32 O96 -","16","4","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0561","0.0466","","","0.1172","0.1279","","","","","","1.048","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151933","19.404","0.004","8.0536","0.0016","11.589","0.002","90","","102.32","0.03","90","","1769.3","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong","Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.","Organic & biomolecular chemistry","2011","9","15","5358","5361","10.1039/c1ob05440f","","","0.71073","MoKα","","0.1056","0.0401","","","0.0815","0.1257","","","","","","1.132","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151982","16.3465","0.0011","23.3116","0.0018","17.2917","0.0013","90","","116.247","0.007","90","","5909.9","0.8","293","1","293","1","","","","","","","","5","C 1 c 1","C -2yc","9","Cone-5d","","","- C63 H66 F9 N3 O9 -","- C63 H66 F9 N3 O9 -","- C252 H264 F36 N12 O36 -","4","1","","Ni, Xin-Long; Rahman, Shofuir; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Novel ion-pair receptors based on hexahomotrioxacalix[3]arene derivatives.","Organic & biomolecular chemistry","2011","9","19","6535","6541","10.1039/c1ob05564j","","","0.71073","Mo-Kα","","0.0848","0.0563","","","0.1292","0.1402","","","","","","1.042","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7152018","14.6003","0.0006","17.4066","0.0008","9.8449","0.0003","90","","115.519","0.002","90","","2257.91","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H25 N O5 -","- C26 H25 N O5 -","- C104 H100 N4 O20 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.045","0.0334","","","0.0713","0.0749","","","","","","1.045","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152070","11.3994","0.0002","17.3955","0.0004","25.7476","0.0005","90","","102.612","0.001","90","","4982.51","0.17","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48 H44 N18 O13 -","- C48 H44 N18 O13 -","- C192 H176 N72 O52 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0742","0.0443","","","0.0898","0.1042","","","","","","1.014","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152103","8.0009","0.0002","25.2757","0.0005","12.9386","0.0003","90","","92.918","0.001","90","","2613.16","0.1","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H31 N5 O8 -","- C27 H31 N5 O8 -","- C108 H124 N20 O32 -","4","1","","Klein, Jörg M; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Dynamic combinatorial libraries for the recognition of heavy metal ions.","Organic & biomolecular chemistry","2012","10","1","60","66","10.1039/c1ob05976a","","","0.71073","MoKα","","0.046","0.0366","","","0.0816","0.0866","","","","","","1.047","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152111","12.828","0.002","11.141","0.002","16.665","0.003","90","","103.208","0.01","90","","2318.7","0.7","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 F2 N2 O -","- C30 H22 F2 N2 O -","- C120 H88 F8 N8 O4 -","4","1","","Zhou, Rong; Wang, Jianfang; Tian, Junjun; He, Zhengjie","Phosphine-catalyzed [4 + 2] annulation and vinylogous addition reactions between 1,4-dien-3-ones and 1,1-dicyanoalkenes.","Organic & biomolecular chemistry","2012","10","4","773","781","10.1039/c1ob06187a","","","0.71073","MoKα","","0.0332","0.0285","","","0.0599","0.0606","","","","","","1.043","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152204","20.657","0.003","18.786","0.003","26.624","0.004","90","","97.992","0.005","90","","10231","3","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H128.5 N20 O50.25 S8 -","- C72 H122 N20 O50.25 S8 -","- C288 H488 N80 O201 S32 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71075","MoKα","","0.1042","0.0881","","","0.212","0.2279","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152322","10.3319","0.0004","21.2699","0.0008","9.3647","0.0004","90","","120.648","0.002","90","","1770.5","0.13","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 I N O -","- C18 H20 I N O -","- C72 H80 I4 N4 O4 -","4","1","","Huang, Jing-Mei; Ye, Zhi-Jun; Chen, Dong-Song; Zhu, Hong","Iodine mediated/Brønsted acid-catalyzed dimerization of vinylarenes: a tandem reaction through Ritter trapping to produce N-(4-iodo-1,3-diarylbutyl) acetamides.","Organic & biomolecular chemistry","2012","10","18","3610","3612","10.1039/c2ob25142f","","","0.71073","MoKα","","0.0368","0.0339","","","0.0975","0.1084","","","","","","1.156","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152511","13.0246","0.0011","7.6223","0.0007","16.3135","0.0014","90","","91.507","0.001","90","","1619","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","diethylboronpicoline-4Chlorobenzaldehyde","","","- C17 H21 B Cl N O -","- C17 H21 B Cl N O -","- C68 H84 B4 Cl4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0354","0.0333","","","0.086","0.0874","","","","","","0.984","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152535","12.4785","0.0004","13.3392","0.0005","10.0137","0.0004","90","","103.019","0.002","90","","1623.97","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0386","","","0.1052","0.1113","","","","","","1.046","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152715","21.0466","0.0007","5.8427","0.0002","12.7574","0.0004","90","","104.37","0.001","90","","1519.68","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H28 Cl2 N2 O2 -","- C10 H28 Cl2 N2 O2 -","- C40 H112 Cl8 N8 O8 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","10.1039/c2ob26482j","","","1.54178","CuKα","","0.024","0.0239","","","0.0585","0.0586","","","","","","1.096","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152818","12.72","0.007","18.426","0.01","9.036","0.005","90","","122.238","0.009","90","","1791.4","1.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H14 N2 O3 -","- C24 H14 N2 O3 -","- C96 H56 N8 O12 -","4","1","","Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki","Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.","Organic & biomolecular chemistry","2013","11","10","1691","1701","10.1039/c2ob27192c","","","0.71073","MoKα","","0.0686","0.0453","","","0.1007","0.1144","","","","","","0.991","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152820","19.4982","0.0004","13.338","0.0003","43.2785","0.0011","90","","95.832","0.002","90","","11197.1","0.4","100","","100","","","","","","","","synthesized","7","C 1 c 1","C -2yc","9","","","","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C484 H577.6 Cl8 F24 N36 O42.8 P4 -","4","1","","White, Nicholas G.; Beer, Paul D.","A rotaxane host system containing integrated triazole C-H hydrogen bond donors for anion recognition.","Organic & biomolecular chemistry","2013","11","8","1326","1333","10.1039/c2ob27229f","","","0.6889","synchrotron","","0.1293","0.1264","","0.2919","0.2908","0.2919","","","","","","1.0601","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152868","9.3155","0.0011","19.012","0.002","6.3222","0.0007","90","","118.966","0.002","90","","979.63","0.19","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0453","0.0385","","","0.0993","0.1053","","","","","","1.044","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152897","13.937","0.005","19.444","0.007","11.779","0.004","90","","100.961","0.014","90","","3133.8","1.9","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C38 H38 N6 -","- C38 H38 N6 -","- C152 H152 N24 -","4","1","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.081","0.0503","","","0.1126","0.1266","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7153018","12.681","0.004","18.138","0.005","9.663","0.003","90","","96.551","0.007","90","","2208.1","1.2","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H28 O10 -","- C20 H28 O10 -","- C80 H112 O40 -","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","","0.0565","0.0411","","","0.1033","0.1117","","","","","","1.031","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153198","8.32","0.01","28.09","0.03","7.621","0.009","90","","115.891","0.012","90","","1602","3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H16 N0 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","","Long, Lingliang; Zhou, Liping; Wang, Lin; Meng, Suci; Gong, Aihua; Du, Fengyi; Zhang, Chi","A coumarin-based fluorescent probe for biological thiols and its application for living cell imaging.","Organic & biomolecular chemistry","2013","11","47","8214","8220","10.1039/c3ob41741g","","","0.71073","MoKα","","0.0336","0.0308","","","0.0747","0.0768","","","","","","1.056","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153216","7.101","0.005","36.72","0.03","8.124","0.005","90","","97.633","0.015","90","","2100","3","125","","125","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C80 H136 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0616","","","","0.2222","","","","","","1.163","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153435","12.022","0.005","11.403","0.005","17.406","0.01","90","","95.445","0.011","90","","2375","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C120 H80 N16 O16 -","8","2","","Wang, Lina; Qin, Wenwu; Tang, Xiaoliang; Dou, Wei; Liu, Weisheng; Teng, Qingfeng; Yao, Xiaojun","A selective, cell-permeable fluorescent probe for Al3+ in living cells.","Organic & biomolecular chemistry","2010","8","16","3751","3757","10.1039/c0ob00123f","","","0.71073","MoKα","","0.1002","0.0703","","","0.1604","0.1826","","","","","","1.016","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153804","16.9504","0.0014","11.2305","0.001","9.1731","0.0009","90","","103.305","0.01","90","","1699.3","0.3","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek","Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.","Organic & biomolecular chemistry","2014","12","20","3211","3221","10.1039/c4ob00411f","","","1.54184","CuKα","","0.0603","0.0582","","","0.1438","0.1464","","","","","","1.029","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153822","21.6473","0.0008","7.6201","0.0003","13.154","0.0004","90","","123.262","0.004","90","","1814.34","0.14","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H22 Cl Li N2 O3 -","- C18 H22 Cl Li N2 O3 -","- C72 H88 Cl4 Li4 N8 O12 -","4","1","","Ziach, K.; Kulesza, A.; Jurczak, J.","Fast imine equilibration and its consequences for the evaluation of dynamic combinatorial libraries.","Organic & biomolecular chemistry","2014","12","23","3827","3830","10.1039/c4ob00507d","","","0.71073","MoKα","","0.0299","0.0233","","","0.0466","0.0474","","","","","","0.933","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153835","23.832","0.002","11.4009","0.001","7.7827","0.0007","90","","95.137","0.002","90","","2106.1","0.3","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Xia, Likai; Cai, Hongyun; Lee, Yong Rok","Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.","Organic & biomolecular chemistry","2014","12","25","4386","4396","10.1039/c4ob00691g","","","0.71073","MoKα","","0.098","0.0568","","","0.1256","0.1677","","","","","","0.993","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153922","38.9202","0.0004","12.316","0.0003","14.8423","0.0006","90","","99.601","0.004","90","","7014.9","0.3","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C41 H31 Cl3 N4 -","- C41 H31 Cl3 N4 -","- C328 H248 Cl24 N32 -","8","2","","Dokládalová, L; Bureš, F; Kuznik, W.; Kityk, I. V.; Wojciechowski, A.; Mikysek, T.; Almonasy, N.; Ramaiyan, M.; Padělková, Z; Kulhánek, J; Ludwig, M.","Dicyanobenzene and dicyanopyrazine derived X-shaped charge-transfer chromophores: comparative and structure-property relationship study.","Organic & biomolecular chemistry","2014","12","29","5517","5527","10.1039/c4ob00901k","","","0.71073","MoKα","","0.1146","0.0763","","","0.1622","0.1892","","","","","","1.168","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154172","20.771","0.0009","10.2846","0.0005","18.6572","0.0009","90","","120.235","0.004","90","","3443.4","0.3","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H28 B Cl2 F10 P -","- C36 H28 B Cl2 F10 P -","- C144 H112 B4 Cl8 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0678","0.0546","","","0.1256","0.1374","","","","","","1.052","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154257","7.4735","0.0006","23.4154","0.0011","7.4325","0.0007","90","","102.242","0.003","90","","1271.07","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","","Xuan, Jun; Pan, Saiyong; Zhang, Yuanbao; Ye, Bin; Ding, Hanfeng","Construction of the tricyclic core of steenkrotin-type diterpenoids via intramolecular [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2015","13","6","1643","1646","10.1039/c4ob02439g","","","0.71073","MoKα","","0.0661","0.062","","","0.1505","0.1543","","","","","","1.004","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154378","10.182","0.003","19.806","0.007","8.31","0.003","90","","126.517","0.005","90","","1346.8","0.8","100","2","298","2","","","","","","","1-naphthylamine","3","C 1 c 1","C -2yc","9","3'd","2-methyl-3-phenyl-1H-benzo[g]indole","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","","Zhang, Furen; Li, Chunmei; Wang, Chen; Qi, Chenze","Facile synthesis of benzoindoles and naphthofurans through carbonaceous material-catalyzed cyclization of naphthylamines/naphthols with nitroolefins in water.","Organic & biomolecular chemistry","2015","13","17","5022","5029","10.1039/c5ob00129c","","","0.71073","MoKα","","0.0348","0.0328","","","0.0829","0.0847","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154433","19.554","0.003","14.799","0.0017","7.5795","0.0009","90","","101.157","0.006","90","","2151.9","0.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1024","0.0502","","","0.0984","0.1253","","","","","","0.941","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154456","15.66","0.002","7.1579","0.001","14.548","0.002","90","","113.366","0.004","90","","1497","0.4","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(p-tolyl)methanone","","- C16 H12 Cl N O4 -","- C16 H12 Cl N O4 -","- C64 H48 Cl4 N4 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.0302","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154540","20.5236","0.0009","7.6948","0.0003","18.8253","0.0009","90","","96.529","0.002","90","","2953.7","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C144 H108 N12 O36 -","12","3","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0465","0.0441","","","0.1187","0.1211","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154609","23.897","0.017","6.42","0.005","8.292","0.006","90","","95.275","0.011","90","","1266.8","1.6","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H9 N3 O2 -","- C16 H9 N3 O2 -","- C64 H36 N12 O8 -","4","1","","Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng","Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones.","Organic & biomolecular chemistry","2015","13","35","9261","9266","10.1039/c5ob01322d","","","0.71073","MoKα","","0.0784","0.0462","","","0.1095","0.1313","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154765","15.3958","0.0019","9.1841","0.0011","16.013","0.002","90","","116.983","0.002","90","","2017.7","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0303","0.0268","","","0.0704","0.072","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154897","12.087","0.003","21.192","0.005","12.419","0.003","90","","93.461","0.005","90","","3175.3","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H28 N3 O6 P -","- C36 H28 N3 O6 P -","- C144 H112 N12 O24 P4 -","4","1","","Chuang, Shih-Ching; Sung, Shih-Ping; Deng, Jie-Cheng; Chiou, Mong-Feng; Hsu, Day-Shin","Multicomponent reactions of phosphines, enynedioates and benzylidene malononitriles generated highly substituted cyclopentenes through an unexpected phosphine α-addition-δ-evolvement of an anion pathway.","Organic & biomolecular chemistry","2016","14","7","2306","2317","10.1039/c5ob02445e","","","0.71073","MoKα","","0.0269","0.0259","","","0.0619","0.0627","","","","","","1.031","","","","has coordinates","177906","2020-10-21","18:00:00",""
"7154978","14.19","0.03","16.5","0.03","7.736","0.015","90","","101.18","0.03","90","","1777","6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2-hydroxy-2-phenylcyclohexyloxy)isoindoline-1,3-dione","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Iron(iii)-catalyzed aerobic dioxygenation of styrenes using N-hydroxyphthalimide and N-hydroxybenzotriazole.","Organic & biomolecular chemistry","2016","14","12","3246","3255","10.1039/c6ob00210b","","","0.71073","MoKα","","0.0642","0.0449","","","0.1044","0.1269","","","","","","1.045","","","","has coordinates","181787","2020-10-21","18:00:00",""
"7155022","25.935","0.004","7.888","0.002","18.793","0.004","90","","108.37","0.03","90","","3648.7","1.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","rubidium 1,1,3,3-tetracyano-2-(2-(isopropoxycarbonyl)benzoyl)prop-2-en-1-ide","","- C36 H22 N8 O6 Rb2 -","- C36 H22 N8 O6 Rb2 -","- C144 H88 N32 O24 Rb8 -","4","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1279","0.0568","","","0.0779","0.0956","","","","","","0.923","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155289","38.822","0.008","4.592","0.0009","10.705","0.002","90","","99.08","0.03","90","","1884.5","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H24 Cl N3 O2 S -","- C18 H24 Cl N3 O2 S -","- C72 H96 Cl4 N12 O8 S4 -","4","1","","Romashov, Leonid V.; Ananikov, Valentine P.","Synthesis of HIV-1 capsid protein assembly inhibitor (CAP-1) and its analogues based on a biomass approach","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB01731B","","","0.9699","synchrotron","","0.0557","0.0476","","","0.1167","0.1233","","","","","","1.068","","","","has coordinates","186874","2020-10-21","18:00:00",""
"7155721","37.637","0.003","4.9401","0.0005","11.5774","0.0011","90","","94.936","0.003","90","","2144.6","0.3","273","0.2","273","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H19 F5 O -","- C27 H19 F5 O -","- C108 H76 F20 O4 -","4","1","","Yamada, Shigeyuki; Miyano, Kazuya; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio; Hosokai, Takuya","Fluorine-containing bistolanes as light-emitting liquid crystalline molecules","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01369H","","","0.71073","MoKα","","0.0521","0.0395","","","0.1149","0.1265","","","","","","0.876","","","","has coordinates","198160","2020-10-21","18:00:00",""
"7156089","14.9636","0.0017","12.2439","0.0014","33.362","0.004","90","","96.5","0.002","90","","6073.1","1.2","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H35 N3 O2 -","- C36 H35 N3 O2 -","- C288 H280 N24 O16 -","8","2","","Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng","Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.","Organic & biomolecular chemistry","2018","16","9","1536","1542","10.1039/c7ob03182c","","","0.71073","MoKα","","0.125","0.048","","","0.083","0.1171","","","","","","0.969","","","","has coordinates","230798","2020-10-21","18:00:00",""
"7156375","27.492","0.006","10.71","0.002","20.869","0.005","90","","131.125","0.006","90","","4628.6","1.8","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H28 Cl N3 O2 -","- C23 H28 Cl N3 O2 -","- C184 H224 Cl8 N24 O16 -","8","2","","Ren, Zhi-Lin; He, Ping; Lu, Wen-Ting; Sun, Mei; Ding, Ming-Wu","Synthesis of iminoisoindolinones via a cascade of the three-component Ugi reaction, palladium catalyzed isocyanide insertion, hydroxylation and an unexpected rearrangement reaction.","Organic & biomolecular chemistry","2018","16","34","6322","6331","10.1039/c8ob01728j","","","0.71073","MoKα","","0.0605","0.0445","","","0.115","0.1269","","","","","","0.979","","","","has coordinates","230863","2020-10-21","18:00:00",""
"7156475","30.335","0.006","5.7303","0.001","7.396","0.0018","90","","92.47","0.02","90","","1284.4","0.5","100","3","100","3","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.1187","0.0982","","","0.2545","0.2959","","","","","","1.032","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156496","8.3507","0.0002","22.0757","0.0006","10.0712","0.0003","90","","113.691","0.0006","90","","1700.14","0.08","100","2","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H15 N5 -","- C21 H15 N5 -","- C84 H60 N20 -","4","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0246","0.0242","","","0.061","0.0612","","","","","","1.055","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156857","26.0787","0.0016","18.5482","0.0005","11.033","0.0005","90","","103.001","0.006","90","","5200","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 B Cl3 N -","- C31 H27 B Cl3 N -","- C248 H216 B8 Cl24 N8 -","8","2","","Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro","Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.","Organic & biomolecular chemistry","2019","17","22","5500","5504","10.1039/c9ob00934e","","","0.71073","MoKa","","0.0636","0.045","","","0.1026","0.1112","","","","","","1.014","","","","has coordinates","225058","2020-10-21","18:00:00",""
"7157323","16.1406","0.0008","12.8442","0.0006","10.0734","0.0005","90","","97.501","0.004","90","","2070.48","0.18","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H26 O3 -","- C29 H26 O3 -","- C116 H104 O12 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.036","0.0348","","","0.0895","0.0906","","","","","","1.064","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157477","12.562","0.003","11.151","0.002","19.041","0.004","90","","91.874","0.003","90","","2665.8","1","298","2","298","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C21 H26 Br Cl F6 N2 P Rh S -","- C21 H26 Br Cl F6 N2 P Rh S -","- C84 H104 Br4 Cl4 F24 N8 P4 Rh4 S4 -","4","1","","Sharma, Charu; Srivastava, Avinash Kumar; Sharma, Kamal Nayan; Joshi, Raj Kumar","Half-sandwich (η<sup>5</sup>-Cp*)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions.","Organic & biomolecular chemistry","2020","18","18","3599","3606","10.1039/d0ob00538j","","","0.71073","MoKα","","0.0544","0.0477","","","0.1033","0.1057","","","","","","1.068","","","","has coordinates","252923","2020-10-21","18:00:00",""
"7157749","13.738","0.013","15.885","0.013","7.706","0.006","90","","111.13","0.04","90","","1569","2","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Ahn, Hye-In; Park, Jong-Un; Xuan, Zi; Kim, Ju Hyun","Pd-Catalyzed asymmetric [5 + 2] cycloaddition of vinylethylene carbonates and cyclic imines: access to N-fused 1,3-oxazepines.","Organic & biomolecular chemistry","2020","18","48","9826","9830","10.1039/d0ob02159h","","","0.71073","MoKα","","0.0361","0.0317","","","0.0732","0.0761","","","","","","1.044","","","","has coordinates","260821","2021-01-07","07:07:44",""
"7157949","17.86","0.003","8.4885","0.0004","14.325","0.002","90","","136.68","0.03","90","","1490","0.9","105.6","","105.6","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Wu, Qiuyue; Dong, Ziyang; Xu, Jiaxi; Yang, Zhanhui","Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights.","Organic & biomolecular chemistry","2021","19","14","3173","3180","10.1039/d1ob00116g","","","1.5418","CuKα","","0.0289","0.0287","","","0.0753","0.0755","","","","","","1.082","","","","has coordinates","264955","2021-05-05","09:04:16",""
"7157997","14.5546","0.0004","19.3096","0.0006","8.6608","0.0003","90","","94.446","0.001","90","","2426.74","0.13","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0289","0.0287","","","0.0877","0.0882","","","","","","0.829","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157998","15.3793","0.0004","19.2972","0.0005","8.5773","0.0002","90","","99.046","0.001","90","","2513.89","0.11","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C104 H148 N4 O28 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0305","0.0305","","","0.0941","0.0941","","","","","","0.911","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158007","6.251","0.0002","18.8202","0.0006","14.227","0.0005","90","","98.706","0.003","90","","1654.45","0.1","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","conjugated triene","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","x-ray","0.71073","MoKα","","0.0836","0.0761","","","0.2068","0.2139","","","","","","1.082","","","","has coordinates","266152","2021-06-05","19:26:21",""
"7158219","5.2329","0.0002","24.0253","0.0011","21.2592","0.001","90","","95.778","0.003","90","","2659.2","0.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","aPh-BFPh","","- C31 H26 B Cl2 F N2 O2 -","- C31 H26 B Cl2 F N2 O2 -","- C124 H104 B4 Cl8 F4 N8 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.8","Synchrotron","","0.0427","0.0424","","","0.1136","0.114","","","","","","1.07","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158429","13.5539","0.0007","17.8625","0.0008","12.4649","0.0009","90","","122.657","0.002","90","","2540.8","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H18 Br2 O -","- C33 H18 Br2 O -","- C132 H72 Br8 O4 -","4","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0635","0.0352","","","0.0752","0.0835","","","","","","0.954","","","","has coordinates","272750","2022-02-04","19:59:06",""
"7158618","8.8732","0.0003","23.4482","0.0005","10.733","0.0003","90","","109.856","0.003","90","","2100.35","0.11","99.99","0.13","99.99","0.13","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H23 B Cl3 N O3 -","- C17 H23 B Cl3 N O3 -","- C68 H92 B4 Cl12 N4 O12 -","4","1","","Szwetkowski, Connor; Slebodnick, Carla; Santos, Webster L.","Regio- and stereoselective copper-catalyzed α,β-protoboration of allenoates: access to <i>Z</i>-β,γ-unsaturated β-boryl esters.","Organic & biomolecular chemistry","2022","20","16","3287","3291","10.1039/d2ob00423b","","x-ray","1.54184","CuKα","","0.0557","0.0535","","","0.1462","0.1481","","","","","","1.148","","","","has coordinates","275066","2022-05-05","20:55:26",""
"7158632","28.4017","0.0014","10.6516","0.0005","14.9143","0.0008","90","","116.751","0.002","90","","4029","0.4","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H15 F3 N2 O4 -","- C22 H15 F3 N2 O4 -","- C176 H120 F24 N16 O32 -","8","2","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.0421","0.0376","","","0.0983","0.1007","","","","","","1.048","","","","has coordinates","275053","2022-05-05","20:53:35",""
"7158794","14.0585","0.0009","6.5274","0.0003","19.2202","0.0011","90","","106.051","0.002","90","","1694.99","0.17","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Hu, Sen-Jie; Jiang, Li-Lin; Qiu, Hui; Luo, Chun-Mei; Guan, Yu-Tao; Li, Long; Dong, Youren; Lei, Ke-Wei; Wei, Wen-Ting","Cyclization/hydrolysis of 1,5-enenitriles initiated by sulfonyl radicals in the aqueous phase in the presence of the I2/TBHP system","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01124G","","","0.71073","MoKα","","0.0532","0.0406","","","0.0846","0.0951","","","","","","1.079","","","","has coordinates","276937","2022-07-26","00:46:29",""
"7158882","21.345","0.003","3.9444","0.0005","14.7541","0.0019","90","","100.455","0.005","90","","1221.6","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H9 Cl O S -","- C15 H9 Cl O S -","- C60 H36 Cl4 O4 S4 -","4","1","","Soundarya, Palanisamy; Sekar, Govindasamy","Cu-Catalyzed and iodine mediated synthesis of thioaurones via in situ C–S bond generation using xanthate as a sulfur surrogate","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01211A","","","0.71073","MoKα","","0.0322","0.0278","","","0.0582","0.0614","","","","","","1.041","","","","has coordinates","277822","2022-09-14","00:30:27",""
"7159449","9.7031","0.0007","10.4099","0.0007","17.796","0.001","90","","95.421","0.002","90","","1789.5","0.2","100","0.2","100","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Yang, Dezhi; Zhu, Meng; Wang, Taimin; He, Yixuan; Xie, Lang; Zhang, Jiayong; Cheng, Bin","Catalyst-free inverse-electron-demand aza-Diels-Alder reaction of 4,4-dicyano-2-methylenebut-3-enoates and 1,3,5-triazinanes: access to polysubstituted tetrahydropyridines.","Organic & biomolecular chemistry","2023","21","26","5413","5418","10.1039/d3ob00511a","","x-ray","0.71073","MoKα","","0.0303","0.0286","","","0.0728","0.074","","","","","","1.048","","","","has coordinates","285010","2023-07-06","00:43:41",""
"7159549","11.5249","0.0009","11.4884","0.001","22.947","0.003","90","","98.346","0.008","90","","3006.1","0.5","114.85","0.1","114.85","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","","Lan, Wenjie; Yu, Xuan; Li, Mengzhu; Lei, Rongchao; Qin, Zhaohai; Fu, Bin","A concise approach to 2-pyrrolin-5-one scaffold construction from α-halohydroxamates and β-keto compounds.","Organic & biomolecular chemistry","2023","21","37","7535","7540","10.1039/d3ob01140b","","x-ray","0.71073","MoKα","","0.071","0.0551","","","0.1118","0.1253","","","","","","1.023","","","","has coordinates","286788","2023-10-06","00:44:46",""
"7159578","9.22","0.003","27.478","0.009","8.339","0.003","90","","118.518","0.011","90","","1856.3","1.1","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H16 Br N O6 -","- C17 H16 Br N O6 -","- C68 H64 Br4 N4 O24 -","4","1","","Li, Yu; Wang, Mei; Ma, Rongrong; Niu, Rui; Wang, Haodong; Zhang, Yantu; Lin, Jun-Bing","Organocatalytic allylic alkylation of alkyne-substituted MBH carbonates: access to quaternary carbon-containing 1,4-enynes.","Organic & biomolecular chemistry","2023","21","41","8263","8266","10.1039/d3ob01317k","","x-ray","0.71073","MoKα","","0.0622","0.0398","","","0.0831","0.0926","","","","","","1.033","","","","has coordinates","287407","2023-11-06","08:19:46",""
"7159629","11.028","0.005","24.273","0.011","8.467","0.004","90","","123.455","0.013","90","","1891","1.5","297","2","297.26","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Roy, Pritam; Anjum, S. Rehana; Sanwal, Shyam D.; Ramachary, Dhevalapally B.","Direct organocatalytic transfer hydrogenation and C-H oxidation: high-yielding synthesis of 3-hydroxy-3-alkyloxindoles.","Organic & biomolecular chemistry","2023","21","41","8335","8343","10.1039/d3ob01264f","","x-ray","0.71073","MoKα","","0.2097","0.0778","","","0.1194","0.1492","","","","","","1.004","","","","has coordinates","287279","2023-11-05","12:47:20",""
"7159692","13.9745","0.0006","20.9846","0.0008","7.8209","0.0004","90","","119.645","0.001","90","","1993.27","0.15","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H21 F N2 O2 -","- C25 H21 F N2 O2 -","- C100 H84 F4 N8 O8 -","4","1","","Takallou, Ahmad; Al-Siyabi, Munir; Al-Shidhani, Sulaiman; Lotfi Nosood, Yazdanbakhsh; Habibi, Azizollah; Almaani, Alhajaj; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Preparation of pyridopyrazines through tandem Pd-catalyzed C-N/C-C coupling reactions of Ugi adducts.","Organic & biomolecular chemistry","2023","21","48","9530","9533","10.1039/d3ob01768k","","x-ray","0.71073","MoKα","","0.0462","0.035","","","0.0788","0.0877","","","","","","1.068","","","","has coordinates","288890","2024-01-06","09:40:43",""
"7200190","14.6453","0.0012","16.9993","0.0013","10.4297","0.0008","90","","120.913","0.001","90","","2227.7","0.3","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H25 Cd N3 O8 -","- C20 H25 Cd N3 O8 -","- C80 H100 Cd4 N12 O32 -","4","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0175","0.0172","","","0.0413","0.0415","","","","","","1.057","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200212","21.179","0.0005","17.0734","0.0004","16.6258","0.0004","90","","114.634","0.001","90","","5464.7","0.2","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","cocrystal pentafluorophenol * pentafluoroaniline 6:3","cocrystal pentafluorophenol * pentafluoroaniline 6:3","","- C18 H4 F15 N O2 -","- C18 H4 F15 N O2 -","- C216 H48 F180 N12 O24 -","12","3","","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Additive induced polymorphism. The pentafluorophenol‒pentafluoroaniline system","CrystEngComm","2009","11","2","229","231","10.1039/b810088h","","","0.71073","MoKα","","0.0826","0.0446","","","0.1293","0.1612","","","","","","1.011","","","","has coordinates","218383","2020-10-21","18:00:00",""
"7200243","11.6347","0.0005","14.9993","0.0008","7.9794","0.0004","90","","91.496","0.003","90","","1392.03","0.12","120","2","120","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","[Adenine hydroxide] [3,5-dihydroxybenzoic acid hydrate]","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.069","0.0572","","","0.1166","0.1245","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200247","46.0671","0.0008","6.2813","0.0001","7.4605","0.0002","90","","96.0684","0.0013","90","","2146.68","0.08","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C112 H88 N24 -","8","2","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0364","0.0335","","","0.0849","0.0867","","","","","","1.058","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200456","15.3099","0.001","27.9468","0.0018","15.7112","0.001","90","","114.862","0.001","90","","6099.2","0.7","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H42 N4 Ni2 O9 S2 -","- C44 H42 N4 Ni2 O9 S2 -","- C176 H168 N16 Ni8 O36 S8 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0591","0.0543","","","0.1458","0.1506","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200482","8.8554","0.0011","19.877","0.002","26.017","0.003","90","","97.727","0.002","90","","4537.9","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H46 N8 Ni2 O11 -","- C48 H46 N8 Ni2 O11 -","- C192 H184 N32 Ni8 O44 -","4","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0845","0.0543","","","0.0854","0.0947","","","","","","0.878","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200746","9.5958","0.0006","16.1908","0.0014","6.6678","0.0009","90","","98","0.009","90","","1025.85","0.18","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H9 Cl2 N O6 -","- C6 H9 Cl2 N O6 -","- C24 H36 Cl8 N4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0319","","","","0.0893","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200765","12.278","0.001","12.33","0.001","31.945","0.004","90","","94.37","0.002","90","","4822","0.8","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ni(terpyPh)2](PF6)2.4MeCN","","","- C50 H42 F12 N10 Ni P2 -","- C50 H42 F12 N10 Ni P2 -","- C200 H168 F48 N40 Ni4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0485","0.0465","","","0.099","0.0999","","","","","","1.008","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200766","12.465","0.002","12.546","0.002","32.51","0.004","90","","94.74","0.02","90","","5066.7","1.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ru(terpyPh)2](PF6)2.4MeCN","","","- C50 H42 F12 N10 P2 Ru -","- C50 H42 F12 N10 P2 Ru -","- C200 H168 F48 N40 P8 Ru4 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0533","0.052","","","0.1181","0.1186","","","","","","1.071","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200846","17.8166","0.0008","20.4976","0.0009","19.134","0.0007","90","","90.607","0.003","90","","6987.3","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H68 N28 O35 U2 -","- C44 H46 N28 O35 U2 -","- C176 H184 N112 O140 U8 -","4","1","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0662","0.0608","","","0.1611","0.1638","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200869","4.6442","0.0012","17.67","0.004","13.313","0.003","90","","100.024","0.002","90","","1075.8","0.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 Cl2 N2 -","- C11 H10 Cl2 N2 -","- C44 H40 Cl8 N8 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.6905","synchrotron","","0.038","0.038","","","0.104","0.105","","","","","","1.11","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200917","22.763","0.003","4.9872","0.0005","13.6097","0.0015","90","","95.969","0.002","90","","1536.6","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C84 H56 O8 S4 -","4","1","","Imai, Yoshitane; Kinuta, Takafumi; Nagasaki, Keiko; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Sasaki, Yoh; Kuroda, Reiko; Matsubara, Yoshio","Conformational and color polymorphism of achiral 2-methyl-3-(2-naphthalenylthio)-1,4-naphthalenedione","CrystEngComm","2009","11","7","1223","","10.1039/b900806c","","","0.71073","MoKα","","0.0561","0.0472","","","0.1192","0.1259","","","","","","1.062","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200946","13.7305","0.0009","13.7537","0.0012","23.967","0.002","90","","92.89","0.005","90","","4520.3","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H24 Cl4 N12 O8 Zn4 -","- C36 H24 Cl4 N12 O8 Zn4 -","- C144 H96 Cl16 N48 O32 Zn16 -","4","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.0782","0.0608","","","0.1487","0.1621","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200955","5.3007","0.0004","19.374","0.002","10.078","0.0009","90","","94.012","0.006","90","","1032.43","0.16","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7","","- C8 H14 N2 O5 -","- C8 H14 N2 O5 -","- C32 H56 N8 O20 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0559","0.0421","","","0.1024","0.1112","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201038","17.535","0.004","8.4677","0.0016","19.207","0.004","90","","111.483","0.016","90","","2653.7","1","289","2","289","2","","","","","","","","5","C 1 c 1","C -2yc","9","Trisodium tris(2,2?-oxydiacetato)-gadolinium(iii) hexaahydrate","Trisodium tris(2,2?-oxydiacetato)-gadolinium(III) hexaahydrate","","- C12 H28 Gd Na3 O23 -","- C12 H12 Gd Na3 O23 -","- C48 H48 Gd4 Na12 O92 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0217","0.0206","","","0.0542","0.0546","","","","","","0.905","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201070","12.716","0.004","12.44","0.005","19.237","0.007","90","","98.135","0.017","90","","3012.4","1.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,2':6',2''-terpyridine)ruthenium(ii) ditetrafluoroborate","Bis(2,2':6',2''-terpyridine)ruthenium(II) ditetrafluoroborate","","- C30 H22 B2 F8 N6 Ru -","- C30 H22 B2 F8 N6 Ru -","- C120 H88 B8 F32 N24 Ru4 -","4","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, James A.; Halcrow, Malcolm A.","Co-crystallising two functional complex molecules in a terpyridine embrace lattice","CrystEngComm","2009","11","10","2069","","10.1039/b904528g","","","0.71073","MoKα","","0.056","0.0515","","","0.1265","0.1302","","","","","","1.083","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201078","10.9927","0.0008","12.5852","0.0009","10.1326","0.0006","90","","94.364","0.002","90","","1397.73","0.16","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile","2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Kwon, O-Pil; Jazbinsek, Mojca; Yun, Hoseop; Seo, Jung-In; Seo, Ji-Youn; Kwon, Seong-Ji; Lee, Yoon Sup; Günter, Peter","Crystal engineering by eliminating weak hydrogen bonding sites in phenolic polyene nonlinear optical crystals","CrystEngComm","2009","11","8","1541","","10.1039/b904688g","","","0.71073","MoKα","","0.0388","0.0345","","","0.1051","0.1123","","","","","","1.118","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201115","24.831","0.005","9.586","0.005","10.703","0.005","90","","98.294","0.005","90","","2521","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H20 N2 O4 Zn -","- C29 H20 N2 O4 Zn -","- C116 H80 N8 O16 Zn4 -","4","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.0445","0.0394","","","0.0953","0.098","","","","","","0.976","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201299","14.2332","0.0015","17.1597","0.0018","8.6468","0.001","90","","102.428","0.002","90","","2062.4","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H21 Cd N5 O7 -","- C18 H21 Cd N5 O7 -","- C72 H84 Cd4 N20 O28 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0559","0.0461","","","0.118","0.1287","","","","","","1.055","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201598","17.2837","0.0014","9.9314","0.0008","7.0022","0.0006","90","","97.464","0.002","90","","1191.75","0.17","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","2","","","- C12 H8 N2 O5 Sr -","- C12 H6 N2 O5 Sr -","- C48 H24 N8 O20 Sr4 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0365","0.0357","","","0.0863","0.0865","","","","","","1.107","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201608","10.5816","0.0008","14.0388","0.001","14.5487","0.0012","90","","94.38","0.005","90","","2154.9","0.3","123","1","123","1","","","","","","","","5","C 1 c 1","C -2yc","9","[Cu(O2CCCCO2)(3,5-Me2Py)(MeOH)].MeOH","[Cu(O2CCCCO2)(3,5-Me2Py)(MeOH)].MeOH","","- C20 H26 Cu N2 O6 -","- C20 H26 Cu N2 O6 -","- C80 H104 Cu4 N8 O24 -","4","1","","Turner, David R.; Strachan-Hatton, Joshua; Batten, Stuart R.","Steric control of 4-connected network topology in hydrogen bonded coordination polymers","CrystEngComm","2008","10","1","34","","10.1039/b711891k","","","0.71073","MoKα","","0.0747","0.0483","","","0.1027","0.113","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201667","7.81357","0.00009","20.39273","0.00027","6.849","0.00008","90","","92.4813","0.0007","90","","1090.3","0.02","300","","","","","","","","","","","4","C 1 c 1","C -2yc","9","Zn+1,3-adamantandicarboxylsyre","","","- C12 H14 O4 Zn -","- C12 H14 O4 Zn -","- C48 H56 O16 Zn4 -","4","1","","Nielsen, Renie Birkedal; Kongshaug, Kjell Ove; Fjellvåg, Helmer","Delamination, synthesis, crystal structure and thermal properties of the layered metal-organic compound Zn(C12H14O4)","Journal of Materials Chemistry","2008","18","9","1002","","10.1039/b712479a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201694","7.894","0.002","21.662","0.006","7.747","0.002","90","","115.645","0.004","90","","1194.2","0.5","291","2","291","2","","","","","","","see text","3","C 1 c 1","C -2yc","9","(3aR*,4R*,9R*,9aS*)-9-(hydroxymethyl)-2,2-dimethyl-3a,4,9,9a- tetrahydrocycloocta(d)(1,3)dioxol-4-ol","(3aR*,4R*,9R*,9aS*)-9-(hydroxymethyl)-2,2-dimethyl- 3a,4,9,9a-tetrahydrocycloocta[d][1,3]dioxol-4-ol","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Pallavi, Kotapalli","Understanding the self-assembling process in crystalline cyclooctitols: an insight into the conformational flexibility of medium-sized rings","CrystEngComm","2008","10","5","534","","10.1039/b712877k","","x-ray","0.71073","MoKα","","0.0404","0.0364","","","0.0855","0.0875","","","","","","1.159","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201732","20.996","0.0019","10.4617","0.001","15.1265","0.0014","90","","112.473","0.001","90","","3070.3","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H31 Cl2 N O8 Pt S -","- C31 H31 Cl2 N O8 Pt S -","- C124 H124 Cl8 N4 O32 Pt4 S4 -","4","1","","Venkatesan, Koushik; Kouwer, Paul H. J.; Yagi, Shigeyuki; Müller, Peter; Swager, Timothy M.","Columnar mesophases from half-discoid platinum cyclometalated metallomesogens","Journal of Materials Chemistry","2008","18","4","400","","10.1039/b714291a","","","0.71073","MoKα","","0.015","0.0142","","","0.0248","0.025","","","","","","0.988","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7202143","26.444","0.0013","13.126","0.0016","31.572","0.003","90","0.005","109.506","0.006","90","0.006","10329.8","1.7","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","calix(4)arene dihydroxyphosphonic acid Chlorhexidine","calix[4]arene dihydroxyphosphonic acid Chlorhexidine","","- C168 H230 Cl4 K4 N20 O69 P8 -","- C168 H190 Cl4 K4 N20 O69 P8 -","- C336 H380 Cl8 K8 N40 O138 P16 -","2","0.5","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.1038","0.0714","","","0.1695","0.1879","","","","","","1.005","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202232","15.712","0.0017","9.3505","0.001","18.7239","0.0019","90","","99.482","0.002","90","","2713.2","0.5","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H26 Ag3 N5 O9 S2 -","- C18 H26 Ag3 N5 O9 S2 -","- C72 H104 Ag12 N20 O36 S8 -","4","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.0233","0.0219","","","0.0492","0.0499","","","","","","1.063","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202253","14.5","0.005","18.577","0.005","15.394","0.005","90","","103.97","0.03","90","","4024","2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H41 Cd2 N5 O17 -","- C32 H25 Cd2 N5 O17 -","- C128 H100 Cd8 N20 O68 -","4","1","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.0743","0.0493","","","0.127","0.1871","","","","","","1.078","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202370","15.154","0.009","11.571","0.007","8.027","0.005","90","","111.637","0.01","90","","1308.3","1.4","300","2","300","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C56 H32 S16 -","4","1","","Brillante, Aldo; Bilotti, Ivano; Della Valle, Raffaele Guido; Venuti, Elisabetta; Milita, Silvia; Dionigi, Chiara; Borgatti, Francesco; Lazar, Adina Nicoleta; Biscarini, Fabio; Mas-Torrent, Marta; Oxtoby, Neil S.; Crivillers, Nuria; Veciana, Jaume; Rovira, Concepció; Leufgen, Michael; Schmidt, Georg; Molenkamp, Laurens W.","The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene","CrystEngComm","2008","10","12","1899","","10.1039/b810993a","","","0.71073","MoKα","","0.0786","0.0553","","","0.1242","0.1343","","","","","","0.943","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202473","11.0586","0.0006","25.0054","0.0011","9.3633","0.0007","90","","108.299","0.002","90","","2458.3","0.3","296","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H30 N O -","- C31 H30 N O -","- C124 H120 N4 O4 -","4","1","","Oka, Hiroyuki; Kouno, Hiroshi; Tanaka, Hitoshi","Synthesis and through-bond spin interaction of stable 1,3-phenylene-linked polyradical carrying aminoxyls in the ?-conjugated main chain","Journal of Materials Chemistry","2007","17","12","1209","","10.1039/b610365k","","","1.54178","CuKα","","0.0494","0.0451","","","0.1087","0.1142","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202684","21.1635","0.0016","5.6554","0.0004","16.5577","0.0013","90","","114.797","0.007","90","","1799","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2,3,4,5,6-pentafluorophenol 2,3,4,5,6-pentafluoroaniline 2:1 adduct","","- C18 H4 F15 N O2 -","- C18 H4 F15 N O2 -","- C72 H16 F60 N4 O8 -","4","1","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0431","0.0313","","","0.0573","0.0608","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202732","24","0.02","15.522","0.016","16.523","0.017","90","","133.517","0.003","90","","4464","7","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Co2 N16 O14 -","- C40 H40 Co2 N16 O14 -","- C160 H160 Co8 N64 O56 -","4","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.0659","0.0545","","","0.1183","0.1229","","","","","","1.094","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202819","10.0234","0.0017","10.8158","0.0018","14.61","0.002","90","","99.832","0.003","90","","1560.6","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H18 N4 O5 -","- C14 H18 N4 O5 -","- C56 H72 N16 O20 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.0441","0.0354","","","0.0977","0.1021","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202997","11.9753","0.0008","23.2559","0.0016","6.8413","0.0005","90","","110.384","0.001","90","","1786","0.2","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","C2HN6O4, C2H5N4, 2(C2H4N4), H2O","","","- C8 H16 N18 O5 -","- C8 H16 N18 O5 -","- C32 H64 N72 O20 -","4","1","","Zhuo Zeng; Haixiang Gao; Brendan Twamley; Jean'ne M. Shreeve","Energetic mono and dibasic 5-dinitromethyltetrazolates: synthesis, properties, and particle processing","Journal of Materials Chemistry","2007","17","36","3819","","10.1039/b708041g","","","0.71073","MoKα","","0.0382","0.0336","","","0.0752","0.0774","","","","","","1.035","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203282","17.5096","0.0004","33.7329","0.0007","15.2861","0.0004","90","","98.121","0.001","90","","8938.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H69 Co4 N20 O19 -","- C88 H54 Co4 N20 O19 -","- C352 H216 Co16 N80 O76 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0924","0.0685","","","0.15","0.1711","","","","","","1.134","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203364","9.336","0.005","25.97","0.009","8.25","0.005","90","","106.045","0.005","90","","1922.3","1.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H22 Cu O7 -","- C19 H22 Cu O7 -","- C76 H88 Cu4 O28 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1954","0.12","","","0.1728","0.2035","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203656","13.581","0.004","30.358","0.011","8.693","0.003","90","","125.803","0.019","90","","2906.8","1.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C104 H136 N24 O24 S8 -","8","2","","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","","","0.6894","Synchrotron","","0.0547","0.0447","","","0.1126","0.1178","","","","","","0.99","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203805","32.8784","0.0002","9.628","0.0004","26.7125","0.0008","90","","98.853","0.002","90","","8355.2","0.4","233","2","233","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H28 Cu3 N12 S24 Se12 -","- C64 H28 Cu3 N12 S24 Se12 -","- C256 H112 Cu12 N48 S96 Se48 -","4","1","","Dias, João C.; Ribas, Xavi; Morgado, Jorge; Seiça, João; Lopes, Elsa B.; Santos, Isabel C.; Henriques, Rui T.; Almeida, Manuel; Wurst, Klaus; Foury-Leylekian, Pascale; Canadell, Enric; Vidal-Gancedo, José; Veciana, Jaume; Rovira, Concepció","Multistability in a family of DT‒TTF organic radical based compounds (DT‒TTF)4[M(L)2]3 (M = Au, Cu; L = pds, pdt, bdt)","Journal of Materials Chemistry","2005","15","31","3187","","10.1039/b505724h","","","0.71073","MoKα","","0.0764","0.0496","","","0.0888","0.0966","","","","","","1.023","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203806","32.5313","0.0002","9.4923","0.0004","26.3669","0.0007","90","","99.166","0.002","90","","8038.1","0.4","233","2","233","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H28 Cu3 N12 S36 -","- C64 H28 Cu3 N12 S36 -","- C256 H112 Cu12 N48 S144 -","4","1","","Dias, João C.; Ribas, Xavi; Morgado, Jorge; Seiça, João; Lopes, Elsa B.; Santos, Isabel C.; Henriques, Rui T.; Almeida, Manuel; Wurst, Klaus; Foury-Leylekian, Pascale; Canadell, Enric; Vidal-Gancedo, José; Veciana, Jaume; Rovira, Concepció","Multistability in a family of DT‒TTF organic radical based compounds (DT‒TTF)4[M(L)2]3 (M = Au, Cu; L = pds, pdt, bdt)","Journal of Materials Chemistry","2005","15","31","3187","","10.1039/b505724h","","","0.71073","MoKα","","0.0656","0.0418","","","0.0761","0.0826","","","","","","1.023","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203876","32.65","0.01","15.601","0.005","19.141","0.008","90","","102.95","0.03","90","","9502","6","493.2","","493.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C55.75 H44 O4 P2 -","- C57.5 H44 O4 P2 -","- C460 H352 O32 P16 -","8","2","","Aitken, R. Alan; Karodia, Nazira; Lightfoot, Philip","The solid state conformation of oxo stabilised ylides: X-ray structures of four new polyoxo phosphorus ylides","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","333","","10.1039/a905747a","","","0.7107","MoKalpha","","","0.1068","","","0.1419","","","","","5.174","5.174","","","","","has coordinates","208379","2020-10-21","18:00:00",""
"7204231","10.12","0.002","11.74","0.002","25.984","0.005","90","","91.78","0.03","90","","3085.6","1","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 Cl2 N O4 -","- C15 H15 Cl2 N O4 -","- C120 H120 Cl16 N8 O32 -","8","2","","Alves, M. José; Azoia, Nuno G.; Bickley, Jamie F.; Fortes, A. Gil; Gilchrist, Thomas L.; Mendonça, Ricardo","Diels‒Alder reactions of alkyl 2H-azirine-3-carboxylates with furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2969","","10.1039/b106985n","","","0.71073","MoKα","","0.058","0.0434","","","0.1054","0.1109","","","","","","0.951","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204286","9.8062","0.0007","22.3707","0.0015","8.49","0.0006","90","","115.914","0.001","90","","1675.2","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H16 Cl2 O2 -","- C20 H16 Cl2 O2 -","- C80 H64 Cl8 O8 -","4","1","","Rashidi-Ranjbar, Parviz; Kianmehr, Ebrahim; Wang, Sue-Lein; Liao, Fen-Ling","The stereochemistry of the stable conformational diastereomers in substituted dihydrodibenzo[ef,kl]heptalenes, the doubly bridged biphenyls. Synthesis, structural elucidation and barrier to conformational diastereomerismElectronic supplementary information (ESI) available: Tables I‒III comparing X-ray structural data for 2Aendo‒exo, 1Aendo‒exo and 1Aexo‒exo with AM1 calculations. See http://www.rsc.org/suppdata/p2/b1/b109336n/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","545","","10.1039/b109336n","","","0.71073","MoKα","","0.0434","0.042","","","0.115","0.1173","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204419","13.2413","0.0011","12.5696","0.0008","15.3847","0.0011","90","","95.004","0.006","90","","2550.8","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7,7-bis(N,N-dimethylethylenediamino)-8,8- dicyanoquinodimethane : terephthalic acid","","- C26 H32 N6 O4 -","- C26 H32 N6 O4 -","- C104 H128 N24 O16 -","4","1","","Jayanty, S.; Gangopadhyay, P.; Radhakrishnan, T. P.","Steering molecular dipoles from centrosymmetric to a noncentrosymmetric and SHG active assembly using remote functionality and complexationElectronic supplementary information (ESI) available: powder SHG variation with particle size for DMEDQ-TPA. See http://www.rsc.org/suppdata/jm/b2/b202804m/","Journal of Materials Chemistry","2002","12","9","2792","","10.1039/b202804m","","","0.71073","MoKα","","0.1131","0.0502","","","0.1171","0.1173","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204901","12.717","0.003","12.894","0.003","7.274","0.001","90","","118.49","0.03","90","","1048.3","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H6 Bi Cl4 N -","- C5 H6 Bi Cl4 N -","- C20 H24 Bi4 Cl16 N4 -","4","1","","Jóźków, Jolanta; Medycki, Wojciech; Zaleski, Jacek; Jakubas, Ryszard; Bator, Grażyna; Ciunik, Zbigniew","Structure, phase transition and molecular motions in (C5H5NH)BiCl4","Physical Chemistry Chemical Physics","2001","3","15","3222","","10.1039/b102697f","","","0.71073","MoKα","","0.034","0.0268","","","0.0693","0.0718","","","","","","1.129","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7204988","20.531","0.004","7.434","0.001","16.899","0.003","90","","105.34","0.03","90","","2487.4","0.8","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","bis(2-methyl-1,4-naphthylene)-22-crown-6","","- C30 H32 O6 -","- C30 H32 O6 -","- C120 H128 O24 -","4","1","","Zhang, Wei; Shao, Xiangfeng; Yang, Li; Liu, Zhong-Li; Chow, Yuan L.","Photochemical reactions of diazodihydronaphthalenonesThese compounds are often referred to as naphthoquinone diazides in the literature. in cyclic ethers","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","1029","","10.1039/b106968n","","","0.71073","MoKα","","0.0845","0.0385","","","0.1007","0.1391","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205141","14.0039","0.0005","28.8677","0.0011","13.6293","0.0005","90","","118.546","0.001","90","","4840","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H36 Cd3 N4 O17 -","- C54 H36 Cd3 N4 O17 -","- C216 H144 Cd12 N16 O68 -","4","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.0184","0.0172","","","0.0462","0.0555","","","","","","1.15","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205212","8.2329","0.0016","25.653","0.005","12.817","0.003","90","","101.72","0.03","90","","2650.5","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H20 N4 O8 Zn -","- C27 H20 N4 O8 Zn -","- C108 H80 N16 O32 Zn4 -","4","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0419","0.0344","","","0.0767","0.0799","","","","","","1.068","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205220","19.013","0.0004","9.2","0.0005","18.482","0.0008","90","","97.268","0.001","90","","3206.9","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 N8 O12 V4 Zn2 -","- C20 H28 N8 O12 V4 Zn2 -","- C80 H112 N32 O48 V16 Zn8 -","4","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0337","0.0318","","","0.0719","0.0727","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205344","17.8507","0.0007","21.4219","0.0007","9.0526","0.0005","90","","108.98","0.02","90","","3273.5","0.5","120","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H32 N2 P2 Pt -","- C40 H32 N2 P2 Pt -","- C160 H128 N8 P8 Pt4 -","4","1","","Li, Xing; Zha, Mei-Qin; Gao, Shui-Ying; Low, Paul J.; Wu, Yuan-Zhao; Gan, Ning; Cao, Rong","Synthesis, photoluminescence, catalysis and multilayer film assembly of an ethynylpyridine platinum compound","CrystEngComm","2011","13","3","920","","10.1039/c0ce00382d","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205435","33.834","0.007","6.0198","0.0012","14.566","0.003","90","","109.49","0.03","90","","2796.7","1.1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H18 Ag4 N4 O9 -","- C28 H18 Ag4 N4 O9 -","- C112 H72 Ag16 N16 O36 -","4","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0179","0.0173","","","0.0408","0.0424","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205465","16.8129","0.0018","57.479","0.004","9.5157","0.0013","90","","98.392","0.001","90","","9097.4","1.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H80 Cd4 I8 N24 -","- C72 H80 Cd4 I8 N24 -","- C288 H320 Cd16 I32 N96 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.1302","0.0615","","","0.1389","0.178","","","","","","1.044","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205656","11.982","0.003","21.272","0.006","12.948","0.003","90","","110.586","0.003","90","","3089.5","1.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","DMF","","","- C35 H23 N5 O13 -","- C35 H23 N5 O13 -","- C140 H92 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0456","0.0392","","","0.105","0.1094","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205657","11.918","0.003","21.169","0.005","13.55","0.003","90","","110.775","0.002","90","","3196.3","1.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H25 N5 O13 -","- C36 H25 N5 O13 -","- C144 H100 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0537","0.0526","","","0.1573","0.1582","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205658","12.2118","0.0013","21.065","0.002","13.1639","0.0015","90","","110.508","0.002","90","","3171.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C74 H50 N10 O26 -","- C74 H50 N10 O26 -","- C148 H100 N20 O52 -","2","0.5","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0605","0.0462","","","0.1005","0.1068","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205810","22.2021","0.001","19.4371","0.0009","15.8554","0.0006","90","","130.596","0.0009","90","","5195.5","0.4","173.1","","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C100 H72 K8 O23 S16 -","- C100 H72 K8 O23 S16 -","- C200 H144 K16 O46 S32 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements","CrystEngComm","2011","13","7","2494","","10.1039/c0ce00824a","","","0.71075","MoKα","","0.0661","0.0552","","","0.1577","0.1851","","","","","","1.379","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7206273","9.1045","0.0003","19.8708","0.0006","26.5094","0.0008","90","","97.067","0.002","90","","4759.5","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H46 N8 Ni2 O11 -","- C50 H44 N8 Ni2 O11 -","- C200 H176 N32 Ni8 O44 -","4","1","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0609","0.0488","","","0.1302","0.1386","","","","","","1.001","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206373","13.0101","0.0006","10.4826","0.0003","9.7957","0.0004","90","","122.729","0.006","90","","1123.84","0.11","294","2","294","1","","","","","","","","4","C 1 c 1","C -2yc","9","NpoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 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","","0.036","0.03","","","0.0785","0.0805","","","","","","0.993","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206420","11.544","0.0003","11.5528","0.0003","20.0656","0.0005","90","","100.481","0.003","90","","2631.41","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C64 H32 Cl32 N32 O48 -","16","4","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0261","0.0235","","","0.0567","0.0572","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206546","20.806","0.003","17.767","0.003","25.939","0.004","90","","98.751","0.002","90","","9477","3","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H27 Ag F3 Fe N6 O9 S -","- C40 H27 Ag F3 Fe N6 O9 S -","- C320 H216 Ag8 F24 Fe8 N48 O72 S8 -","8","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1507","0.0996","","0.3047","0.2708","","","","0.936","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206584","25.731","0.0016","8.072","0.0007","18.411","0.0016","90","","106.441","0.003","90","","3667.6","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H20 Au N4 -","- C19 H20 Au N4 -","- C152 H160 Au8 N32 -","8","2","","Lacroix, Pascal G.; Munoz, M. Carmen; Gaspar, Ana Belén; Real, José Antonio; Bonhommeau, Sébastien; Rodriguez, Vincent; Nakatani, Keitaro","Synthesis, crystal structures, and solid state quadratic nonlinear optical properties of a series of stilbazolium cations combined with gold cyanide counter-ion","Journal of Materials Chemistry","2011","21","40","15940","","10.1039/c1jm12105g","","","0.71073","MoKα","","0.1041","0.0522","","","0.0911","0.1114","","","","","","1.046","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206604","10.178","0.002","19.652","0.004","8.1846","0.0016","90","","116.79","0.03","90","","1461.4","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H9 I2 N3 Pb -","- C12 H9 I2 N3 Pb -","- C48 H36 I8 N12 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.0598","0.0542","","","0.1292","0.1439","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206723","13.9206","0.0017","18.112","0.002","26.968","0.003","90","","100.037","0.002","90","","6695.4","1.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Ag F6 N4 O4 P -","- C34 H28 Ag F6 N4 O4 P -","- C272 H224 Ag8 F48 N32 O32 P8 -","8","2","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0632","0.0529","","","0.131","0.1394","","","","","","1.021","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206747","30.3206","0.0018","7.247","0.0003","19.337","0.0009","90","","106.844","0.002","90","","4066.7","0.4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H82 Mn6 N8 O51 -","- C60 H28 Mn6 N8 O51 -","- C120 H56 Mn12 N16 O102 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","0.71073","MoKα","","0.08","0.0519","","","0.1312","0.1813","","","","","","1.076","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206851","8.4634","0.0003","13.0284","0.0005","11.8917","0.0006","90","","96.821","0.001","90","","1301.95","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 N2 O6 U -","- C12 H8 N2 O6 U -","- C48 H32 N8 O24 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","","0.0433","0.0341","","","0.0721","0.0754","","","","","","1.088","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206973","16.475","0.003","20.866","0.004","12.955","0.002","90","","92.389","0.002","90","","4449.6","1.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H46 Cu2 N4 O13 -","- C44 H46 Cu2 N4 O13 -","- C176 H184 Cu8 N16 O52 -","4","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.0562","0.0407","","","0.088","0.0951","","","","","","1.029","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206993","10.501","0.008","30.32","0.02","18.838","0.014","90","","101.453","0.015","90","","5878","7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H72 O16 S4 -","- C54 H72 O16 S4 -","- C216 H288 O64 S16 -","4","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1585","0.1143","","","0.2411","0.2646","","","","","","1.117","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207107","13.359","0.003","11.451","0.003","9.571","0.002","90","","117.517","0.004","90","","1298.5","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0362","0.0346","","","0.0823","0.0835","","","","","","1.134","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207116","13.6729","0.0008","9.0043","0.0006","13.8349","0.0008","90","","90.388","0.005","90","","1703.24","0.18","294","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","none","2-(2-(4-chloro-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) phthalazin-1(2H)-one","","- C16 H13 Cl N6 O3 S -","- C16 H13 Cl N6 O3 S -","- C64 H52 Cl4 N24 O12 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0319","0.0315","","","0.0812","0.0816","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207328","10.081","0.002","22.229","0.004","9.462","0.0019","90","","114.5","0.03","90","","1929.4","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H14 Ag Ho N4 O11 -","- C18 H14 Ag Ho N4 O11 -","- C72 H56 Ag4 Ho4 N16 O44 -","4","1","","Ding, Fu; Song, Xiao; Jiang, Bing; Smet, Philippe F.; Poelman, Dirk; Xiong, Gang; Wu, Yong-Li; Gao, En-Jun; Verpoort, Francis; Sun, Ya-Guang","Two new Ln/Ag heterometallic-based conversion phosphors constructed by 1H-benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","5","1753","","10.1039/c1ce06012k","","","0.71073","MoKα","","0.0217","0.0213","","","0.0525","0.0527","","","","","","0.973","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207367","11.1185","0.0016","10.599","0.0015","9.7609","0.0013","90","","116.445","0.002","90","","1029.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0374","0.0372","","","0.0938","0.0941","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207562","8.415","0.004","16.247","0.007","7.729","0.003","90","","112.6","0.03","90","","975.6","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N'-cyclobutylidene-4-hydroxybenzohydrazide'","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0571","0.043","","","0.106","0.1165","","","","","","1.109","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207623","11.3275","0.0012","20.489","0.002","7.8699","0.0008","90","","131.549","0.001","90","","1366.9","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C56 H60 N4 O20 S4 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0341","0.0326","","","0.0837","0.0851","","","","","","1.063","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207734","15.7503","0.0009","20.5096","0.0013","23.2073","0.0013","90","","90.092","0.002","90","","7496.7","0.8","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,6,8,10,12-hexanitrohexaazaisowurtzitane:","","- C13.33 H15.67 N16 O18.67 -","- C13.3333 H15.6667 N16 O18.6667 -","- C160 H188 N192 O224 -","12","3","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.71073","MoKα","","0.0627","0.0535","","0.1336","0.1264","0.1336","","","","","","0.9669","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207801","7.0111","0.0004","10.3913","0.0003","17.7538","0.0011","90","","94.186","0.006","90","","1289.99","0.12","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0364","0.0283","","","0.0521","0.0537","","","","","","0.927","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207816","18.49","0.004","12.4","0.003","25","0.005","90","","107.99","0.03","90","","5452","2","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H52 Cd2 N8 O16 S2 -","- C54 H52 Cd2 N8 O16 S2 -","- C216 H208 Cd8 N32 O64 S8 -","4","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0466","0.041","","","0.0971","0.1016","","","","","","1.023","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207877","47.055","0.004","6.1619","0.0005","8.4473","0.0007","90","","100.263","0.003","90","","2410.1","0.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H28 Cd O7 -","- C28 H28 Cd O7 -","- C112 H112 Cd4 O28 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0253","0.0241","","","0.0593","0.0602","","","","","","1.033","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7208044","11.05","0.003","14.2","0.003","10.068","0.002","90","","95.397","0.016","90","","1572.8","0.6","293","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18.5 H17 N2 O -","- C18.5 H16.5 N2 O -","- C74 H66 N8 O4 -","4","1","","Choi, Eun-Young; Jazbinsek, Mojca; Lee, Seung-Heon; Günter, Peter; Yun, Hoseop; Lee, Soon W.; Kwon, O-Pil","Co-crystal structure selection of nonlinear optical analogue polyenes","CrystEngComm","2012","14","13","4306","","10.1039/c2ce06057d","","","0.71073","MoKα","","0.1835","0.0664","","","0.1326","0.1798","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208062","11.667","0.002","8.3608","0.0016","12.363","0.002","90","","93.224","0.002","90","","1204","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H10 Cu N2 O6 -","- C12 H10 Cu N2 O6 -","- C48 H40 Cu4 N8 O24 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0306","0.0286","","","0.0689","0.07","","","","","","1.042","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208475","12.617","0.0008","25.866","0.001","11.461","0.0007","90","","120.449","0.008","90","","3224.5","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H32 Co N4 O5 -","- C39 H32 Co N4 O5 -","- C156 H128 Co4 N16 O20 -","4","1","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0496","0.0377","","","0.0613","0.0663","","","","","","0.99","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208599","10.493","0.0002","14.6391","0.0004","9.0779","0.0002","90","","113.021","0.001","90","","1283.39","0.05","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-(4-methoxyphenyl)-N'-(piperidino)thiourea","N-(4-methoxyphenyl)-N'-(piperidino)thiourea","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","","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","","","0.7107","MoKα","","0.0655","0.0441","","","0.1048","0.1198","","","","","","1.121","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208700","29.1055","0.0012","5.7959","0.0002","7.697","0.0003","90","","92.448","0.002","90","","1297.24","0.09","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H10 Na2 O6 -","- C14 H10 Na2 O6 -","- C56 H40 Na8 O24 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0391","0.0321","","","0.0705","0.0748","","","","","","1.052","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208711","21.4812","0.0008","5.8879","0.0001","27.0285","0.0008","90","","98.74","0.003","90","","3378.85","0.17","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 Br Cd3 N9 S7 -","- C20 H28 Br Cd3 N9 S7 -","- C80 H112 Br4 Cd12 N36 S28 -","4","1","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0427","0.0365","","","0.0932","0.0965","","","","","","1.038","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208808","19.314","0.004","12.146","0.002","17.814","0.004","90","","106.86","0.03","90","","3999.3","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H34 Ag3 N11 O11 -","- C37 H34 Ag3 N11 O11 -","- C148 H136 Ag12 N44 O44 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0344","0.0306","","","0.0657","0.0688","","","","","","1.013","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7209076","27.8442","0.0011","9.5895","0.0003","14.243","0.0006","90","","90.527","0.002","90","","3802.9","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C50 H46 O4 -","- C50 H46 O4 -","- C200 H184 O16 -","4","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0712","0.0585","","","0.1545","0.1627","","","","","","1.077","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209119","22.707","0.003","10.2165","0.0011","15.1394","0.0016","90","","124.543","0.001","90","","2892.9","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H22 Co N4 O6 S -","- C32 H22 Co N4 O6 S -","- C128 H88 Co4 N16 O24 S4 -","4","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.0299","0.0283","","","0.0723","0.0735","","","","","","1.035","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209182","10.5156","0.0003","9.1793","0.0003","12.2202","0.0004","90","","98.381","0.001","90","","1166.97","0.06","89","2","89","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H5 F4 N3 -","- C14 H5 F4 N3 -","- C56 H20 F16 N12 -","4","1","","Lane, Joseph R.; Saunders, Graham C.; Webb, Samantha J.","Engineering of a polar crystal structure exclusively by π‒π stacking between aryl and polyfluoroaryl groups","CrystEngComm","2013","15","7","1293","","10.1039/c2ce26796a","","","0.71073","MoKα","","0.0251","0.025","","","0.0708","0.0709","","","","","","1.076","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209529","19.808","0.004","9.989","0.002","6.9059","0.0014","90","","106.03","0.03","90","","1313.3","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 Nd O10 -","- C10 H9 Nd O10 -","- C40 H36 Nd4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0215","0.0204","","","0.048","0.0484","","","","","","1.034","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209530","19.115","0.004","9.674","0.0019","6.6627","0.0013","90","","106.72","0.03","90","","1180","0.4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 O10 Pr -","- C10 H9 O10 Pr -","- C40 H36 O40 Pr4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0449","0.0447","","","0.1093","0.1097","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209553","13.7911","0.0004","30.7832","0.001","8.3658","0.0001","90","","96.292","0.0019","90","","3530.17","0.16","150","1","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H36 F8 I3 N -","- C32 H36 F8 I3 N -","- C128 H144 F32 I12 N4 -","4","1","","Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.","Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)","CrystEngComm","2013","15","16","3097","","10.1039/c2ce26751a","","","0.71073","MoKα","","0.0553","0.0433","","","0.0965","0.106","","","","","","1.069","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209764","8.503","0.013","11.983","0.017","15.39","0.02","90","","90.509","0.018","90","","1568","4","301","2","301","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C12 H48 Bi4 Cl12 N24 S12 -","4","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0643","0.0496","","","0.1012","0.109","","","","","","1.071","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209976","29.174","0.004","16.934","0.002","18.119","0.002","90","","110.166","0.002","90","","8402.6","1.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C83 H76 N15 O12 -","- C83 H76 N15 O12 -","- C332 H304 N60 O48 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1026","0.0818","","","0.2206","0.251","","","","","","1.077","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7210023","16.0558","0.0004","13.068","0.0004","11.5754","0.0004","90","","122.419","0.002","90","","2050.2","0.12","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H23 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.0642","0.0554","","","0.1694","0.1855","","","","","","0.839","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210105","9.4928","0.0019","18.587","0.004","8.9107","0.0018","90","","115.98","0.03","90","","1413.3","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Cd N10 O2 -","- C8 H12 Cd N10 O2 -","- C32 H48 Cd4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0231","0.0228","","","0.048","0.0481","","","","","","1.035","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210106","9.811","0.002","18.035","0.004","8.8072","0.0018","90","","117.44","0.03","90","","1383","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Mn N10 O2 -","- C8 H12 Mn N10 O2 -","- C32 H48 Mn4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.079","0.0747","","","0.1766","0.1809","","","","","","1.129","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210189","11.1835","0.0003","31.5719","0.0009","14.7373","0.0004","90","","91.632","0.001","90","","5201.4","0.2","78","2","78","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42.75 H32 Ag F6 N12.63 O8.37 P5 -","- C42.75 H32 Ag F6 N12.629 O8.373 P5 -","- C171 H128 Ag4 F24 N50.516 O33.492 P20 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.043","0.0378","","","0.0862","0.0904","","","","","","1.113","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210312","26.88","0.005","19.664","0.004","16.83","0.003","90","","101.88","0.03","90","","8705","3","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H42 Er2 N6 O6 -","- C48 H42 Er2 N6 O6 -","- C384 H336 Er16 N48 O48 -","8","2","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210326","23.9544","0.0006","9.6535","0.0002","17.2072","0.0004","90","","107.043","0.002","90","","3804.32","0.16","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C83 H81 N19 Ni2 O5 -","- C83 H81 N19 Ni2 O5 -","- C166 H162 N38 Ni4 O10 -","2","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0348","0.0311","","","0.0815","0.0837","","","","","","1.033","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210458","11.0723","0.0007","12.8655","0.0008","7.9596","0.0003","90","","114.444","0.004","90","","1032.22","0.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpmF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0553","0.0418","","","0.1021","0.1133","","","","","","1.038","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210459","10.9275","0.0005","12.8165","0.0004","8.2422","0.0004","90","","117.13","0.002","90","","1027.33","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0616","0.0506","","","0.1237","0.1353","","","","","","1.062","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210472","20.063","0.008","12.64","0.005","21.168","0.008","90","","90.742","0.007","90","","5368","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H59 Cu4 N12 Na O40 -","- C30 H24 Cu4 N12 Na O40 -","- C120 H96 Cu16 N48 Na4 O160 -","4","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.1173","0.1","","","0.2311","0.2497","","","","","","1.023","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210833","8.8748","0.0003","25.091","0.0006","23.252","0.0007","90","","97.411","0.002","90","","5134.4","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H48 Mn2 N24 O6 -","- C48 H48 Mn2 N24 O6 -","- C192 H192 Mn8 N96 O24 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0702","0.0479","","","0.1087","0.1203","","","","","","1.016","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210881","32.199","0.004","17.4926","0.0019","23.786","0.003","90","","115.27","0.02","90","","12115","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C130 H152 Mn3 N4 O23 -","- C126 H140 Mn3 N4 O22 -","- C504 H560 Mn12 N16 O88 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0806","0.0722","","","0.1723","0.1808","","","","","","1.001","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7211011","41.982","0.002","21.5588","0.0012","43.755","0.002","90","","92.635","0.001","90","","39560","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","MMPF-8","","","- C72 H40 In2 N4 O10 -","- C72 H40 In2 N4 O10 -","- C1152 H640 In32 N64 O160 -","16","4","","Gao, Wen-Yang; Zhang, Zhuxiu; Cash, Lindsay; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Two rare indium-based porous metal‒metalloporphyrin frameworks exhibiting interesting CO2 uptake","CrystEngComm","2013","15","45","9320","","10.1039/c3ce41090k","","","0.41328","synchrotron","","0.1043","0.0699","","","0.177","0.1891","","","","","","1.049","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211044","5.41409","0.00008","21.2829","0.0003","14.9761","0.0002","90","","92.3402","0.0013","90","","1724.22","0.04","300","0.14","300","0.14","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Cs2 N6 S6 -","- C6 H4 Cs2 N6 S6 -","- C24 H16 Cs8 N24 S24 -","4","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0478","0.046","","","0.1207","0.1236","","","","","","1.223","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211143","3.78","0.002","41.196","0.01","11.65","0.004","90","","92.69","0.03","90","","1812.1","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0453","0.0366","","","0.075","0.0784","","","","","","1.056","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211144","3.706","0.002","41.15","0.01","11.564","0.004","90","","92.44","0.03","90","","1761.9","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0389","0.0339","","","0.0716","0.0736","","","","","","1.053","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211243","8.7642","0.0006","31.696","0.002","10.7597","0.0007","90","","110.882","0.001","90","","2792.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H28 N4 Ni O7 -","- C30 H26 N4 Ni O7 -","- C120 H104 N16 Ni4 O28 -","4","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.0605","0.0505","","","0.1347","0.1442","","","","","","1.063","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211282","26.826","0.003","16.3245","0.0014","24.427","0.002","90","","93.108","0.007","90","","10681.4","1.7","175","2","175","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C141 H77 Cl2 N5 Na2 O12 -","- C141 H77 Cl2 N5 Na2 O12 -","- C564 H308 Cl8 N20 Na8 O48 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.","Physical chemistry chemical physics : PCCP","2013","15","23","9136","9144","10.1039/c3cp44359k","","","0.7107","MoKα","","0.1424","0.0707","","","0.1981","0.2401","","","","","","0.984","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211356","10.6918","0.0011","17.4451","0.0017","10.9674","0.0011","90","","96.054","0.004","90","","2034.2","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H14 F5 N3 -","- C27 H14 F5 N3 -","- C108 H56 F20 N12 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0296","0.0293","","","0.0777","0.0782","","","","","","1.061","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211357","39.181","0.002","16.518","0.0009","25.5638","0.0014","90","","129.465","0.003","90","","12772.7","1.3","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C128 H108 F20 N12 O31 Zn5 -","- C128 H86 F20 N12 O31 Zn5 -","- C512 H344 F80 N48 O124 Zn20 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0962","0.0683","","","0.1802","0.2057","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211623","20.451","0.005","12.501","0.003","19.027","0.004","90","","125.3","0.02","90","","3970","1.9","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C42 H52 O10 -","- C42 H52 O10 -","- C168 H208 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.087","0.087","","0.127","0.127","","","","0.882","0.882","0.882","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211697","12.2599","0.0013","22.356","0.002","8.8705","0.0009","90","","92.112","0.001","90","","2429.6","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 Cu2 N2 O13 -","- C18 H20 Cu2 N2 O13 -","- C72 H80 Cu8 N8 O52 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0304","0.0292","","","0.0842","0.0852","","","","","","1.083","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211738","6.039","0.003","29.302","0.015","17.045","0.008","90","","98.896","0.007","90","","2980","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H26 Co N4 O6 S -","- C34 H26 Co N4 O6 S -","- C136 H104 Co4 N16 O24 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0793","0.0511","","","0.0877","0.0983","","","","","","0.992","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211757","12.7328","0.0008","21.3708","0.0012","16.9009","0.001","90","","105.617","0.005","90","","4429.1","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H50 Cu N2 O2 P3 S2 -","- C45 H50 Cu N2 O2 P3 S2 -","- C180 H200 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0324","0.0305","","","0.0786","0.0795","","","","","","1.041","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211781","15.1881","0.0013","12.6063","0.001","12.1356","0.001","90","","103.863","0.003","90","","2255.9","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","EH-01-65-10 (ethylpropion-3-yl) methoxy nitro- spiropyran","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.0474","0.0406","","","0.1022","0.1082","","","","","","1.017","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211800","8.284","0.0007","8.67","0.0009","12.829","0.0015","90","","107.1","0.03","90","","880.7","0.2","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","dimethylformamide chloroform clathrate (1:1)","dimethylformamide chloroform clathrate (1:1)","","- C4 H8 Cl3 N O -","- C4 H8 Cl3 N O -","- C16 H32 Cl12 N4 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","","0.0537","0.0498","","","0.1326","0.1356","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211803","19.71","0.009","3.7857","0.0016","11.663","0.005","90","","103.23","0.002","90","","847.2","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Br Cu2 N5 -","- C6 H4 Br Cu2 N5 -","- C24 H16 Br4 Cu8 N20 -","4","1","","Wang, Fei; Zhang, Jian; Yu, Rongmin; Chen, Shu-Mei; Wu, Xiao-Yuan; Chen, Shan-Ci; Xie, Yi-Ming; Zhou, Wei-Wei; Lu, Can-Zhong","Topological derivation from centrosymmetry to noncentrosymmetry in a three-dimensional polar framework material","CrystEngComm","2010","12","3","671","","10.1039/b915001c","","","0.71073","MoKα","","0.0287","0.0264","","","0.0683","0.0692","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211986","11.336","0.003","19.518","0.006","27.059","0.008","90","","98.092","0.005","90","","5927","3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H50 N6 Ni3 O20 -","- C60 H48 N6 Ni3 O20 -","- C240 H192 N24 Ni12 O80 -","4","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0904","0.0768","","","0.1986","0.2094","","","","","","1.008","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212111","12.162","0.009","13.554","0.009","17.423","0.013","90","","96.672","0.019","90","","2853","4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H26 Ag N7 O4 -","- C28 H26 Ag N7 O4 -","- C112 H104 Ag4 N28 O16 -","4","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0688","0.0416","","","0.1065","0.1182","","","","","","0.978","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212152","16.482","0.002","8.7429","0.0011","20.933","0.003","90","","112.531","0.002","90","","2786.2","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H26 N2 O8 Zn2 -","- C31 H26 N2 O8.223 Zn2 -","- C124 H104 N8 O32.892 Zn8 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0331","0.0277","","","0.0693","0.0731","","","","","","1.02","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212163","10.84273","0.00013","6.16644","0.00006","12.75239","0.00014","90","","106.176","0.001","90","","818.88","0.016","","","300","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Na2 Nb4 O11 -","- Na2 Nb4 O11 -","- Na8 Nb16 O44 -","4","1","","Masó, Nahum; West, Anthony R.","A new family of ferroelectric materials: Me2Nb4O11 (Me = Na and Ag)","Journal of Materials Chemistry","2010","20","11","2082","","10.1039/b921115b","","","1.54056","CuKα1","","","0.068","","","","0.1001","","","1.72","","","","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212164","10.76422","0.00011","6.20097","0.00005","12.85819","0.00013","90","","106.183","0.0015","90","","824.259","0.015","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Ag2 Nb4 O11 -","- Ag2 Nb4 O11 -","- Ag8 Nb16 O44 -","4","1","","Masó, Nahum; West, Anthony R.","A new family of ferroelectric materials: Me2Nb4O11 (Me = Na and Ag)","Journal of Materials Chemistry","2010","20","11","2082","","10.1039/b921115b","","","","","","","0.0665","","","","0.0928","","","1.19","","","","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212167","18.395","0.003","5.3096","0.0009","11.993","0.002","90","","109.004","0.003","90","","1107.5","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan","An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand","CrystEngComm","2010","12","5","1385","","10.1039/b921264g","","","0.71073","MoKα","","0.052","0.0458","","","0.1076","0.111","","","","","","1.077","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212265","30.724","0.015","7.369","0.004","20.92","0.01","90","","131.282","0.006","90","","3559","3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H14 N4 O6 -","- C19 H14 N4 O6 -","- C152 H112 N32 O48 -","8","2","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0873","0.0606","","","0.1063","0.1171","","","","","","1.088","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212328","6.699","0.0003","6.842","0.0002","16.354","0.001","90","","96.514","0.003","90","","744.74","0.06","293","2","293","2","","","","","","","synthesized by the authors","5","C 1 c 1","C -2yc","9","guanylurea hydrogen phosphite","","","- C2 H9 N4 O4 P -","- C2 H9 N4 O4 P -","- C8 H36 N16 O16 P4 -","4","1","","Fridrichová, Michaela; Němec, Ivan; Císařová, Ivana; Němec, Petr","Guanylurea(1+) hydrogen phosphite: a novel promising phase-matchable material for second harmonic generation","CrystEngComm","2010","12","7","2054","","10.1039/b924973g","","","0.71073","MoKα","","0.0301","0.0276","","","0.066","0.0679","","","","","","1.091","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212438","17.924","0.004","9.756","0.003","8.672","0.0017","90","","92.355","0.008","90","","1515.2","0.6","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 O4 S -","- C16 H18 O4 S -","- C64 H72 O16 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","","0.0765","0.042","","","0.0724","0.08","","","","","","1.007","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212439","16.3313","0.0011","19.8342","0.0014","8.2586","0.0005","90","","109.308","0.002","90","","2524.6","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H12 F2 O2 S -","- C14 H12 F2 O2 S -","- C112 H96 F16 O16 S8 -","8","2","","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","","0.0259","0.0249","","","0.0662","0.067","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212825","16.824","0.003","13.646","0.002","15.09","0.002","90","","111.192","0.003","90","","3230.1","0.9","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H20 Cu5 N9 S4 -","- C27 H20 Cu5 N9 S4 -","- C108 H80 Cu20 N36 S16 -","4","1","","Hou, Lei; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Huang, Wen-Huan; Shi, Qi-Zhen","Two new coordination polymers with multiform helical features based on flexible dithioether ligands and CuCN: from self-penetrating to 3-fold interpenetrating structures","CrystEngComm","2010","12","12","4365","","10.1039/c0ce00167h","","","0.71073","MoKα","","0.0597","0.051","","","0.0969","0.1016","","","","","","1.061","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212914","8.777","0.002","34.912","0.007","6.28","0.001","90","","90.459","0.002","90","","1924.3","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H19 I N2 -","- C16 H19 I N2 -","- C64 H76 I4 N8 -","4","1","","Nunzi, Francesca; Fantacci, Simona; Cariati, Elena; Tordin, Elisa; Casati, Nicola; Macchi, Piero","Stabilization through p-dimethylaminobenzaldehyde of a new NLO-active phase of [E-4-(4-dimethylaminostyryl)-1-methylpyridinium] iodide: synthesis, structural characterization and theoretical investigation of its electronic properties","Journal of Materials Chemistry","2010","20","36","7652","","10.1039/c0jm00466a","","","0.71069","MoKα","","0.0696","0.0564","","","0.1766","0.1859","","","","","","1.079","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212971","25.458","0.002","7.6775","0.0006","15.1702","0.0005","90","","107.158","0.004","90","","2833.1","0.3","294","","294","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H17 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","2","","Stroh, Christophe; Romero, Francisco M.; Kyritsakas, Nathalie; Catala, Laure; Turek, Philippe; Ziessel, Raymond","Synthesis, structure and properties of benzoic acids bearing para- or meta-imino nitroxides or ortho-nitronyl nitroxide radical centres","Journal of Materials Chemistry","1999","9","4","875","","10.1039/a808018f","","","0.71073","Mo-Kα","","0.064","0.035","","0.063","","0.046","","","1.395","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213217","9.68","0.003","7.87","0.003","18.254","0.006","90","","95.27","","90","","1384.7","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C8 H20 N6 S2 -","- C8 H20 N6 S2 -","- C32 H80 N24 S8 -","4","1","","Yutronic, Nicolás; Manriquez, Victor; Jara, Paul; Witke, Oscar; Merchán, Juan; González, Guillermo","Bis(thiourea)-1,2-diazabicyclo[2.2.2]octane. A new layered thiourea inclusion compound","Journal of the Chemical Society, Perkin Transactions 2","2000","","8","1757","","10.1039/a908919e","","","0.71073","MoKα","","0.0939","0.0727","","","0.201","0.229","","","","","","1.077","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213259","20.672","0.002","10.8482","0.0009","8.7192","0.0009","90","","104.683","0.007","90","","1891.5","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H18 O4 S3 -","- C19 H18 O4 S3 -","- C76 H72 O16 S12 -","4","1","","Di Vitta, Claudio; de Arruda Campos, Ivan P.; Farah, João P. S.; Zukerman-Schpector, Júlio","New reductive addition of hard nucleophiles to 6,7-bis(methylsulfanyl)-1,4-dihydro-1,4-methanonaphthalene-5,8-dione","Journal of the Chemical Society, Perkin Transactions 1","2000","","21","3692","","10.1039/b000575o","","","0.71073","MoKα","","0.1001","0.055","","","0.1261","0.1563","","","","","","1.148","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213325","22.179","0.002","10.9087","0.0008","10.7255","0.0009","90","","103.857","0.011","90","","2519.4","0.4","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H35 N3 O6 -","- C24 H35 N3 O6 -","- C96 H140 N12 O24 -","4","1","","Maison, Wolfgang; Lützen, Arne; Kosten, Marc; Schlemminger, Imre; Westerhoff, Ole; Saak, Wolfgang; Martens, Jürgen","Multicomponent synthesis of tripeptides containing pipecolic acid derivatives: selective induction of cis- and trans-imide bonds into peptide backbones","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1867","","10.1039/b002258f","","","0.71073","MoKα","","0.0512","0.0345","","","0.0748","0.0804","","","","","","0.922","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213419","11.2827","0.001","13.2262","0.001","9.239","0.001","90","","98.352","0.01","90","","1364.1","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Ram, Vishnu J.; Nath, Mahendra; Srivastava, Pratibha; Sarkhel, Sanjay; Maulik, Prakas R.","A facile access to the synthesis of functionalised unsymmetrical biaryls from 2H-pyran-2-ones through carbanion induced C‒C bond formation †","Journal of the Chemical Society, Perkin Transactions 1","2000","","22","3719","","10.1039/b005572g","","","0.71073","MoKα","","0.0402","0.0386","","0.1119","0.1075","","","","1.105","1.083","1.083","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213441","10.291","0.002","11.607","0.003","12.988","0.003","90","","105.42","","90","","1495.5","0.6","103","2","103","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5-(8'-Methoxynaphthyl-1'-methylidene)-1,3-dioxan-4,6-dione","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","O’Leary, Jane; Bell, Paul C.; Wallis, John D.; Schweizer, W. Bernd","Attractive and repulsive effects in the interactions between electron-rich and electron-deficient groups in peri-substituted naphthalenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","2","133","","10.1039/b008226k","","","1.5418","CuKα","","0.0274","0.0263","","","0.078","0.0806","","","","","","0.819","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213635","15.346","0.003","24.558","0.005","22.739","0.005","90","","109.46","0.03","90","","8080","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H58 Ag9 N9 O22 S7 -","- C70 H58 Ag9 N9 O22 S7 -","- C280 H232 Ag36 N36 O88 S28 -","4","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.0827","0.0763","","","0.2095","0.2161","","","","","","1.081","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213793","23.871","0.0019","15.5094","0.0013","19.9409","0.0019","90","","107.492","0.005","90","","7041.2","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H40 N8 Ni4 O20 -","- C56 H40 N8 Ni4 O20 -","- C224 H160 N32 Ni16 O80 -","4","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0493","0.0391","","","0.101","0.1063","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7214028","4.4119","0.0001","21.9024","0.0005","7.519","0.0002","90","","94.531","0.002","90","","724.3","0.03","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","2-amino-1,3,4-thiadiazolium(1+) dihydrogen phosphate","","","- C2 H6 N3 O4 P S -","- C2 H6 N3 O4 P S -","- C8 H24 N12 O16 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0297","0.0296","","","0.0839","0.084","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214075","14.857","0.002","13.0971","0.0019","26.97","0.004","90","","90.959","0.004","90","","5247.2","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F3 N2 S -","- C14 H9 F3 N2 S -","- C224 H144 F48 N32 S16 -","16","4","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.1131","0.1056","","","0.3009","0.3112","","","","","","1.098","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214174","8.9469","0.0002","23.6973","0.0006","7.3859","0.0002","90","","108.4","0.002","90","","1485.88","0.07","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H8 Ag2 N6 O7 S -","- C8 H8 Ag2 N6 O7 S -","- C32 H32 Ag8 N24 O28 S4 -","4","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0325","0.028","","","0.061","0.064","","","","","","1.03","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214654","5.036","0.0001","28.8208","0.0007","6.9016","0.0002","90","","109.029","0.001","90","","946.97","0.04","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H10 Br N3 O2 -","- C8 H10 Br N3 O2 -","- C32 H40 Br4 N12 O8 -","4","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0487","0.0464","","","0.1194","0.1331","","","","","","1.115","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214699","3.7358","0.0007","38.823","0.008","16.826","0.004","90","","95.27","0.03","90","","2430","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 Cl2 Cu2 N2 -","- C12 H8 Cl2 Cu2 N2 -","- C96 H64 Cl16 Cu16 N16 -","8","2","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1266","0.0551","","","0.1113","0.1459","","","","","","1.082","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214896","7.9562","0.0008","9.6768","0.0009","12.0633","0.0017","90","","94.923","0.011","90","","925.33","0.18","225","","225","","","","","","","","","5","C 1 c 1","C -2yc","9","","molecular complex of bromoform with dimethylsulfoxide (1:1)","","- C3 H7 Br3 O S -","- C3 H7 Br3 O S -","- C12 H28 Br12 O4 S4 -","4","1","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","","0.7107","MoKα","Mo","0.1038","0.0833","","","0.2103","0.2358","","","","","","1.036","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7215013","7.7981","0.0006","16.0351","0.0014","16.4278","0.0013","90","","103.243","0.001","90","","1999.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C80 H88 N16 O16 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0459","0.0393","","","0.1001","0.1061","","","","","","1.029","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215071","14.3644","0.0017","8.318","0.001","8.8927","0.0011","90","","120.75","0.005","90","","913.1","0.2","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.1006","0.0634","","","0.1535","0.1739","","","","","","0.955","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215115","34.569","0.003","17.656","0.002","20.504","0.002","90","","108.326","0.003","90","","11880","2","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H19.2 Mn N5 O4.1 -","- C26 H19.2 Mn N5 O4.1 -","- C520 H384 Mn20 N100 O82 -","20","5","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0733","0.057","","","0.1299","0.1342","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215116","20.661","0.004","11.567","0.002","14.227","0.003","90","","116.01","0.03","90","","3055.7","1.3","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H33 N7 O6 Zn -","- C28 H33 N7 O6 Zn -","- C112 H132 N28 O24 Zn4 -","4","1","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0714","0.0587","","","0.1292","0.1331","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215117","20.96","0.004","11.53","0.002","14.211","0.003","90","","116.24","0.03","90","","3080.4","1.3","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H30 Co N6 O6 -","- C26 H30 Co N6 O6 -","- C104 H120 Co4 N24 O24 -","4","1","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0759","0.0526","","","0.1022","0.1058","","","","","","1.076","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215757","8.5829","0.0004","21.4843","0.0008","7.205","0.0004","90","","114.405","0.006","90","","1209.87","0.11","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C36 H68 N20 O8 -","4","1","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","1.54184","CuKα","","0.0473","0.0469","","","0.1312","0.1319","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215840","13.631","0.0008","16.7804","0.0008","10.9261","0.0006","90","","115.623","0.002","90","","2253.4","0.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H20 Ag F3 N4 O3 S -","- C21 H20 Ag F3 N4 O3 S -","- C84 H80 Ag4 F12 N16 O12 S4 -","4","1","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0468","0.0396","","","0.0833","0.0875","","","","","","1.023","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215932","13.3286","0.0004","10.7445","0.0003","12.3344","0.0004","90","","102.018","0.003","90","","1727.68","0.09","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.037","0.0338","","","0.0851","0.0883","","","","","","1.035","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215947","11.0728","0.0004","8.7248","0.0004","14.6199","0.0007","90","","109.072","0.002","90","","1334.87","0.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Theophylline, Resorcinol cocrystal monohydrate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C52 H64 N16 O20 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0628","0.0291","","","0.0849","0.1215","","","","","","1.252","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215979","31.788","0.002","18.353","0.002","34.619","0.004","90","","107.82","","90","","19228","3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","Compound 1a","","","- C179 H165 Cl6 N33 O22 -","- C179 H141 Cl6 N33 O22 -","- C716 H564 Cl24 N132 O88 -","4","1","","Chaudhari, Abhijeet K.; Sharma, Amitosh; Mukherjee, Soumya; Joarder, Biplab; Ghosh, Sujit K.","Capsule voided nanospace confinement in a π-stacked supramolecular organic solid","CrystEngComm","2014","16","22","4691","","10.1039/c3ce42509f","","","0.71073","MoKα","","0.2711","0.1279","","","0.3014","0.3864","","","","","","0.998","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216143","15.8154","0.0002","8.8922","0.0001","18.4302","0.0002","90","","98.393","0.001","90","","2564.15","0.05","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H18 La2 N6 O18 -","- C15 H10 La2 N6 O18 -","- C60 H40 La8 N24 O72 -","4","1","","Rodrigues, Carime V.; Luz, Leonis L.; Dutra, José Diogo L; Junior, Severino A.; Malta, Oscar L.; Gatto, Claudia C.; Streit, Huayna C.; Freire, Ricardo O.; Wickleder, Claudia; Rodrigues, Marcelo Oliveira","Unusual photoluminescence properties of the 3D mixed-lanthanide-organic frameworks induced by dimeric structures: a theoretical and experimental approach.","Physical chemistry chemical physics : PCCP","2014","16","28","14858","14866","10.1039/c4cp00405a","","","0.71073","MoKα","","0.0292","0.0271","","","0.0538","0.055","","","","","","1.029","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7216173","16.317","0.002","25.271","0.002","13.9855","0.0014","90","","124.893","0.006","90","","4730.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 K4 N4 O15 Pd2 -","- C40 H42 K4 N4 O15 Pd2 -","- C160 H168 K16 N16 O60 Pd8 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0203","0.0199","","","0.049","0.0493","","","","","","1.046","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216174","16.4305","0.001","25.181","0.0019","14.1936","0.0007","90","","124.878","0.002","90","","4817.6","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 N4 O15 Pd2 Rb4 -","- C40 H36 N4 O15 Pd2 Rb4 -","- C160 H144 N16 O60 Pd8 Rb16 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0647","0.0628","","","0.1924","0.1973","","","","","","1.063","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216176","16.4083","0.0006","22.4457","0.0012","13.474","0.0004","90","","124.48","0.001","90","","4090.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H20 N2 Na2 O7 Pd -","- C20 H18 N2 Na2 O7 Pd -","- C160 H144 N16 Na16 O56 Pd8 -","8","2","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis–trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0294","0.0286","","","0.0747","0.0812","","","","","","1.08","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7216226","14.5197","0.001","12.4744","0.0008","9.3796","0.0007","90","","109.26","0.008","90","","1603.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 Fe N6 O4 -","- C14 H9 Fe N6 O4 -","- C56 H36 Fe4 N24 O16 -","4","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0492","0.042","","","0.0862","0.0921","","","","","","1.012","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216270","14.391","0.003","20.228","0.004","9.782","0.002","90","","91.96","0.03","90","","2845.9","1","293","2","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","4,4-bis(4-hydroxyphenyl)cyclohexanone","4,4-bis(4-hydroxyphenyl)cyclohexanone","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","2","","Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram","Multiple molecules in the crystallographic asymmetric unit. Self host‒guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols","CrystEngComm","2003","5","78","447","","10.1039/b312085f","","","0.71073","MoKα","","0.0421","0.0373","","","0.076","0.0779","","","","","","1.054","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216846","13.226","0.008","19.61","0.013","23.292","0.015","90","","101.312","0.007","90","","5924","7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H49 Mn3 N5 O20 -","- C57 H45 Mn3 N5 O20 -","- C228 H180 Mn12 N20 O80 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0431","0.0399","","","0.1038","0.1067","","","","","","1.026","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216938","15.6139","0.0006","16.7784","0.0008","29.5847","0.0011","90","","91.689","0.002","90","","7747.1","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C40 H44 O10 S4 -","- C40 H44 O10 S4 -","- C320 H352 O80 S32 -","8","2","","","Experimental and theoretical study of the first thiacalixcrowns and their alkali metal ion complexes","Journal of the Chemical Society, Perkin Transactions 2","2001","","10","1920","","10.1039/b104854f","","","0.71073","MoKα","","0.0897","0.0572","","","0.1249","0.1442","","","","","","1.015","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216944","9.0947","0.0003","18.9759","0.0007","12.0451","0.0005","90","","91.296","0.001","90","","2078.21","0.13","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H29 F6 P3 -","- C18 H29 F6 P3 -","- C72 H116 F24 P12 -","4","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David","Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","288","","10.1039/b009007g","","","0.71073","MoKα","","0.0339","0.0327","","0.0865","0.0851","","","","1.054","1.05","1.05","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216953","21.959","0.002","13.723","0.001","17.149","0.001","90","","108.216","0.004","90","","4908.8","0.6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H26 O2.5 -","- C32 H24 O2.5 -","- C256 H192 O20 -","8","2","","Caira, Mino R.; Nassimbeni, Luigi R.; Toda, Fumio; Vujovic, Dejana","Inclusion by a diol host compound: structure and dynamics of volatile guest exchange","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2119","","10.1039/b105248a","","","0.7107","MoKα","","0.1567","0.1059","","","0.2804","0.3481","","","","","","1.043","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7217744","20.0036","0.0007","25.0628","0.0009","21.2234","0.0005","90","","90.32","0.002","90","","10640.1","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ni9]-(ClO4)2","","","- C74 H116 Cl2 N20 Ni9 O52 -","- C72 H76 Cl2 N20 Ni9 O52 -","- C288 H304 Cl8 N80 Ni36 O208 -","4","1","","jones, leigh Fon; McDonald, Cecelia; Brechin, Euan Kenneth; Sanz, Sergio; Rajaraman, Gopalan; Singh, Mukesh Kumar; Gaynor, Declan","High Nuclearity Ni(II) Cages from Hydroxamate Ligands","RSC Advances","2014","","","","","10.1039/C4RA06064D","","","0.7107","MoKα","","0.0989","0.0693","","","0.1594","0.1769","","","","","","1.027","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217872","44.164","0.003","3.94516","0.00019","27.676","0.003","90","","96.236","0.008","90","","4793.6","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H55 N17 O16 -","- C44 H55 N17 O16 -","- C176 H220 N68 O64 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.82103","synchrotron","","0.1003","0.0951","","","0.2474","0.2544","","","","","","1.037","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217873","19.167","0.006","4.5557","0.0015","18.226","0.006","90","","100.72","0.01","90","","1563.7","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","1","","Mani, Ganesan; Ghorai, Debasish","Unsubstituted Quinoidal Pyrrole and its Reaction with Oxygen, Charge Transfer and Palladium(II) Complexes via DDQ Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA07808J","","","0.71073","MoKα","","0.0829","0.0553","","","0.1353","0.1532","","","","","","1.007","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217902","31.102","0.01","6.1084","0.0019","21.032","0.007","90","","129.544","0.004","90","","3081.3","1.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H35 N2 O4 -","- C36 H35 N2 O4 -","- C144 H140 N8 O16 -","4","1","","Chinnaraja, Duraisamy; Rajalakshmi, Ramarajan","Atom and step economic multicomponent synthesis of highly functionalized novel N-alkyl piperidines: structural elucidation through spectral studies and single crystallographic analysis","RSC Adv.","2014","4","78","41314","","10.1039/C4RA06505K","","","0.71073","MoKα","","0.0575","0.0517","","","0.1374","0.1432","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218108","7.0097","0.0003","12.2089","0.0005","22.5507","0.0009","90","","96.798","0.004","90","","1916.34","0.14","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B10 Ba4 Ga H7 O24 -","- B10 Ba4 Ga H7 O24 -","- B40 Ba16 Ga4 H28 O96 -","4","1","","Yang, Hui; Hu, Chun-Li; Song, Junling; Mao, Jianggao","β-BaGa[B4O8(OH)](H2O) and Ba4Ga[B10O18(OH)5](H2O): New Barium Galloborates Featuring Unusual [B4O8(OH)]5- and [B10O18(OH)5]11- Clusters","RSC Adv.","2014","","","","","10.1039/C4RA06564F","","","0.71073","MoKα","","0.0221","0.0212","","","0.0414","0.0418","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218197","19.347","0.0019","11.084","0.0013","10.8074","0.001","90","","92.93","0.007","90","","2314.5","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0417","0.0349","","","0.0855","0.0893","","","","","","1.035","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218229","16.99","0.003","18.475","0.004","11.966","0.002","90","","92.92","0.03","90","","3751.1","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 Nd O6 -","- C29 H17 F18 N4 Nd O6 -","- C116 H68 F72 N16 Nd4 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0547","0.0356","","","0.0838","0.0915","","","","","","0.962","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218230","16.975","0.003","18.527","0.004","11.936","0.002","90","","93.47","0.03","90","","3746.9","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 O6 Sm -","- C29 H17 F18 N4 O6 Sm -","- C116 H68 F72 N16 O24 Sm4 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0514","0.036","","","0.0877","0.0968","","","","","","0.988","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218231","16.936","0.003","18.506","0.004","11.923","0.002","90","","93.65","0.03","90","","3729.3","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 Eu F18 N4 O6 -","- C29 H17 Eu F18 N4 O6 -","- C116 H68 Eu4 F72 N16 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","","0.0409","","","0.1118","0.1207","","","","","","1.045","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218644","26.056","0.01","11.558","0.004","19.19","0.007","90","","118.979","0.004","90","","5056","3","300","2","300","2","","","","","","","no","3","C 1 c 1","C -2yc","9","GeMolecularGyrotop","GeMolecularGyrotop","","- C48 H88 Ge2 -","- C48 H88 Ge2 -","- C192 H352 Ge8 -","4","1","","Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A crystalline molecular gyrotop with germanium junctions between a phenylene rotor and alkyl spokes","RSC Adv.","2014","","","","","10.1039/C4RA11705K","","","0.71073","MoKα","","0.1889","0.0712","","","0.1778","0.2648","","","","","","0.895","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218645","26.17","0.017","11.561","0.008","19.398","0.013","90","","118.837","0.007","90","","5141","6","340","2","340","2","","","","","","","no","3","C 1 c 1","C -2yc","9","GeMolecularGyrotop","GeMolecularGyrotop","","- C48 H88 Ge2 -","- C48.028 H88.028 Ge2 -","- C192.112 H352.112 Ge8 -","4","1","","Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A crystalline molecular gyrotop with germanium junctions between a phenylene rotor and alkyl spokes","RSC Adv.","2014","","","","","10.1039/C4RA11705K","","","0.71073","MoKα","","0.2226","0.0585","","","0.1405","0.2312","","","","","","0.859","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218647","12.7799","0.0016","12.897","0.0016","7.5173","0.0009","90","","99.827","0.01","90","","1220.8","0.3","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","4-hydroxy-3-methoxy-N-phenylbenzothioamide","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Prabhu, Kandikere Ramaiah; Varun, Begur Vasanthkumar; Sood, Ankush","A metal-free and a solvent-free synthesis of thio-amides and amides: An efficient Friedel-Crafts arylation of isothiocyanates and isocyanates","RSC Adv.","2014","","","","","10.1039/C4RA12944J","","","0.71073","MoKα","","0.038","0.0354","","","0.0844","0.0866","","","","","","1.028","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218652","13.404","0.0004","25.1954","0.0006","12.1027","0.0004","90","","101.642","0.003","90","","4003.2","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H7 F3 O4 S -","- C14 H7 F3 O4 S -","- C168 H84 F36 O48 S12 -","12","3","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.0596","0.0417","","","0.078","0.0876","","","","","","1.058","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218715","12.65632","0.00009","19.63117","0.00011","19.20284","0.00011","90","","97.3451","0.0006","90","","4731.96","0.05","120.05","0.1","120.05","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one, racemate of two symmetrically independent conformers","","- C30 H23 N5 O -","- C30 H23 N5 O -","- C240 H184 N40 O8 -","8","2","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0279","0.0277","","","0.0723","0.0725","","","","","","1.036","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218729","16.2248","0.0007","14.2682","0.0006","10.0232","0.0004","90","","105.746","0.002","90","","2233.28","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H17 N12 Nd O10 -","- C16 H17 N12 Nd O10 -","- C64 H68 N48 Nd4 O40 -","4","1","","Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen","Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand","RSC Adv.","2014","","","","","10.1039/C4RA09951F","","","0.71073","MoKα","","0.0405","0.0351","","","0.0774","0.0805","","","","","","1.039","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218730","16.3059","0.0018","14.2088","0.0016","10.024","0.0009","90","","105.473","0.006","90","","2238.3","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H17 Gd N12 O10 -","- C16 H17 Gd N12 O10 -","- C64 H68 Gd4 N48 O40 -","4","1","","Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen","Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand","RSC Adv.","2014","","","","","10.1039/C4RA09951F","","","0.71073","MoKα","","0.0292","0.0262","","","0.0619","0.0642","","","","","","1.068","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218818","9.3435","0.0011","17.014","0.002","12.8984","0.0015","90","","102.12","0.001","90","","2004.8","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H26 Mn2 N6 S4 Sn -","- C8 H26 Mn2 N6 S4 Sn -","- C32 H104 Mn8 N24 S16 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0398","0.0367","","","0.0989","0.1017","","","","","","1.024","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218835","11.394","0.013","29.49","0.04","9.154","0.01","90","","123.07","0.04","90","","2578","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H27 Cl N3 Na Ni O8 -","- C24 H24 Cl N3 Na Ni O8 -","- C96 H96 Cl4 N12 Na4 Ni4 O32 -","4","1","","Nayek, Hari Pada; Mahato, Mamata; Dey, Dhritiman; Pal, Souvik; Saha, Sudeshna; Ghosh, Abhrajyoti; Harms, Klaus","Syntheses, Structures, Optical Properties and Biological activities of Bimetallic Complexes","RSC Adv.","2014","","","","","10.1039/C4RA11991F","","","0.71073","MoKα","","0.0458","0.0377","","","0.0886","0.0926","","","","","","1.034","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218956","17.724","0.003","10.6818","0.0015","7.0003","0.001","90","","111.839","0.001","90","","1230.2","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H7 La N2 O7 -","- C12 H7 La N2 O7 -","- C48 H28 La4 N8 O28 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0149","0.0143","","","0.0386","0.0392","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218957","17.604","0.016","10.624","0.009","6.996","0.006","90","","111.663","0.008","90","","1216","1.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H7 Ce N2 O7 -","- C12 H7 Ce N2 O7 -","- C48 H28 Ce4 N8 O28 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.016","0.0149","","","0.0397","0.0402","","","","","","1.08","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218958","17.57","0.003","10.6061","0.0015","6.9846","0.001","90","","111.598","0.001","90","","1210.2","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H7 N2 O7 Pr -","- C12 H7 N2 O7 Pr -","- C48 H28 N8 O28 Pr4 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0153","0.0148","","","0.0379","0.0382","","","","","","1.086","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218959","17.909","0.003","10.2645","0.0015","7.4561","0.0011","90","","96.957","0.001","90","","1360.5","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H9 Eu N2 O8 -","- C12 H9 Eu N2 O8 -","- C48 H36 Eu4 N8 O32 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.018","0.0171","","","0.0419","0.0425","","","","","","1.024","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218960","17.858","0.003","10.2355","0.0015","7.4678","0.0011","90","","96.909","0.002","90","","1355.1","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H9 Gd N2 O8 -","- C12 H9 Gd N2 O8 -","- C48 H36 Gd4 N8 O32 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0188","0.0185","","","0.052","0.0533","","","","","","0.488","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218975","4.8198","0.0001","21.7824","0.0003","9.3616","0.0002","90","","104.264","0.002","90","","952.54","0.03","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","2-amino-5-nitropyridine:chloroacetic acid","2-amino-5-nitropyridine:chloroacetic acid","","- C7 H8 Cl N3 O4 -","- C7 H8 Cl N3 O4 -","- C28 H32 Cl4 N12 O16 -","4","1","","Sarkar, Sounak; Pavan, Mysore S.; Guru Row, T. N.","Experimental validation of 'pnicogen bonding' in nitrogen by charge density analysis.","Physical chemistry chemical physics : PCCP","2015","17","4","2330","2334","10.1039/c4cp04690k","","","0.71073","MoKα","","0.035","0.025","","","","0.045","","","","","","0.928","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219072","7.1396","0.0002","15.8266","0.0003","8.6026","0.0002","90","","100.464","0.001","90","","955.89","0.04","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0223","0.021","","","0.0428","0.0433","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219148","11.7672","0.0009","19.2956","0.0009","19.0562","0.0011","90","","90.292","0.001","90","","4326.8","0.5","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H44 Hg2 I4 N4 O3 S -","- C38 H44 Hg2 I4 N4 O3 S -","- C152 H176 Hg8 I16 N16 O12 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.039","0.0384","","","0.0917","0.092","","","","","","1.057","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219262","9.765","","17.154","","14.568","","90","","103.06","","90","","2377.15","","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20 N2 Ni O7 -","- C25 H20 N2 Ni O7 -","- C100 H80 N8 Ni4 O28 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0497","0.0476","","","0.1676","0.1758","","","","","","1.044","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219264","9.883","0.007","18.292","0.013","13.048","0.009","90","","102.748","0.008","90","","2301","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H16 N2 Ni O5 -","- C25 H16 N2 Ni O5 -","- C100 H64 N8 Ni4 O20 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0766","0.0657","","","0.1676","0.1768","","","","","","1.007","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219468","14.6958","0.0004","11.6451","0.0004","20.5912","0.0006","90","","93.811","0.002","90","","3516.06","0.19","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H27 Be5 N4 O28 P7 -","- C20 H27 Be5 N4 O28 P7 -","- C80 H108 Be20 N16 O112 P28 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","0.71073","MoKα","","0.0472","0.0415","","","0.0926","0.0955","","","","","","1.069","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219604","14.974","0.003","14.968","0.003","11.822","0.002","90","","99.26","0.003","90","","2615.1","0.9","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H2 N8 O11 -","- C6 H2 N8 O11 -","- C48 H16 N64 O88 -","8","2","","Li, Hui; Zhao, Feng-Qi; Wang, Bozhou; Zhai, Lian-jie; Lai, Wei-Peng; Liu, Ning","A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties","RSC Adv.","2015","","","","","10.1039/C5RA00175G","","","0.71073","MoKα","","0.0549","0.0479","","","0.13","0.137","","","","","","1.031","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7219786","18.938","0.008","16.008","0.007","15.549","0.011","90","","123.948","0.006","90","","3910","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H32 Cd Cl2 N8 O11 -","- C28 H26 Cd Cl2 N8 O11 -","- C112 H104 Cd4 Cl8 N32 O44 -","4","1","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71073","MoKα","","0.0833","0.0771","","","0.2159","0.231","","","","","","0.933","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219812","7.004","0.003","30.75","0.013","10.041","0.004","90","","99","0.005","90","","2135.9","1.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- 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","","0.0397","0.0318","","","0.0671","0.0704","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219825","36.788","0.007","8.669","0.0017","33.481","0.007","90","","102.29","0.03","90","","10433","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H142 Cl4 N12 O27 Zn4 -","- C96 H140 Cl4 N12 O27 Zn4 -","- C384 H560 Cl16 N48 O108 Zn16 -","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","","","0.7108","Synchrotron","","0.0465","0.0452","","","0.1155","0.1164","","","","","","1.04","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219836","17.697","0.005","24.072","0.005","8.217","0.005","90","0.005","92.118","0.005","90","0.005","3498","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33.25 H33.25 N9.75 O6.25 Zn -","- C28 H20 N8 O4 Zn -","- C112 H80 N32 O16 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0613","0.0431","","","0.0964","0.1025","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219854","16.991","0.008","15.726","0.007","9.212","0.009","90","","120.505","0.007","90","","2121","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C72 H80 Cd4 N16 O24 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.074","0.0473","","","0.1041","0.1167","","","","","","1.067","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7220109","27.419","0.008","6.081","0.0016","13.987","0.004","90","","107.285","0.003","90","","2226.8","1.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H24 Fe Se2 -","- C28 H24 Fe Se2 -","- C112 H96 Fe4 Se8 -","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","","0.0384","0.0339","","","0.0769","0.0788","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220134","34.3062","0.0008","6.9284","0.0002","17.0628","0.0004","90","","104.265","0.001","90","","3930.56","0.17","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H30 Cu2 N14 O14 -","- C38 H30 Cu2 N14 O14 -","- C152 H120 Cu8 N56 O56 -","4","1","","Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.","Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies","RSC Adv.","2015","","","","","10.1039/C5RA06197K","","","1.54178","CuKα","","0.0358","0.0356","","","0.0953","0.0956","","","","","","1.042","","","","has coordinates,has disorder","135730","2020-10-21","18:00:00",""
"7220255","14.944","0.003","16.94","0.003","10.384","0.002","90","","123.74","0.03","90","","2186","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{[Co(tdzdc)(bpp)(H2O)]?3H2O}n","","- C17 H20 Co N4 O8 S -","- C17 H14 Co N4 O8 S -","- C68 H56 Co4 N16 O32 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0392","0.0348","","","0.0785","0.0807","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220269","20.0099","0.0012","24.6219","0.0009","18.3201","0.0011","90","","116.274","0.008","90","","8093.5","0.9","93","2","93","2","","","","","","","","3","C 1 c 1","C -2yc","9","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C448 H256 O128 -","32","8","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0672","0.0441","","","0.1086","0.1253","","","","","","1.034","","","","has coordinates","138540","2020-10-21","18:00:00",""
"7220319","25.938","0.003","18.158","0.002","16.7929","0.0019","90","","116.945","0.002","90","","7050.6","1.4","123","2","123.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C77 H63 Co3 N7 O16 -","- C77 H63 Co3 N7 O16 -","- C308 H252 Co12 N28 O64 -","4","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.059","0.048","","","0.1302","0.1757","","","","","","1.078","","","","has coordinates","143414","2020-10-21","18:00:00",""
"7220521","14.934","0.003","24.781","0.004","16.383","0.003","90","","109.435","0.004","90","","5717.5","1.8","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66.25 H47.75 N2.25 O11.25 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1129","0.1051","","","0.2715","0.2791","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220577","14.7508","0.0011","9.8446","0.0008","13.9881","0.0008","90","","91.028","0.003","90","","2031","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H20 N4 O8 -","- C23 H24 N4 O2 -","- C92 H96 N16 O8 -","4","1","","Chattopadhyay, Pabitra; Sen, Buddhadeb; Mukherjee, Manjira; Pal, Siddhartha; Sen, Supriti","A water soluble copper(II) complex as a HSO4- ion selective turn-on fluorescent sensor applicable in living cell imaging","RSC Adv.","2015","","","","","10.1039/C5RA09121G","","","0.71073","MoKα","","0.0529","0.045","","","0.1196","0.1264","","","","","","1.014","","","","has coordinates","137489","2020-10-21","18:00:00",""
"7221379","15.73","","9.829","","12.832","","90","","92.61","","90","","1981.9","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- K2 Pt S15 -","- K2 Pt S15 -","- K8 Pt4 S60 -","4","1","","Spangenberg, M.; Bronger, W.","K2 Pt S15, Synthese und Kristallstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","482","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221600","16.786","0.002","16.7779","0.0019","35.405","0.004","90","","92.779","0.002","90","","9960","2","223.15","","223.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H27 Br N2 O5 -","- C27 H27 Br N2 O5 -","- C432 H432 Br16 N32 O80 -","16","4","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0732","0.0598","","","0.1148","0.1238","","","","","","1.095","","","","has coordinates","152332","2020-10-21","18:00:00",""
"7221714","18.012","0.002","6.5373","0.0008","14.3077","0.0019","90","","98.302","0.004","90","","1667.1","0.4","273","2","273","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Rao, Maddali L. N.; Dasgupta, Priyabrata","A concise route to functionalized benzofurans directly from gem-dibromoalkenes and phenols","RSC Adv.","2015","5","80","65462","","10.1039/C5RA13213D","","","0.71073","MoKα","","0.1541","0.0978","","","0.2589","0.3025","","","","","","1.065","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7221854","24.1824","0.001","12.1343","0.0005","22.6611","0.0008","90","","109.241","0.004","90","","6278.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H58 Cl4 Cu N8 O10 -","- C63 H58 Cl4 Cu N8 O10 -","- C252 H232 Cl16 Cu4 N32 O40 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0535","0.0502","","","0.1321","0.1361","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222068","20.478","0.004","7.1225","0.0013","12.93","0.003","90","","94.578","0.009","90","","1879.9","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0734","0.0652","","","0.1793","0.1948","","","","","","1.061","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222539","9.3418","","17.4368","","8.1515","","90","","92.616","","90","","1326.42","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Mn6 (P O4)4 (H2 O)","","- H2 Mn6 O17 P4 -","- H2 Mn6 O17 P4 -","- H8 Mn24 O68 P16 -","4","1","","Stock, N.","Synthesis and characterization of Mn6 (P O4)4 * H2 O, a new metal(II) phosphate hydrate","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","187","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","162384","2020-10-21","18:00:00",""
"7222938","9.482","","12.355","","12.468","","90","","94.98","","90","","1455.11","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(Ag (N H3)2) Ag2 (Fe (C N)6)","","- C6 H6 Ag3 Fe N8 -","- C6 H6 Ag3 Fe N8 -","- C24 H24 Ag12 Fe4 N32 -","4","1","","Ziegler, B.; Seitz, K.; Babel, D.","Silberdiammin-disilber-hexacyanometallate(III): Kantenverknuepfte Doppeltetraeder-Einheiten Ag2 N6 in den unterschiedlichen Strukturen von Eisen- und Cobaltkomplex.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1988","43","","1589","1597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223377","11.5823","0.0017","13.2072","0.0017","8.6438","0.0012","90","","110.838","0.004","90","","1235.8","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N,N'-bis(2-pyridyl)guanidinium nitrate","","- C11 H12 N6 O3 -","- C11 H12 N6 O3 -","- C44 H48 N24 O12 -","4","1","","Seipp, Charles Aaron; Williams, Neil J.; Bryantsev, Vyacheslav; Custelcean, Radu; Moyer, Bruce A.","A Conformationally Persistent Pseudo-bicyclic Guanidinium for Anion Coordination As Stabilized by Dual Intramolecular Hydrogen Bonds","RSC Adv.","2015","","","","","10.1039/C5RA21864K","","","0.71073","MoKα","","0.0389","0.0369","","","0.0936","0.0954","","","","","","1.039","","","","has coordinates","170627","2020-10-21","18:00:00",""
"7223589","22.7969","0.0011","17.2741","0.0008","19.4952","0.0009","90","","103.786","0.0009","90","","7456","0.6","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C68 H94 Ag B F4 N8 O7 S4 -","- C68 H88 Ag B F4 N8 O7 S4 -","- C272 H352 Ag4 B4 F16 N32 O28 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1232","0.0829","","","0.2117","0.2471","","","","","","1.022","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223596","10.5124","0.0003","10.558","0.0003","20.3568","0.0007","90","","97.39","0.003","90","","2240.63","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,2,2-triiodovinyl)benzene","","- C8 H5 I3 -","- C8 H5 I3 -","- C64 H40 I24 -","8","2","","Berger, G.; Robeyns, K.; Soubhye, J.; Wintjens, R.; Meyer, F.","Halogen bonding in a multi-connected 1,2,2-triiodo-alkene involving geminal and/or vicinal iodines: a crystallographic and DFT study","CrystEngComm","2016","18","5","683","","10.1039/C5CE02230D","","","0.71073","MoKα","","0.0777","0.0726","","","0.2182","0.2233","","","","","","1.056","","","","has coordinates,has disorder","175968","2020-10-21","18:00:00",""
"7223871","19.4379","0.0004","35.2593","0.0009","30.9195","0.0006","90","","91.67","0.006","90","","21182.2","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C165 H164.5 Co9 N69.5 O24 W6 -","- C165 H118.5 Co9 N69.5 O24 W6 -","- C660 H474 Co36 N278 O96 W24 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.1307","0.107","","","0.2028","0.2123","","","","","","1.187","","","","has coordinates,has disorder","177767","2020-10-21","18:00:00",""
"7223937","19.897","0.004","12.667","0.003","8.4207","0.0017","90","","108.18","0.03","90","","2016.4","0.8","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20 N2 O2 S -","- C25 H20 N2 O2 S -","- C100 H80 N8 O8 S4 -","4","1","","Wu, Lulu; Zheng, Yin; Wang, Youming; ZHOU, Zhenghong","Organocatalyzed enantioselective [3+3] annulation for the direct synthesis of conformationally constrained cyclic tryptophan derivatives","RSC Adv.","2016","","","","","10.1039/C5RA24288F","","","0.71073","MoKα","","0.0405","0.0317","","","0.0692","0.0722","","","","","","0.971","","","","has coordinates","174573","2020-10-21","18:00:00",""
"7224085","11.7148","0.0014","7.1633","0.0006","7.4109","0.0008","90","","125.435","0.01","90","","506.71","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B2 O6 Rb Sb -","- B2 O6 Rb Sb -","- B8 O24 Rb4 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0403","0.035","","","0.0812","0.0851","","","","","","1.041","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224269","22.5512","0.0015","10.857","0.0007","17.8588","0.0012","90","","122.115","0.001","90","","3703.4","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H44 Cl2 N2 Pd -","- C40 H44 Cl2 N2 Pd -","- C160 H176 Cl8 N8 Pd4 -","4","1","","tian, jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Palladium(II) and copper(II) chloride complexes bearing bulky α-diimine ligands as catalysts for norbornene vinyl-addition (co)polymerization","RSC Adv.","2016","","","","","10.1039/C5RA23970B","","","0.71073","MoKα","","0.0283","0.0243","","","0.0589","0.0616","","","","","","1.011","","","","has coordinates","176500","2020-10-21","18:00:00",""
"7224411","34.8","0.008","7.4221","0.0014","5.6535","0.0013","90","","95.925","0.002","90","","1452.4","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,4-Bis(4-chlorophenyl)-2-hydroxybutane-1,4-dione","","- C16 H12 Cl2 O3 -","- C16 H12 Cl2 O3 -","- C64 H48 Cl8 O12 -","4","1","","Liu, Yongjun; Zhao, Hengmin; Tian, Guang; Du, Feng; Qi, Yan; Wen, Yonghong","A novel coupling reaction of α-halo ketones promoted by SmI3/CuI","RSC Adv.","2016","","","","","10.1039/C5RA26604A","","","0.71073","MoKα","","0.0714","0.0568","","","0.1524","0.1629","","","","","","1.054","","","","has coordinates","177039","2020-10-21","18:00:00",""
"7224762","20.646","0.002","18.537","0.002","15.4375","0.0018","90","","117.913","0.002","90","","5220.8","1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H24 N3.2 O2.8 Zn0.8 -","- C22 H24 N3.2 O2.8 Zn0.8 -","- C220 H240 N32 O28 Zn8 -","10","2.5","","Liao, Zhuang; Wang, Dan; Zheng, Jianquan; Tan, Hongwei; Zheng, Xiangjun; Jin, Lin-Pei","A Single Chemosensor for Bimetal Cu(II) and Zn(II) in Aqueous Medium","RSC Adv.","2016","","","","","10.1039/C6RA01030J","","","0.71073","MoKα","","0.1019","0.0475","","","0.0942","0.1153","","","","","","1.022","","","","has coordinates","180649","2020-10-21","18:00:00",""
"7224979","11.6197","0.0003","9.4493","0.0004","30.4715","0.001","90","","92.932","0.002","90","","3341.3","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","pyrrole-2,5-diacetic acid phenyl bisamide","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C160 H152 N24 O16 -","8","2","","Jurczak, Janusz; Dydio, Pawel; Stepniak, Pawel; Zielinski, Tomasz","A Hybrid Macrocyclic Anion Receptor Exploiting the Pyrrole-2,5-diacetamide Unit","RSC Adv.","2016","","","","","10.1039/C6RA05804C","","","0.71073","MoKα","","0.0576","0.0549","","","0.1479","0.1512","","","","","","1.123","","","","has coordinates","182238","2020-10-21","18:00:00",""
"7225390","7.2967","0.0005","18.015","0.0013","15.0313","0.0011","90","","97.477","0.002","90","","1959.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Kuila, Bilash; Kumar, Yogesh; mahajan, Dinesh; Kumar, Kapil; Singh, Prabhpreet; Bhargava, Gaurav","A Facile and Chemoselective Synthesis of 1,4-Benzodiazepin-2-ones and Dienyl Thiazolidin-4-ones","RSC Adv.","2016","","","","","10.1039/C6RA10021J","","","0.71073","MoKα","","0.0295","0.0277","","","0.0694","0.0704","","","","","","1.053","","","","has coordinates","183209","2020-10-21","18:00:00",""
"7225765","10.4314","0.0008","11.0104","0.0008","18.8608","0.0013","90","","103.777","0.002","90","","2103.9","0.3","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H25 Br2 N5 Ni O4 -","- C15 H25 Br2 N5 Ni O4 -","- C60 H100 Br8 N20 Ni4 O16 -","4","1","","Magubane, Makhosozane N.; Nyamato, George Simba; Ojwach, Stephen O.; Munro, Orde Q.","Structural, Kinetic, and DFT Studies of the Transfer Hydro-genation of Ketones Mediated by (Pyrazole)pyridine Iron(II) and Nickel(II) Complexes","RSC Adv.","2016","","","","","10.1039/C6RA12788F","","x-ray","0.71073","MoKα","","0.0153","0.015","","","0.0368","0.0369","","","","","","1.042","","","","has coordinates","184072","2020-10-21","18:00:00",""
"7225777","21.091","0.005","11.959","0.002","9.622","0.0019","90","","100.456","0.004","90","","2386.6","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H18 Er N3 O15 -","- C21 H18 Er N3 O15 -","- C84 H72 Er4 N12 O60 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Wen, Pei-Xian; Lu, Yan-Na; Hu, Lei; Zhang, Da-Liang; Cai, Yue-Peng","From 1D to 3D Lanthanide Coordination Polymers Constructed with Pyridine-3, 5-dicarboxylic Acid: Synthesis, Crystal Structures, and Catalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA13242A","","","0.71073","MoKα","","0.0308","0.0302","","","0.079","0.0796","","","","","","1.076","","","","has coordinates","184075","2020-10-21","18:00:00",""
"7225778","20.994","0.014","11.889","0.008","9.577","0.006","90","","100.552","0.007","90","","2350","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H18 Lu N3 O15 -","- C21 H18 Lu N3 O15 -","- C84 H72 Lu4 N12 O60 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Wen, Pei-Xian; Lu, Yan-Na; Hu, Lei; Zhang, Da-Liang; Cai, Yue-Peng","From 1D to 3D Lanthanide Coordination Polymers Constructed with Pyridine-3, 5-dicarboxylic Acid: Synthesis, Crystal Structures, and Catalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA13242A","","","0.71073","MoKα","","0.0452","0.0412","","","0.0907","0.0939","","","","","","1.033","","","","has coordinates","184075","2020-10-21","18:00:00",""
"7225826","6.363","0.0013","15.97","0.006","8.043","0.002","90","","92.151","0.016","90","","816.7","0.4","290","2","290","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0495","","","0.1261","0.1374","","","","","","1.055","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225858","8.163","0.002","18.627","0.005","5.9869","0.0017","90","","110.214","0.004","90","","854.3","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","piperazinium carbaxamide trihydrate","","","- C5 H16 N2 O5 -","- C5 H16 N2 O5 -","- C20 H64 N8 O20 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0277","0.0259","","","0.0624","0.0636","","","","","","1.019","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225877","30.559","0.002","15.545","0.0008","22.014","0.0016","90","","132.937","0.002","90","","7656","0.9","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B Ce4 K N4 O74 W12 -","- C28 H48 B Ce4 K N4 O74 W12 -","- C112 H192 B4 Ce16 K4 N16 O296 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","","0.0516","0.0478","","","0.1006","0.1023","","","","","","1.055","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225878","30.27","0.003","15.5104","0.0013","21.842","0.003","90","","132.839","0.001","90","","7519.5","1.4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 O74 Sm4 W12 -","- C28 H48 B K N4 O74 Sm4 W12 -","- C112 H192 B4 K4 N16 O296 Sm16 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","","0.0703","0.0647","","","0.1336","0.1375","","","","","","1.089","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225879","30.4412","0.0013","15.5369","0.0007","21.9253","0.001","90","","132.93","0.001","90","","7592.6","0.6","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 Nd4 O74 W12 -","- C28 H48 B K N4 Nd4 O74 W12 -","- C112 H192 B4 K4 N16 Nd16 O296 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","","0.0858","0.0672","","","0.127","0.1405","","","","","","1.041","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225926","28.491","0.019","13.162","0.009","21.213","0.014","90","","102.974","0.011","90","","7752","9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C82 H60 Cd4 N4 O20 -","- C82 H60 Cd4 N4 O20 -","- C328 H240 Cd16 N16 O80 -","4","1","","Qu, Xiang-Long; Zheng, Xiaoli; Li, Xia","A Series of transition metal‒organic frameworks: Crystal structures, luminescence properties, and sensitizing for luminescent Ln(III) ions in aqueous solution","RSC Adv.","2016","","","","","10.1039/C6RA08419B","","","0.71073","MoKα","","0.1242","0.0605","","","0.1221","0.1484","","","","","","1.024","","","","has coordinates","184452","2020-10-21","18:00:00",""
"7225979","13.4767","0.0015","7.5845","0.0009","12.9148","0.0014","90","","99.542","0.002","90","","1301.8","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H15 Cd N9 O3 -","- C6 H15 Cd N9 O3 -","- C24 H60 Cd4 N36 O12 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0182","0.0181","","","0.0479","0.048","","","","","","1.184","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7226068","14.148","0.0005","15.3628","0.0005","17.1155","0.0006","90","","111.275","0.001","90","","3466.6","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","[Ni2(NO3)3)(L-t-butyl)]","","","- C28 H37 N7 Ni2 O10 -","- C28 H37 N7 Ni2 O10 -","- C112 H148 N28 Ni8 O40 -","4","1","","Das, Debasis; Sanyal, Ria; Zhang, Xuepeng; Chakraborty, Prateeti; Mautner, Franz Andreas; Zhao, Cunyuan","Role of para-substitution in controlling phosphatase activity of dinuclear NiII complexes of Mannich-base ligands: experimental and DFT studies†","RSC Adv.","2016","","","","","10.1039/C6RA08705A","","","0.71073","MoKα","","0.0481","0.0398","","","0.1068","0.1117","","","","","","1.046","","","","has coordinates","184705","2020-10-21","18:00:00",""
"7226164","9.483","0.0019","13.725","0.003","14.272","0.003","90","","105.18","0.03","90","","1792.7","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Complex 3","","- C12 H16 N O15 Tb -","- C12 H16 N O15 Tb -","- C48 H64 N4 O60 Tb4 -","4","1","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.039","0.0387","","","0.1057","0.106","","","","","","1.116","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226378","33.96","0.007","10.34","0.002","18.59","0.004","90","","98.22","0.03","90","","6461","2","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H36 Fe I2 N2 O3 -","- C30 H36 Fe I2 N2 O3 -","- C240 H288 Fe8 I16 N16 O24 -","8","2","","Jiang, Shuang; Zhang, Tianyong; Zhang, Xia; Zhang, Guanghui; Hai, Li; Li, Bin","Synthesis, Structural Characterization, and Chemical Properties of Pentacoordinate Model Complexes for the Active Site of [Fe]-Hydrogenase","RSC Adv.","2016","","","","","10.1039/C6RA18628A","","","0.71073","MoKα","","0.0763","0.0537","","","0.1011","0.1088","","","","","","1.054","","","","has coordinates","186060","2020-10-21","18:00:00",""
"7226495","23.3217","0.0011","4.4264","0.0002","14.6193","0.0007","90","","91.381","0.003","90","","1508.73","0.12","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Br N O2 S -","- C16 H12 Br N O2 S -","- C64 H48 Br4 N4 O8 S4 -","4","1","","Salunke-Gawali, Sunita; Agarwal, Gunjan; Lande, Deepali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Patil, Amit Shrinivas; Gosavi, Prajkta","Bromine substituted aminonaphthoquinones: Synthesis, Characterization, DFT and metal ion binding studies†","RSC Adv.","2016","","","","","10.1039/C6RA20970J","","","1.54178","CuKα","","0.0889","0.0665","","","0.2109","0.2459","","","","","","0.94","","","","has coordinates","186279","2020-10-21","18:00:00",""
"7226524","20.3555","0.0004","16.0201","0.0003","15.054","0.0003","90","","131.898","0.002","90","","3653.99","0.17","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","compound 1","","- C26 H22 Ag4 I6 N4 -","- C26 H22 Ag4 I6 N4 -","- C104 H88 Ag16 I24 N16 -","4","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Dai, Dongting; fu, yunlong","Spontaneous Chiral Resolution and Hierarchical Directing Effects of Two-winged Propeller-like SDAs on the Construction of Noncentrosymmetric Iodoargentates/Iodocuprates","RSC Adv.","2016","","","","","10.1039/C6RA15159K","","","1.54178","CuKα","","0.093","0.0892","","","0.219","0.2271","","","","","","1.032","","","","has coordinates","186508","2020-10-21","18:00:00",""
"7226612","23.6442","0.0012","4.2788","0.0002","14.2732","0.0007","90","","90.614","0.004","90","","1443.92","0.12","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","1","","Parthiban, C.; Ciattini, Samuele; Chelazzi, Laura; Elango, Kuppanagounder P.","Selective colorimetric sensing of fluoride in an aqueous solution by amino-naphthoquinone and its Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes ‒ effect of complex formation on sensing behaviour","RSC Adv.","2016","6","94","91265","","10.1039/C6RA19309A","","x-ray","0.71073","MoKα","","0.0586","0.0453","","","","0.1254","","","","","","1.042","","","","has coordinates","186764","2020-10-21","18:00:00",""
"7226829","10.7683","0.0004","13.4401","0.0005","8.4892","0.0003","90","","93.755","0.002","90","","1225.98","0.08","155","2","155","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Banerjee, Saikat; Brandao, Paula; Saha, Amrita","A Robust Fluorescent Chemosensor for Aluminium Ion Detection Based on Schiff base Ligand with Azo Arm and Application in Molecular Logic Gate","RSC Adv.","2016","","","","","10.1039/C6RA21217D","","","0.71073","MoKα","","0.0378","0.0331","","","0.0812","0.0842","","","","","","1.029","","","","has coordinates","187423","2020-10-21","18:00:00",""
"7226854","24.964","0.004","10.0221","0.0018","17.071","0.003","90","","131.848","0.003","90","","3181.6","1","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H48 Al N5 -","- C32 H48 Al N5 -","- C128 H192 Al4 N20 -","4","1","","Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong","Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities","RSC Adv.","2016","","","","","10.1039/C6RA18367K","","","0.71073","MoKα","","0.0921","0.054","","","0.1307","0.1512","","","","","","0.988","","","","has coordinates","187451","2020-10-21","18:00:00",""
"7227296","17.112","0.0015","16.287","0.0013","9.1823","0.0008","90","","107.089","0.009","90","","2446.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0451","0.0344","","","0.0809","0.0863","","","","","","1.028","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227297","17.1144","0.0014","16.2849","0.0012","9.1786","0.0007","90","","107.107","0.008","90","","2445","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0491","0.0369","","","0.086","0.0935","","","","","","1.019","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227422","10.4377","0.0009","17.2053","0.0014","8.6699","0.0007","90","","94.227","0.003","90","","1552.7","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H15 Cl4 N Ti -","- C11 H15 Cl4 N Ti -","- C44 H60 Cl16 N4 Ti4 -","4","1","","Tripathi, Kamini; Rai, Abhishek; Yadav, Amarish Kumar; Srikrishna, Saripella; Kumari, Niraj; Mishra, Lallan","Fluorescein hydrazone-based supramolecular architectures, molecular recognition, sequential logic operation and cell imaging","RSC Adv.","2017","7","4","2264","","10.1039/C6RA26255D","","","0.71073","MoKα","","0.0398","0.0297","","","0.0541","0.0576","","","","","","1.013","","","","has coordinates","190460","2020-10-21","18:00:00",""
"7227743","47.845","0.009","10.2532","0.0012","19.755","0.004","90","","102.025","0.011","90","","9478","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H70 N4 O7 S -","- C46 H70 N4 O7 S -","- C368 H560 N32 O56 S8 -","8","2","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1799","0.0795","","","0.1958","0.2472","","","","","","0.961","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227918","4.0145","0.0003","26.7097","0.0018","11.7285","0.001","90","","94.126","0.007","90","","1254.34","0.17","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","0.71073","MoKα","","0.0573","0.0396","","","0.0754","0.0842","","","","","","1.014","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227924","22.3946","0.0004","4.8894","0.0001","16.9441","0.0003","90","","122.616","0.001","90","","1562.73","0.05","297","2","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H14 Cu N2 O7 P2 -","- C13 H14 Cu N2 O7 P2 -","- C52 H56 Cu4 N8 O28 P8 -","4","1","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0251","0.022","","","0.05","0.0512","","","","","","1.043","","","","has coordinates","194471","2020-10-21","18:00:00",""
"7228241","46.922","0.005","6.086","0.004","7.467","0.008","90","","92.72","0.06","90","","2130","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.1222","0.0758","","","0.2012","0.2424","","","","","","0.973","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7228313","6.77","0.0014","20.084","0.004","16.848","0.003","90","","101.5","0.03","90","","2244.8","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 N8 O8 S -","- C18 H22 N8 O8 S -","- C72 H88 N32 O32 S4 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1002","0.0548","","","0.1059","0.1243","","","","","","1.002","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228417","8.6905","0.0003","21.925","0.0007","8.2652","0.0003","90","","108.326","0.001","90","","1494.97","0.09","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0291","0.0277","","","0.0732","0.0743","","","","","","1.052","","","","has coordinates","197599","2020-10-21","18:00:00",""
"7228645","8.205","0.0003","26.4106","0.0009","15.137","0.0006","90","","98.241","0.004","90","","3246.3","0.2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H28 Cl F9 N3 Rh -","- C32 H28 Cl F9 N3 Rh -","- C128 H112 Cl4 F36 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0383","0.0352","","","0.0934","0.0957","","","","","","1.028","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228650","8.4625","0.0005","23.7259","0.0013","15.4211","0.001","90","","105.977","0.006","90","","2976.7","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H28 Cl4 N3 Rh -","- C29 H28 Cl4 N3 Rh -","- C116 H112 Cl16 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0353","0.0327","","","0.0833","0.0855","","","","","","1.056","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228735","33.4954","0.0018","19.3412","0.0011","35.425","0.002","90","","115.147","0.0016","90","","20775","2","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C77 H190.2 Cu5 Ge0 In30 N11 O7.1 S53 -","- Cu4.9996 In30.0004 S53 -","- Cu19.9984 In120.002 S212 -","4","1","","Wang, Hongxiang; Yang, Huajun; Wang, Wei; Xue, Chaozhuang; Zhang, Yingying; Luo, Min; Hu, Dandan; Lin, Jian; Li, Dong-Sheng; Wu, Tao","Assembly of Supertetrahedral Cluster into Cu-In-S Superlattice via Unprecedented Vertex-Edge Connection Mode","CrystEngComm","2017","","","","","10.1039/C7CE00849J","","","0.71073","MoKα","","0.1288","0.0618","","","0.1183","0.129","","","","","","1.038","","","","has coordinates,has disorder","199013","2020-10-21","18:00:00",""
"7228865","28.7372","0.0016","5.4797","0.0003","7.8381","0.0005","90","","104.767","0.003","90","","1193.51","0.12","89","2","89","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-phenyl-2-naphthamide","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0529","0.0445","","","0.1103","0.1152","","","","","","1.042","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228883","24.8728","0.0013","14.1665","0.0008","22.8202","0.0012","90","","97.374","0.002","90","","7974.4","0.7","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H30 N12 O16 Pr2 -","- C48 H30 N12 O16 Pr2 -","- C192 H120 N48 O64 Pr8 -","4","1","","He, Hongming; Chen, Si-Hang; Zhang, De-Yu; Yang, En-Cui; Zhao, Xiao-Jun","A luminescent metal‒organic framework as an ideal chemosensor for nitroaromatic compounds","RSC Adv.","2017","7","62","38871","","10.1039/C7RA06320B","","","0.71073","MoKα","","0.0693","0.0507","","","0.1073","0.1181","","","","","","0.98","","","","has coordinates","199664","2020-10-21","18:00:00",""
"7228946","11.706","0.003","24.308","0.007","31.08","0.009","90","","95.568","0.005","90","","8802","4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H46 As2 Cu3 N6 O70 W17 -","- C9 H45 As2 Cu3 N6 O70 W17 -","- C36 H180 As8 Cu12 N24 O280 W68 -","4","1","","Liu, Lu; Wang, Bo; Lv, Jinghua; Yu, Kai; Wang, Lu; Zhang, He; Wang, Shuo; Zhou, Baibin","One-step synthesis two Wells‒Dawson arsenotungstate hybrids via M-O-M bridges for efficient adsorption and selective separation of organic pollutants","CrystEngComm","2017","","","","","10.1039/C7CE01307H","","","0.71073","MoKα","","0.0814","0.0725","","","0.1162","0.1253","","","","","","1.02","","","","has coordinates","199867","2020-10-21","18:00:00",""
"7229017","29.7214","0.0018","22.1597","0.0018","10.344","0.0006","90","","109.183","0.004","90","","6434.5","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C70 H94 N2 O4 Zn -","- C70 H94 N2 O4 Zn -","- C280 H376 N8 O16 Zn4 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0662","0.0472","","","0.1219","0.1307","","","","","","1.018","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229033","22.185","0.004","18.725","0.004","23.73","0.005","90","","102.68","0.03","90","","9617","4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H42 Cu2 N14 O15 -","- C48 H42 Cu2 N14 O15 -","- C384 H336 Cu16 N112 O120 -","8","2","","Ribeiro, Eloisa O.; de Campos, Nathália R.; Doriguetto, Antônio C.; Barros, Wdeson P.; Ribeiro, Marcos A.; De Paula, Elgte E. B.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria V.","Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)","CrystEngComm","2017","","","","","10.1039/C7CE01230F","","","0.71073","MoKα","","0.0665","0.0438","","","0.0834","0.0915","","","","","","1.037","","","","has coordinates","200106","2020-10-21","18:00:00",""
"7229049","18.9823","0.0004","31.2644","0.0005","19.2712","0.0004","90","","120.764","0.0013","90","","9827.5","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H62 Co5 N16 O12 -","- C30 H62 Co5 N16 O12 -","- C240 H496 Co40 N128 O96 -","8","2","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0777","0.0462","","","0.0887","0.101","","","","","","0.985","","","","has coordinates,has disorder","200157","2020-10-21","18:00:00",""
"7229054","8.011","0.003","16.63","0.007","11.63","0.005","90","","90.202","0.005","90","","1549.4","1.1","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- 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","","0.039","0.0388","","","0.12","0.1214","","","","","","1.174","","","","has coordinates,has disorder","200158","2020-10-21","18:00:00",""
"7229169","36.88","0.03","11.065","0.008","19.195","0.013","90","","121.141","0.008","90","","6704","9","320","2","320","2","","","","","","","no","3","C 1 c 1","C -2yc","9","C18BiPhcage","C18BiPhcage","","- C66 H116 Si2 -","- C66 H114 Si2 -","- C264 H456 Si8 -","4","1","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.3692","0.1291","","","0.3138","0.4925","","","","","","0.954","","","","has coordinates","200912","2020-10-21","18:00:00",""
"7229171","36.52","0.03","10.968","0.009","19.057","0.016","90","","120.161","0.012","90","","6600","9","280","2","280","2","","","","","","","no","3","C 1 c 1","C -2yc","9","C18BiPhcage","C18BiPhcage","","- C66 H116 Si2 -","- C66 H116 Si2 -","- C264 H464 Si8 -","4","1","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.3565","0.1208","","","0.3104","0.471","","","","","","0.955","","","","has coordinates","200912","2020-10-21","18:00:00",""
"7229296","15.416","0.002","20.078","0.002","12.162","0.002","90","","118.63","0.02","90","","3304.1","1","293","2","293","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C42 H42 -","- C42 H42 -","- C168 H168 -","4","1","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.0766","0.0478","","","0.0957","0.1092","","","","","","1.085","","","","has coordinates","201850","2020-10-21","18:00:00",""
"7229461","11.536","0.0002","26.8989","0.0006","15.0809","0.0003","90","","109.961","0.002","90","","4398.56","0.16","120.01","0.1","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","5,10,15-tris(pentafluorophenyl)-20-(3,4-dimethoxyphenyl)porphyrin","","- C47 H22 F15 N4 O3 -","- C47 H22 F15 N4 O3 -","- C188 H88 F60 N16 O12 -","4","1","","Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.","Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins","RSC Adv.","2017","7","80","50610","","10.1039/C7RA08734A","","x-ray","1.54184","CuKα","","0.1079","0.1043","","","0.2897","0.3001","","","","","","1.392","","","","has coordinates,has disorder","202474","2020-10-21","18:00:00",""
"7229606","12.3117","0.0007","20.284","0.0007","18.3956","0.0008","90","","109.325","0.0018","90","","4335.1","0.3","180","","180","","","","101","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H58 O4 S3 -","- C44 H58 O4 S3 -","- C176 H232 O16 S12 -","4","1","","Mikšátko, J.; Eigner, V.; Lhoták, P.","Unexpected cleavage of thiacalix[4]arene sulfoxides","RSC Advances","2017","7","84","53407","","10.1039/C7RA11218A","","","1.54178","CuKα","","0.0261","0.0259","","0.0697","0.0692","0.0697","","","","","","0.9702","","","","has coordinates,has disorder","203441","2020-10-21","18:00:00",""
"7229724","22.92","0.0006","11.7027","0.0003","21.2051","0.0006","90","","95.783","0.003","90","","5658.8","0.3","109.95","0.1","109.95","0.1","","","","","","","no","6","C 1 c 1","C -2yc","9","no","salt of vanadyl phthalocyanine with tetrahexylammonium cation, o-dichlobenzene solvate","","- C62 H72 Cl2 N9 O V -","- C62 H72 Cl2 N9 O V -","- C248 H288 Cl8 N36 O4 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0521","0.0406","","","0.0835","0.0898","","","","","","1.026","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229828","14.8009","0.0003","24.9586","0.0004","15.8871","0.0003","90","","109.897","0.0019","90","","5518.5","0.19","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C225 H197 N27 O51 S4 Zn8 -","4","1","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0391","0.0366","","","0.1023","0.1043","","","","","","1.06","","","","has coordinates","228960","2020-10-21","18:00:00",""
"7229834","20.3749","0.0019","7.5106","0.0006","16.0252","0.0015","90","","124.774","0.014","90","","2014.3","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H17 Mn N5 O8 -","- C20 H17 Mn N5 O8 -","- C80 H68 Mn4 N20 O32 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0609","0.0463","","","0.082","0.0915","","","","","","1.004","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229972","12.9059","0.0007","18.9389","0.0013","7.6909","0.0004","90","","115.017","0.004","90","","1703.48","0.18","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","[CuL30fCl]","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C72 H68 Cl4 Cu4 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.026","0.024","","","0.0544","0.0552","","","","","","1.034","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7230173","20.9449","0.0009","13.2515","0.0006","19.8004","0.0009","90","","112.976","0.002","90","","5059.7","0.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H54 Cl2 Co Cu2 N4 O15 -","- C46 H54 Cl2 Co Cu2 N4 O15 -","- C184 H216 Cl8 Co4 Cu8 N16 O60 -","4","1","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.044","0.0395","","","0.1053","0.1091","","","","","","1.04","","","","has coordinates,has disorder","206444","2020-10-21","18:00:00",""
"7230288","6.7615","0.0003","18.9173","0.0007","7.8044","0.0003","90","","105.934","0.0019","90","","959.9","0.07","100","2","99.98","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Methoxybenzylammonium Formate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","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","","0.0281","0.0272","","","0.0738","0.0747","","","","","","1.052","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230309","18.786","0.003","20.184","0.003","11.6566","0.0017","90","","101.624","0.009","90","","4329.3","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1697","0.0736","","","0.1309","0.1626","","","","","","0.94","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230310","18.9397","0.0012","20.1917","0.0012","11.7038","0.0007","90","","101.45","0.003","90","","4386.7","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.0705","0.0485","","","0.1192","0.1336","","","","","","1.06","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230312","19.044","0.003","20.209","0.002","11.7215","0.0014","90","","101.207","0.008","90","","4425.1","1","190","2","190","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1165","0.0802","","","0.2145","0.2591","","","","","","1.11","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230581","29.72","0.04","5.675","0.007","7.425","0.009","90","","95.29","0.02","90","","1247","3","293.15","","293.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H0 Br N O -","- C15 H12 Br N O -","- C60 H48 Br4 N4 O4 -","4","1","","Chen, Chun-Hua; Wu, Qing-Yan; Wei, Cui; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang","Iron(iii)-catalyzed selective N‒O bond cleavage to prepare tetrasubstituted pyridines and 3,5-disubstituted isoxazolines from N-vinyl-α,β-unsaturated ketonitrones","Green Chemistry","2018","20","12","2722","","10.1039/C8GC00630J","","","0.71073","MoKα","","0.0988","0.0727","","","0.1964","0.2171","","","","","","1.055","","","","has coordinates","230125","2020-10-21","18:00:00",""
"7230663","5.7993","0.0005","25.037","0.003","10.15","0.0011","90","","100.329","0.011","90","","1449.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane","","- C15 H20 F N O4 -","- C15 H20 F N O4 -","- C60 H80 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0471","0.0375","","","0.0971","0.1053","","","","","","1.019","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7231098","10.7702","0.0004","13.9788","0.0004","15.802","0.0006","90","","109.391","0.004","90","","2244.11","0.15","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5-(1-(9H-fluoren-9-yl)pyrrolidin-2-yl)-1-(2,6-dimethylphenyl)-1H-tetrazole","","- C26 H25 N5 -","- C26 H25 N5 -","- C104 H100 N20 -","4","1","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.0788","0.0536","","","0.1447","0.1626","","","","","","1.002","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231121","12.0843","0.0006","19.092","0.0009","20.1439","0.001","90","","91.114","0.002","90","","4646.6","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H36 Co2 N8 O13 -","- C47 H36 Co2 N8 O13 -","- C188 H144 Co8 N32 O52 -","4","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.1127","0.0656","","","0.1122","0.1294","","","","","","1.09","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231149","22.37","0.004","12.624","0.003","15.05","0.003","90","","125.507","0.002","90","","3459.8","1.2","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H28 Co N4 O4 S -","- C41 H28 Co N4 O4 S -","- C164 H112 Co4 N16 O16 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.0557","0.0511","","","0.1424","0.1461","","","","","","1.09","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231389","15.459","","9.19","","23.79","","90","","95.25","","90","","3365.62","","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Choline trichlorostanate","","- C15 H45 Cl9 N3 O4.5 Sn3 -","- C15 H42 Cl9 N3 O4.5 Sn3 -","- C60 H168 Cl36 N12 O18 Sn12 -","4","1","","Bayu, Asep; Yoshida, Akihiro; Karnjanakom, Surachai; Kusakabe, Katsuki; Hao, Xiaogang; Prakoso, Tirto; Abudula, Abuliti; Guan, Guoqing","Catalytic conversion of biomass derivatives to lactic acid with increased selectivity in an aqueous tin(ii) chloride/choline chloride system","Green Chemistry","2018","20","17","4112","","10.1039/C8GC01022F","","","0.71075","MoKα","","0.1029","0.0904","","","0.2148","0.2223","","","","","","1.022","","","","has coordinates","230097","2020-10-21","18:00:00",""
"7231690","11.438","0.002","11.94","0.002","9.874","0.0019","90","","107.37","0.002","90","","1287","0.4","220","2","220.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","1","","Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel","Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand","RSC Advances","2018","8","63","36223","","10.1039/C8RA05697H","","","0.71073","MoKα","","0.0208","0.0203","","","0.0505","0.0509","","","","","","1.052","","","","has coordinates","211659","2020-10-21","18:00:00",""
"7231803","3.709","0.001","26.801","0.004","13.706","0.008","90","","97.678","0.006","90","","1350.2","0.9","198","","198","","","","","","","","","5","C 1 c 1","C -2yc","9","Dibromo-bis(3-cyanopyridine)nickelat","alpha-Catena-dibromo-di(3-cyanopyridine)nickelat","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C48 H32 Br8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00446","1.825","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231885","14.8162","0.0009","14.5193","0.0009","16.0799","0.001","90","","109.266","0.001","90","","3265.4","0.3","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C6 H35 Ca0 Cu Mo5 N6 O28.5 P2 -","- C6 H24 Cu Mo5 N6 O28.5 P2 -","- C24 H96 Cu4 Mo20 N24 O114 P8 -","4","1","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0178","0.0176","","","0.0456","0.0457","","","","","","0.983","","","","has coordinates","223739","2020-10-21","18:00:00",""
"7232142","10.3765","0.0001","13.1188","0.0002","11.2806","0.0002","90","","114.605","0.0006","90","","1396.17","0.04","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H23 N3 O2 -","- C13 H23 N3 O2 -","- C52 H92 N12 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","","0.0426","0.042","","","0.1128","0.1135","","","","","","1.06","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232483","3.8737","0.0003","21.9191","0.0016","10.6759","0.0008","90","","95.751","0.002","90","","901.91","0.12","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H18 N6 O2 -","- C22 H18 N6 O2 -","- C44 H36 N12 O4 -","2","0.5","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0408","0.0346","","","0.0789","0.0817","","","","","","1.054","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232494","15.827","0.005","13.169","0.005","10.544","0.004","90","","106.918","0.006","90","","2102.5","1.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Wang, Hai-Yan; Kong, Lin; Zhu, Shu-Juan; Zhou, Hong-Ping; Yang, Jia-Xiang","Understanding the molecular orientation growth on a nanometer scale and adjustable electron transition performance of a terpyridyl derivative under different external environments","CrystEngComm","2019","21","17","2736","","10.1039/C8CE01940A","","","0.71073","MoKα","","0.0668","0.0446","","","0.1002","0.113","","","","","","1.038","","","","has coordinates","223585","2020-10-21","18:00:00",""
"7232783","22.1033","0.0004","22.4179","0.0003","17.5597","0.0003","90","","125.335","0.002","90","","7098.1","0.3","150.01","0.1","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H51 N6 O23 Zn4 -","- C60 H37 N6 O16 Zn4 -","- C240 H148 N24 O64 Zn16 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","1.54178","CuKα","","0.0522","0.0477","","","0.1272","0.1312","","","","","","1.034","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232847","26.1331","0.0019","3.7572","0.0003","11.9066","0.0007","90","","115.765","0.008","90","","1052.85","0.15","294","2","294","1","","","","","","","","5","C 1 c 1","C -2yc","9","CmmF","3-Fluorophenyl-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0664","0.0529","","","0.1163","0.1255","","","","","","1.071","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232863","13.039","0.005","18.606","0.007","10.943","0.006","90","","121.201","0.006","90","","2270.8","1.7","170.15","","170.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H16 N6 Ni O5 S -","- C24 H16 N6 Ni O5 S -","- C96 H64 N24 Ni4 O20 S4 -","4","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","","0.71073","MoKα","","0.0393","0.0353","","","0.0963","0.0999","","","","","","1.059","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232865","19.829","0.003","5.8486","0.001","20.75","0.003","90","","109.388","0.004","90","","2270","0.6","173.15","","173.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H16 Mn N6 O5 S -","- C24 H16 Mn N6 O5 S -","- C96 H64 Mn4 N24 O20 S4 -","4","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","","0.71073","MoKα","","0.035","0.032","","","0.0757","0.0775","","","","","","1.049","","","","has coordinates,has disorder","215708","2020-10-21","18:00:00",""
"7232981","3.61682","0.00017","27.5043","0.0016","13.2081","0.0012","90","","97.492","0.015","90","","1302.7","0.16","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","","- C12 H8 Cl2 Co N4 -","- C12 H8 Cl2 Co N4 -","- C48 H32 Cl8 Co4 N16 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.2752","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232985","3.5837","0.000033","27.28886","0.00029","13.18148","0.00026","90","","97.7149","0.0035","90","","1277.42","0.03","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C48 H32 Cl8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.9061","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7233027","25.864","0.005","17.137","0.003","15.838","0.003","90","","118.8","0.03","90","","6152","3","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H42 Cd2 N6 O10 -","- C60 H42 Cd2 N6 O10 -","- C240 H168 Cd8 N24 O40 -","4","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0539","0.0483","","","0.1174","0.1209","","","","","","1.032","","","","has coordinates,has disorder","223515","2020-10-21","18:00:00",""
"7233059","21.9384","0.0011","9.7692","0.0004","21.2029","0.001","90","","97.634","0.005","90","","4503.9","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H56 Cl4 N2 O7 Zn2 -","- C44 H56 Cl4 N2 O7 Zn2 -","- C176 H224 Cl16 N8 O28 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0448","0.0389","","","0.0934","0.0972","","","","","","1.042","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233323","17.734","0.0007","11.1559","0.0007","14.5549","0.0008","90","","104.509","0.002","90","","2787.7","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H25 N5 Ni O10 -","- C28 H25 N5 Ni O10 -","- C112 H100 N20 Ni4 O40 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0461","0.0376","","","0.0838","0.0884","","","","","","1.031","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233394","8.3364","0.0001","24.4555","0.0003","11.4028","0.0001","90","","90.717","0.001","90","","2324.52","0.04","173.01","0.1","173.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H28 I N O3 -","- C25 H28 I N O3 -","- C100 H112 I4 N4 O12 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0256","0.0253","","","0.0613","0.0618","","","","","","1.056","","","","has coordinates","223500","2020-10-21","18:00:00",""
"7233395","8.77916","0.00011","19.3848","0.0002","11.98474","0.00015","90","","89.748","0.0011","90","","2039.57","0.04","172.97","0.1","172.97","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 I N O2 -","- C24 H24 I N O2 -","- C96 H96 I4 N4 O8 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0307","0.0306","","","0.0784","0.0787","","","","","","1.06","","","","has coordinates","223500","2020-10-21","18:00:00",""
"7233410","34.3656","0.0014","7.0662","0.0003","9.9016","0.0004","90","","98.266","0.004","90","","2379.47","0.17","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O -","- C18 H12 O -","- C144 H96 O8 -","8","2","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.05","0.0482","","","0.1392","0.1413","","","","","","1.096","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233505","21.092","0.013","6.521","0.003","12.149","0.007","90","","119.587","0.008","90","","1453.1","1.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Di Jiang; Zheng Xue; Yongjun Li; Huibiao Liu; Wensheng Yang","Synthesis of donor-acceptor molecules based on isoxazolones for investigation of their nonlinear optical properties","Journal of Materials Chemistry C","2013","1","","5694","5700","10.1039/C3TC31228C","","","0.71073","MoKα","","0.0556","0.0539","","","0.1341","0.1356","","","","","","1.109","","","","has coordinates","217775","2020-10-21","18:00:00",""
"7233674","9.64469","0.00028","5.57677","0.00017","5.63227","0.00016","90","","124.975","0.0015","90","","248.229","0.013","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi0.94 Dy0.06 Fe O3 -","- Bi0.94 Dy0.06 Fe O3 -","- Bi3.76 Dy0.24 Fe4 O12 -","4","1","","Robert C. Lennox; Mark C. Price; William Jamieson; Marek Jura; Aziz Daoud-Aladine; Claire A. Murray; Chiu Tang; Donna C. Arnold","Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics","Journal of Materials Chemistry C","2014","2","","3345","3360","10.1039/C3TC32345E","powder diffraction","neutron","","","","","","","","","","0.04131","","2.53","","","","","","","has coordinates","218011","2020-10-21","18:00:00",""
"7233743","16.198","0.009","18.41","0.01","10.788","0.006","90","","101.611","0.008","90","","3151","3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","[(ppy)2Ir(Me2NpropylN)(EtN)CPh]","","","- C36 H38 Ir N5 -","- C36 H38 Ir N5 -","- C144 H152 Ir4 N20 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Substituent effect on the electroluminescence efficiency of amidinate-ligated bis(pyridylphenyl) iridium(III) complexes","Journal of Materials Chemistry C","2014","2","","5317","5326","10.1039/C3TC32553A","","","0.71073","MoKα","","0.0573","0.0425","","","0.058","0.0603","","","","","","0.814","","","","has coordinates","218131","2020-10-21","18:00:00",""
"7233817","18.1253","0.0007","19.3124","0.001","10.47","0.0004","90","","112.624","0.001","90","","3382.9","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H34 Ag2 N4 O8 -","- C36 H34 Ag2 N4 O8 -","- C144 H136 Ag8 N16 O32 -","4","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0478","0.0386","","","0.0848","0.0907","","","","","","1.041","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233866","9.6007","0.0002","15.873","0.0003","7.97687","0.00018","90","","105.107","0.002","90","","1173.6","0.04","290","2","290","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H14 Cl N3 O2 -","- C10 H14 Cl N3 O2 -","- C40 H56 Cl4 N12 O8 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.04","0.0348","","","0.0976","0.1024","","","","","","1.117","","","","has coordinates","218312","2020-10-21","18:00:00",""
"7233867","9.5861","0.0002","16.1448","0.0003","8.18095","0.00016","90","","107.024","0.002","90","","1210.65","0.04","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H14 Br N3 O2 -","- C10 H14 Br N3 O2 -","- C40 H56 Br4 N12 O8 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0424","0.0384","","","0.0936","0.0974","","","","","","1.109","","","","has coordinates","218313","2020-10-21","18:00:00",""
"7233915","37.821","0.009","5.6762","0.0013","18.699","0.005","90","","104.084","0.005","90","","3893.6","1.7","133","2","133.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H18 Cl2 N2 O2 S -","- C20 H18 Cl2 N2 O2 S -","- C160 H144 Cl16 N16 O16 S8 -","8","2","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0299","0.0273","","","0.0674","0.0687","","","","","","1.03","","","","has coordinates,has disorder","218405","2020-10-21","18:00:00",""
"7234135","11.0759","0.0007","29.6119","0.0013","7.7409","0.0004","90","","122.9","0.005","90","","2131.7","0.2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H21 N O -","- C28 H21 N O -","- C112 H84 N4 O4 -","4","1","","Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang","Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3049","3054","10.1039/C4TC02826K","","","0.71073","MoKα","","0.0578","0.0379","","","0.0703","0.0771","","","","","","1.024","","","","has coordinates","218819","2020-10-21","18:00:00",""
"7234218","25.095","0.002","11.2129","0.0011","9.1348","0.0008","90","","95.251","0.002","90","","2559.6","0.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(4-Cyanopyridine)-(h6-p-cymene)-dichloro-ruthenium(ii) 1,4-diiodo-tetrafluorobenzene","","- C22 H18 Cl2 F4 I2 N2 Ru -","- C22 H18 Cl2 F4 I2 N2 Ru -","- C88 H72 Cl8 F16 I8 N8 Ru4 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.031","0.0254","","","0.0451","0.0469","","","","","","0.957","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234241","16.215","0.007","25.856","0.011","7.236","0.003","90","","96.34","0.009","90","","3015","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H26 Br Cl N4 O7 -","- C27 H20 Br Cl N4 O7 -","- C108 H80 Br4 Cl4 N16 O28 -","4","1","","Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang","Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials","Journal of Materials Chemistry C","2015","3","","4563","4569","10.1039/C4TC02771J","","","0.71073","MoKα","","0.1115","0.0864","","","0.2357","0.2637","","","","","","0.94","","","","has coordinates","218929","2020-10-21","18:00:00",""
"7234260","4.888","0.001","23.378","0.005","15.437","0.003","90","","94.07","0.03","90","","1759.6","0.6","296","2","296","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Xiaotao Zhang; Guangyao Zhao; Yonggang Zhen; Zeyi Tu; Ping He; Yuanping Yi; Huanli Dong; Wenping Hu","The position effect of an ethynyl spacer on the carrier mobility of anthracene derivatives","Journal of Materials Chemistry C","2015","3","","5368","5371","10.1039/C5TC00606F","","","0.71073","MoKα","","0.0748","0.0667","","","0.1555","0.1599","","","","","","1.276","","","","has coordinates","218957","2020-10-21","18:00:00",""
"7234261","38.26","0.03","5.862","0.004","7.489","0.006","90","","92.456","0.009","90","","1678","2","173.15","","173.15","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Xiaotao Zhang; Guangyao Zhao; Yonggang Zhen; Zeyi Tu; Ping He; Yuanping Yi; Huanli Dong; Wenping Hu","The position effect of an ethynyl spacer on the carrier mobility of anthracene derivatives","Journal of Materials Chemistry C","2015","3","","5368","5371","10.1039/C5TC00606F","","","0.71073","MoKα","","0.0648","0.0592","","","0.1608","0.1757","","","","","","1.12","","","","has coordinates","218957","2020-10-21","18:00:00",""
"7234661","8.5477","0.0002","15.282","0.0003","13.6085","0.0003","90","","90.06","0.002","90","","1777.62","0.07","90","0.4","90","0.4","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H20 Mn2 N2 O12 -","- C40 H80 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.0539","0.0554","","","","","","1.032","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234662","8.5542","0.0002","15.299","0.0003","13.6149","0.0003","90","","90.1","0.002","90","","1781.79","0.07","159.99","0.17","159.99","0.17","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H20 Mn2 N2 O12 -","- C40 H80 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0295","0.0256","","","0.0571","0.0603","","","","","","1.038","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234663","8.5685","0.0002","15.3292","0.0004","13.6602","0.0003","90","","90.226","0.002","90","","1794.23","0.07","345","2","345","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H18.804 Mn2 N2 O12 -","- C40 H75.216 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0426","0.0307","","","0.0624","0.0669","","","","","","0.977","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234665","8.5608","0.0002","15.3339","0.0003","13.6433","0.0003","90","","90.19","0.002","90","","1790.95","0.07","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H20 Mn2 N2 O12 -","- C40 H80 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0347","0.0327","","","0.0823","0.0836","","","","","","1.1","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234733","23.0873","0.001","9.6374","0.0003","7.245","0.0003","90","","106.961","0.004","90","","1541.91","0.11","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H13 I N2 O5 -","- C14 H13 I N2 O5 -","- C56 H52 I4 N8 O20 -","4","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.028","0.0257","","","0.0452","0.046","","","","","","1.023","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234820","10.1268","0.0007","32.36","0.003","8.71","0.0006","90","","108.832","0.004","90","","2701.5","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,3-bis(Dicyanomethylene)-2-(4-(dimethylamino)benzylidene) -2,3-dihydro-1H-indene-5-carboxylic acetic anhydride benzene solvate","","- C33 H23 N5 O3 -","- C33 H23 N5 O3 -","- C132 H92 N20 O12 -","4","1","","Kaspars Traskovskis; Valdis Kokars; Andrejs Tokmakovs; Igors Mihailovs; Edgars Nitiss; Marina Petrova; Sergey Belyakov; Martins Rutkis","Stereoselective synthesis and properties of 1,3-bis(dicyanomethylidene)indane-5-carboxylic acid acceptor fragment containing nonlinear optical chromophores","Journal of Materials Chemistry C","2016","4","","5019","5030","10.1039/C6TC00203J","","","0.71073","MoKα","","0.1657","0.0864","","","0.1782","0.2108","","","","","","1.069","","","","has coordinates","220356","2020-10-21","18:00:00",""
"7234872","37.895","0.011","11.54","0.003","16.393","0.005","90","","102.316","0.009","90","","7004","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H36 B N O2 S2 -","- C41 H36 B N O2 S2 -","- C328 H288 B8 N8 O16 S16 -","8","2","","G. Turkoglu; M. E. Cinar; A. Buyruk; E. Tekin; S. P. Mucur; K. Kaya; T. Ozturk","Novel organoboron compounds derived from thieno[3,2-b]thiophene and triphenylamine units for OLED devices","Journal of Materials Chemistry C","2016","4","","6045","6053","10.1039/C6TC01285J","","","0.71073","MoKα","","0.041","0.0354","","","0.0792","0.0817","","","","","","0.999","","","","has coordinates","220541","2020-10-21","18:00:00",""
"7235012","45.0139","0.0016","5.615","0.0002","19.2525","0.0007","90","","112.628","0.002","90","","4491.5","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H42 Cl2 N2 O -","- C57 H42 Cl2 N2 O -","- C228 H168 Cl8 N8 O4 -","4","1","","Ruizhi Tang; Xinyang Wang; Wanzheng Zhang; Xiaodong Zhuang; Shuai Bi; Wenbei Zhang; Fan Zhang","Aromatic azaheterocycle-cored luminogens with tunable physical properties via nitrogen atoms for sensing strong acids","Journal of Materials Chemistry C","2016","4","","7640","7648","10.1039/C6TC02591A","","","1.54178","CuKα","","0.117","0.108","","","0.2904","0.3189","","","","","","1.452","","","","has coordinates,has disorder","227651","2020-10-21","18:00:00",""
"7235121","20.1357","0.0005","15.0949","0.0004","12.2443","0.0003","90","","98.836","0.002","90","","3677.44","0.16","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H64 N4 O4 Zr -","- C32 H64 N4 O4 Zr -","- C128 H256 N16 O16 Zr4 -","4","1","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","x-ray","0.71073","MoKα","","0.0649","0.0517","","","0.146","0.1553","","","","","","1.024","","","","has coordinates","227873","2020-10-21","18:00:00",""
"7235181","22.298","0.0009","12.8948","0.0005","16.2166","0.0006","90","","131.727","0.0013","90","","3479.9","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H31 B F N3 -","- C47 H31 B F N3 -","- C188 H124 B4 F4 N12 -","4","1","","Yi-Jiun Shiu; Yi-Ting Chen; Wei-Kai Lee; Chung-Chih Wu; Tzu-Chieh Lin; Shih-Hung Liu; Pi-Tai Chou; Chin-Wei Lu; I-Chen Cheng; Yi-Jyun Lien; Yun Chi","Efficient thermally activated delayed fluorescence of functional phenylpyridinato boron complexes and high performance organic light-emitting diodes","Journal of Materials Chemistry C","2017","5","","1452","1462","10.1039/C6TC04994J","","","1.54178","CuKα","","0.0507","0.0481","","","0.135","0.1381","","","","","","1.048","","","","has coordinates","231034","2020-10-21","18:00:00",""
"7235222","10.2344","0.0008","33.477","0.002","11.5077","0.001","90","","93.536","0.007","90","","3935.2","0.5","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 N4 O11 -","- C42 H42 N4 O11 -","- C168 H168 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.2056","0.1064","","","0.2472","0.2994","","","","","","0.995","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235241","13.2358","0.0003","15.2794","0.0002","7.8074","0.0002","90","","106.18","0.002","90","","1516.39","0.06","132","2","132","2","","","","","","","","4","C 1 c 1","C -2yc","9","","theobromine-2,3-dihydroxybenzoic acid monohydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0261","0.026","","","0.0728","0.073","","","","","","1.064","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235406","19.3218","0.0016","14.7252","0.0012","32.896","0.003","90","","104.855","0.002","90","","9046.7","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3DFMJ12","","","- C87 H122 N4 O36 S -","- C87 H108 N4 O36 S -","- C348 H432 N16 O144 S4 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.0962","0.0766","","","0.2043","0.2276","","","","","","1.022","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235521","19.9851","0.0013","13.9008","0.0008","8.3536","0.0005","90","","113.968","0.003","90","","2120.6","0.2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H24 N2 O6 S -","- C20 H24 N2 O6 S -","- C80 H96 N8 O24 S4 -","4","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.0355","0.0292","","","0.0657","0.0693","","","","","","1.03","","","","has coordinates","233102","2020-10-21","18:00:00",""
"7235596","6.53","0.003","31.767","0.016","14.249","0.007","90","","94.555","0.012","90","","2946","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 N5 O S -","- C15 H15 N5 O S -","- C120 H120 N40 O8 S8 -","8","2","","García-Rubiño, M. E.; Núñez-Carretero, M. C.; Choquesillo-Lazarte, D.; García-Ruiz, J. M.; Madrid, Yolanda; Campos, J. M.","Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions","RSC Adv.","2014","4","43","22425","","10.1039/C4RA01968G","","","1.54178","CuKα","","0.077","0.055","","","0.1371","0.1637","","","","","","1.088","","","","has coordinates","233157","2020-10-21","18:00:00",""
"7235598","32.762","0.007","10.724","0.002","13.937","0.003","90","","114.43","0.03","90","","4458.2","1.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H36 Cl0 Co2 N10 O8 -","- C50 H36 Co2 N10 O8 -","- C200 H144 Co8 N40 O32 -","4","1","","Hou, Ya Nan; Wang, Zhi Nan; Bai, Feng Ying; Guan, Qing Lin; Wang, Xuan; Zhang, Rui; Xing, Yong Heng","Three novel d7/d10 metal complexes with N-heterocyclic ligand of 2,6-bis(3-pyrazolyl)pyridine: synthesis, structure, surface photovoltage spectroscopy and photocatalytic activity","RSC Adv.","2014","4","41","21180","","10.1039/C4RA02015D","","","0.71073","MoKα","","0.1854","0.0698","","","0.1181","0.1529","","","","","","0.978","","","","has coordinates","233163","2020-10-21","18:00:00",""
"7235704","20.729","0.003","18.1887","0.0013","17","0.002","90","","105.629","0.014","90","","6172.6","1.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H51 Cu4 N8 O4 S4 -","- C68 H51 Cu4 N8 O4 S4 -","- C272 H204 Cu16 N32 O16 S16 -","4","1","","Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato","Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes","RSC Adv.","2014","4","75","39790","","10.1039/C4RA05290K","","","0.71073","MoKα","","0.2189","0.096","","","0.2125","0.2469","","","","","","0.803","","","","has coordinates","233239","2020-10-21","18:00:00",""
"7235831","17.7703","0.0009","12.3805","0.0008","8.0711","0.0006","90","","116.773","0.007","90","","1585.3","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C7 H16 I3 N O2 Pb -","- C7 H16 I3 N O2 Pb -","- C28 H64 I12 N4 O8 Pb4 -","4","1","","Safdari, Majid; Fischer, Andreas; Xu, Bo; Kloo, Lars; Gardner, James M.","Structure and function relationships in alkylammonium lead(ii) iodide solar cells","Journal of Materials Chemistry A","2015","3","17","9201","","10.1039/C4TA06174H","","","0.71073","MoKα","","0.0296","0.0272","","","0.064","0.0648","","","","","","1.092","","","","has coordinates","233365","2020-10-21","18:00:00",""
"7235947","14.329","0.003","5.2662","0.0011","9.1129","0.0018","90","","119.1","0.03","90","","600.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Glycine sodium nitrate","","- C2 H5 N2 Na O5 -","- C2 H5 N2 Na O5 -","- C8 H20 N8 Na4 O20 -","4","1","","Dadsetani, M.; Omidi, A. R.","Ab initio study on optical properties of glycine sodium nitrate: a novel semiorganic nonlinear optical crystal","RSC Advances","2015","5","110","90559","","10.1039/C5RA14945B","","","0.71073","MoKα","","0.029","0.029","","","0.077","0.078","","","","","","1.071","","","","has coordinates","233779","2020-10-21","18:00:00",""
"7235976","16.054","0.002","12.6204","0.0019","13.685","0.003","90","","120.228","0.001","90","","2395.7","0.7","293","2","293.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H26 B2 F4 N4 -","- C24 H26 B2 F4 N4 -","- C96 H104 B8 F16 N16 -","4","1","","Jiao, Lijuan; Yu, Changjiang; Wang, Jun; Briggs, Edward A.; Besley, Nicholas A.; Robinson, David; Ruedas-Rama, María J.; Orte, Angel; Crovetto, Luis; Talavera, Eva M.; Alvarez-Pez, Jose M.; Van der Auweraer, Mark; Boens, Noël","Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes","RSC Advances","2015","5","109","89375","","10.1039/C5RA17419H","","","0.71","MoKα","","0.0558","0.0373","","","0.0872","0.0987","","","","","","1.01","","","","has coordinates,has disorder","233802","2020-10-21","18:00:00",""
"7236024","15.136","0.002","10.038","0.002","15.178","0.003","90","","100.706","0.004","90","","2265.9","0.7","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H27 F N Sb -","- C25 H27 F N Sb -","- C100 H108 F4 N4 Sb4 -","4","1","","Preda, Ana Maria; Raţ, Ciprian I.; Silvestru, Cristian; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Hypervalent diorganoantimony(iii) fluorides via diorganoantimony(iii) cations ‒ a general method of synthesis","RSC Advances","2015","5","121","99832","","10.1039/C5RA21788A","","","0.71073","MoKα","","0.022","0.0215","","","0.0499","0.0501","","","","","","1.077","","","","has coordinates","233844","2020-10-21","18:00:00",""
"7236052","8.386","0.0013","17.199","0.0015","25.132","0.004","90","0.005","94.182","0.005","90","0.005","3615.2","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H28 N10 O6 Zn2 -","- C34 H28 N10 O6 Zn2 -","- C136 H112 N40 O24 Zn8 -","4","1","","Bao, Shao-Juan; Krishna, Rajamani; He, Ya-Bing; Qin, Jun-Sheng; Su, Zhong-Min; Li, Shun-Li; Xie, Wei; Du, Dong-Ying; He, Wen-Wen; Zhang, Shu-Ran; Lan, Ya-Qian","A stable metal‒organic framework with suitable pore sizes and rich uncoordinated nitrogen atoms on the internal surface of micropores for highly efficient CO2 capture","Journal of Materials Chemistry A","2015","3","14","7361","","10.1039/C5TA00256G","","","0.71069","MoKα","","0.0682","0.0473","","","0.1119","0.1218","","","","","","1.013","","","","has coordinates","233876","2020-10-21","18:00:00",""
"7236162","18.3728","0.0003","12.264","0.0002","15.3996","0.0002","90","","96.439","0.002","90","","3448.01","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H32 Cu N10 O6 -","- C36 H32 Cu N10 O6 -","- C144 H128 Cu4 N40 O24 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0383","0.0336","","","0.0767","0.0794","","","","","","1.06","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236254","14.437","0.0012","15.0453","0.0012","9.43","0.0008","90","","122.287","0.0009","90","","1731.6","0.2","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","LiMM4411","","","- C10 H28 Li N O9 S2 -","- C10 H28 Li N O9 S2 -","- C40 H112 Li4 N4 O36 S8 -","4","1","","Hosseini-Bab-Anari, Elham; Boschin, Andrea; Mandai, Toshihiko; Masu, Hyuma; Moth-Poulsen, Kasper; Johansson, Patrik","Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes","RSC Advances","2016","6","88","85194","","10.1039/C6RA19623C","","","0.71073","MoKα","","0.0354","0.0302","","","0.0642","0.0672","","","","","","1.072","","","","has coordinates","235321","2020-10-21","18:00:00",""
"7236687","9.805","0.005","39.34","0.02","9.106","0.005","90","","115.444","0.008","90","","3172","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H34 N2 O2 S -","- C39 H34 N2 O2 S -","- C156 H136 N8 O8 S4 -","4","1","","Han, Xie; Zhang, Bibo; Chen, Jianhua; Liu, Sheng Hua; Tan, Chunyan; Liu, Haiyang; Lang, Matthew J.; Tan, Ying; Liu, Xiaogang; Yin, Jun","Modulating aggregation-induced emission via a non-conjugated linkage of fluorophores to tetraphenylethenes","Journal of Materials Chemistry B","2017","5","26","5096","","10.1039/C7TB00623C","","","0.71073","MoKα","","0.1189","0.0608","","","0.1325","0.1594","","","","","","0.998","","","","has coordinates,has disorder","236426","2020-10-21","18:00:00",""
"7236813","11.152","0.002","9.6889","0.0019","30.579","0.006","90","","97.11","0.03","90","","3278.7","1.1","173.15","","173.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C176 H160 N16 -","8","2","","Li, Zhi-Zhou; Wang, Xue-Dong; Liao, Liang-Sheng","Luminescence-/morphology-modulation of organic microcrystals by a protonation process","Journal of Materials Chemistry C","2017","5","27","6661","","10.1039/C7TC02013A","","","0.71073","MoKα","","0.1216","0.0977","","","0.2233","0.2441","","","","","","1.071","","","","has coordinates","236535","2020-10-21","18:00:00",""
"7237182","15.301","0.005","6.684","0.005","15.203","0.005","90","","106.027","0.005","90","","1494.4","1.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","tris(1-aminotetrazolyl) dinitrato copper(II)","tris(1-aminotetrazolyl) dinitrato copper(II)","","- C3 H9 Cu N17 O6 -","- C3 H9 Cu N17 O6 -","- C12 H36 Cu4 N68 O24 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0392","0.0328","","","0.0545","0.0575","","","","","","1.033","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237266","20.2784","0.0012","11.6978","0.0007","20.667","0.0012","90","","115.464","0.001","90","","4426.2","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H30 Ag3 F9 N12 O10 S3 -","- C30 H30 Ag3 F9 N12 O10 S3 -","- C120 H120 Ag12 F36 N48 O40 S12 -","4","1","","Wang, Xin Rui; Du, Jing; Huang, Zhuo; Liu, Kun; Liu, Yuan Yuan; Huo, Jian Zhong; Liu, Zhong Yi; Dong, Xiao Yu; Chen, Li Li; Ding, Bin","Anion directing self-assembly of 2D and 3D water-stable silver(i) cation metal organic frameworks and their applications in real-time discriminating cysteine and DNA detection","Journal of Materials Chemistry B","2018","6","28","4569","","10.1039/C8TB01032C","","","0.71073","MoKα","","0.0318","0.0266","","","0.0571","0.0596","","","","","","1.019","","","","has coordinates","237538","2020-10-21","18:00:00",""
"7237267","10.1679","0.0009","21.1811","0.0018","9.9402","0.0008","90","","92.138","0.002","90","","2139.3","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H20 Ag B F4 N8 -","- C18 H20 Ag B F4 N8 -","- C72 H80 Ag4 B4 F16 N32 -","4","1","","Wang, Xin Rui; Du, Jing; Huang, Zhuo; Liu, Kun; Liu, Yuan Yuan; Huo, Jian Zhong; Liu, Zhong Yi; Dong, Xiao Yu; Chen, Li Li; Ding, Bin","Anion directing self-assembly of 2D and 3D water-stable silver(i) cation metal organic frameworks and their applications in real-time discriminating cysteine and DNA detection","Journal of Materials Chemistry B","2018","6","28","4569","","10.1039/C8TB01032C","","","0.71073","MoKα","","0.0399","0.0365","","","0.0826","0.0851","","","","","","1.074","","","","has coordinates","237538","2020-10-21","18:00:00",""
"7237431","10.1937","0.0012","24.9479","0.0016","7.566","0.002","90","","119.872","0.017","90","","1668.5","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","EE","","- C20 H16 B N O2 -","- C20 H16 B N O2 -","- C80 H64 B4 N4 O8 -","4","1","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.0707","0.0504","","","0.1122","0.1219","","","","","","1.036","","","","has coordinates","237664","2020-10-21","18:00:00",""
"7237453","24.28","0.002","7.813","0.0005","8.0236","0.0006","90","","98.476","0.003","90","","1505.45","0.19","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H18 Br2.6 Cl1.4 N2 Pb -","- C6 H18 Br2.6 Cl1.4 N2 Pb -","- C24 H72 Br10.4 Cl5.6 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.0803","0.073","","","0.2238","0.2326","","","","","","1.074","","","","has coordinates","237676","2020-10-21","18:00:00",""
"7237454","24.3453","0.0017","7.8535","0.0003","8.1277","0.0005","90","","98.776","0.006","90","","1535.79","0.16","100","0.2","100","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H17 Br3.4 Cl0.6 N2 Pb -","- C6 H17 Br3.4 Cl0.6 N2 Pb -","- C24 H68 Br13.6 Cl2.4 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.068","0.0579","","","0.1512","0.1658","","","","","","1.054","","","","has coordinates","237676","2020-10-21","18:00:00",""
"7237455","24.3895","0.001","7.8879","0.0003","8.2067","0.0003","90","","98.966","0.002","90","","1559.53","0.1","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H18 Br3.8 Cl0.2 N2 Pb -","- C6 H18 Br3.8 Cl0.2 N2 Pb -","- C24 H72 Br15.2 Cl0.8 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.0458","0.0408","","","0.1197","0.1245","","","","","","1.073","","","","has coordinates","237676","2020-10-21","18:00:00",""
"7237456","23.9782","0.0013","7.609","0.0004","7.8269","0.0005","90","","97.496","0.005","90","","1415.81","0.14","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H18 Cl4 N2 Pb -","- C6 H18 Cl4 N2 Pb -","- C24 H72 Cl16 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.0315","0.02","","","0.0361","0.0409","","","","","","1.039","","","","has coordinates","237678","2020-10-21","18:00:00",""
"7237655","16.224","0.002","5.5034","0.0007","10.7701","0.0013","90","","125.781","0.003","90","","780.13","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C12 H20 N36 O12 -","4","1","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0441","0.0366","","","0.0876","0.0922","","","","","","1.045","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237931","17.32","0.003","14.524","0.003","13.424","0.004","90","","125.116","0.008","90","","2762.3","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Cu N4 O6 Se -","- C30 H28 Cu N4 O6 Se -","- C120 H112 Cu4 N16 O24 Se4 -","4","1","","Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen","The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system","Journal of Materials Chemistry C","2019","7","35","11022","","10.1039/C9TC03462E","","","0.71073","MoKα","","0.0515","0.0456","","","0.0967","0.1005","","","","","","1.042","","","","has coordinates","238759","2020-10-21","18:00:00",""
"7238015","22.789","0.0012","11.8841","0.0007","38.1493","0.0018","90","","104.566","0.005","90","","9999.8","0.9","173","0.1","173","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H31 N O2 -","- C33 H31 N O2 -","- C528 H496 N16 O32 -","16","4","","Zhang, Fang; Liang, Xiaozhong; Li, Da; Yin, Xiangkai; Tian, Xia; Li, Bin; Xu, Hong; Guo, Kunpeng; Li, Jie","Utilizing the heterocyclic effect towards high contrast ratios of mechanoresponsive luminescence based on aromatic aldehydes","Journal of Materials Chemistry C","2019","7","39","12328","","10.1039/C9TC04586D","","","0.71073","MoKα","","0.1294","0.073","","","0.1444","0.1876","","","","","","1.036","","","","has coordinates","238837","2020-10-21","18:00:00",""
"7238208","22.428","0.006","8.4214","0.0017","19.787","0.008","90","","113.21","0.03","90","","3435","2","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","DIPZ+F","","","- C40 H50 F N5 -","- C40 H50 F N5 -","- C160 H200 F4 N20 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0972","0.0626","","","0.1297","0.14","","","","","","1.011","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238232","10.2533","0.0008","16.2583","0.0013","12.0825","0.0014","90","","96.909","0.002","90","","1999.5","0.3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H15 Eu N2 O9 S -","- C20 H15 Eu N2 O9 S -","- C80 H60 Eu4 N8 O36 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0401","0.0366","","","0.0869","0.0894","","","","","","1.059","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238338","3.7854","0.0003","46.326","0.005","6.1728","0.0006","90","","104.357","0.006","90","","1048.67","0.18","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Dimethyl 1,8-naphthyridine-2,7-dicarboxylate","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0539","0.0465","","","0.1237","0.1298","","","","","","1.057","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238343","19.824","0.004","6.8479","0.0014","19.765","0.004","90","","117.16","0.03","90","","2387.3","1.1","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H22 Mn3 N2 O21 -","- C16 H22 Mn3 N2 O21 -","- C64 H88 Mn12 N8 O84 -","4","1","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0346","0.027","","","0.0578","0.0685","","","","","","1.11","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238554","9.7301","0.0009","54.938","0.005","5.4824","0.0005","90","","92.879","0.006","90","","2926.9","0.5","104","2","104","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H29 N5 O -","- C39 H29 N5 O -","- C156 H116 N20 O4 -","4","1","","Bhaumik, Chanchal; Maity, Dinesh; Das, Shyamal; Baitalik, Sujoy","Synthesis, structural characterization, solvatochromism, and ion-binding studies of a ditopic receptor based on 2-(4-[2,2′: 6′,2′′]terpyridin-4′-yl-phenyl)-1H-phenanthro[9,10-d] imidazole (tpy-HImzphen) unit","RSC Advances","2012","2","6","2581","","10.1039/c2ra00023g","","","0.71073","MoKα","","0.0664","0.0428","","","0.0992","0.1115","","","","","","0.897","","","","has coordinates","244229","2020-10-21","18:00:00",""
"7238738","6.7583","0.0003","17.8626","0.0007","10.4574","0.0005","90","","104.431","0.005","90","","1222.59","0.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","10-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","10-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.7107","MoKα","","0.0529","0.0381","","","0.0792","0.0844","","","","","","1.003","","","","has coordinates","244322","2020-10-21","18:00:00",""
"7238852","12.4176","0.0002","22.5346","0.0003","10.1644","0.0002","90","","107.054","0.002","90","","2719.19","0.08","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H28 Cu3 F6 N4 O14 Si -","- C16 H28 Cu3 F6 N4 O14 Si -","- C64 H112 Cu12 F24 N16 O56 Si4 -","4","1","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0282","0.0266","","","0.0687","0.0699","","","","","","1.056","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7239201","20.321","0.006","12.9865","0.0016","14.312","0.003","90","","99.21","0.02","90","","3728.2","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H30 N6 O17 Zn4 -","- C32 H30 N6 O17 Zn4 -","- C128 H120 N24 O68 Zn16 -","4","1","","Yu, Meihui; Hu, Ming; Wu, Zhenting","Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid","RSC Advances","2013","3","47","25175","","10.1039/c3ra43425g","","","0.71073","MoKα","","0.1441","0.1027","","","0.2708","0.3252","","","","","","1.07","","","","has coordinates","244597","2020-10-21","18:00:00",""
"7239361","5.9752","0.0009","25.124","0.004","13.832","0.0017","90","","97.08","0.009","90","","2060.6","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C104 H80 N16 -","8","2","","Khatun, Nilufa; Gogoi, Anupal; Basu, Pallabita; Das, Prasenjit; Patel, Bhisma K.","CuO nanoparticle catalysed synthesis of 2H-indazoles under ligand free conditions","RSC Adv.","2014","4","8","4080","","10.1039/C3RA45298K","","","0.71073","MoKα","","0.137","0.0681","","","0.2066","0.2543","","","","","","1.009","","","","has coordinates","244669","2020-10-21","18:00:00",""
"7239789","24.515","0.01","8.492","0.004","25.298","0.01","90","","119.248","0.012","90","","4595","3","100","2","100.13","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H27 F3 N8 O6 -","- C16 H27 F3 N8 O6 -","- C128 H216 F24 N64 O48 -","8","2","","Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.","Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones","RSC Advances","2020","10","6","3217","3220","10.1039/C9RA08056B","","","0.71073","MoKα","","0.068","0.0536","","","0.1309","0.1421","","","","","","1.049","","","","has coordinates","258056","2020-10-21","18:00:00",""
"7239884","16.2697","0.001","9.5846","0.0005","13.562","0.0009","90","","111.878","0.007","90","","1962.5","0.2","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H20 Br2 Cl6 N2 Te -","- C6 H20 Br2 Cl6 N2 Te -","- C24 H80 Br8 Cl24 N8 Te4 -","4","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0284","0.0274","","","0.0661","0.0667","","","","","","1.051","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7240088","7.0192","0.0004","16.1126","0.0007","15.0998","0.0008","90","","102.955","0.004","90","","1664.28","0.15","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H24 N12 O8 Pb2 S2 -","- C28 H24 N12 O8 Pb2 S2 -","- C56 H48 N24 O16 Pb4 S4 -","2","0.5","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.045","0.0423","","","0.1043","0.1055","","","","","","1.059","","","","has coordinates","249166","2020-10-21","18:00:00",""
"7240632","16.428","0.003","6.0198","0.0012","14.604","0.003","90","","100.02","0.02","90","","1422.2","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","","- C13 H11 Cl4 N O -","- C13 H11 Cl4 N O -","- C52 H44 Cl16 N4 O4 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0174","0.0174","","","0.0483","0.0483","","","","","","1.064","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240672","25.4166","0.0016","16.5833","0.001","14.6422","0.0008","90","","105.981","0.002","90","","5933","0.6","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C69 H56 Cu F6 N2 O3 P3 -","- C69 H56 Cu F6 N2 O3 P3 -","- C276 H224 Cu4 F24 N8 O12 P12 -","4","1","","Forero-Cortés, Paola A.; Marx, Maximilian; Moustakas, Nikolaos G.; Brunner, Fabian; Housecroft, Catherine E.; Constable, Edwin C.; Junge, Henrik; Beller, Matthias; Strunk, Jennifer","Transferring photocatalytic CO2 reduction mediated by Cu(N^N)(P^P)+ complexes from organic solvents into ionic liquid media","Green Chemistry","2020","22","14","4541","4549","10.1039/D0GC01627F","","","0.71073","MoKα","","0.0368","0.0343","","","0.0851","0.0867","","","","","","1.038","","","","has coordinates","257608","2020-10-21","18:00:00",""
"7241034","21.2861","0.0005","13.4278","0.0003","12.7119","0.0003","90","","115.582","0.002","90","","3277.2","0.14","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H56 Br3 N3 O4 -","- C27 H56 Br3 N3 O4 -","- C108 H224 Br12 N12 O16 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0275","0.024","","","0.0536","0.0551","","","","","","1.001","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241140","3.8428","0.0003","36.328","0.003","11.0693","0.0008","90","","91.93","0.004","90","","1544.4","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H12 O3 S -","- C21 H12 O3 S -","- C84 H48 O12 S4 -","4","1","","Boufroura, Hamza; Plais, Romain; Poyer, Salomé; Gaucher, Anne; Marrot, Jérome; Clavier, Gilles; Legrand, François-Xavier; Huin, Cécile; Guégan, Philippe; Prim, Damien; Salpin, Jean-Yves","Helically shaped cation receptor: design, synthesis, characterisation and first application to ion transport","RSC Advances","2020","10","52","31670","31679","10.1039/D0RA05519K","","","0.71073","MoKα","","0.0818","0.067","","","0.1602","0.1709","","","","","","1.021","","","","has coordinates","258041","2020-10-21","18:00:00",""
"7241184","26.8338","0.0004","5.8195","0.0001","11.9509","0.0002","90","","104.299","0.001","90","","1808.43","0.05","296.7","0.4","296.7","0.4","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0285","0.0283","","","0.082","0.0824","","","","","","1.082","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241301","29.0458","0.0015","26.4503","0.0014","19.6654","0.0011","90","","98.978","0.003","90","","14923.2","1.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C265 H273 Ag8 Cl3 F24 O65 P0 S36 -","- C265 H273 Ag8 Cl3 F24 O65 S36 -","- C530 H546 Ag16 Cl6 F48 O130 S72 -","2","0.5","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.1494","0.0743","","","0.1657","0.2129","","","","","","1.007","","","","has coordinates","256752","2020-10-21","18:00:00",""
"7241397","25.3683","0.0016","10.4046","0.0007","15.3557","0.0009","90","","94.108","0.004","90","","4042.7","0.4","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C148 H152 Cd4 Cl4 Cu8 N20 O36 S4 -","4","1","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0561","0.0454","","","0.1196","0.1303","","","","","","1.136","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241502","13.335","0.004","16.4","0.005","8.497","0.003","90","","93.567","0.005","90","","1854.6","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C15 H14 Ag F3 N4 O3 S -","- C15 H14 Ag F3 N4 O3 S -","- C60 H56 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0915","0.0745","","","0.1621","0.1709","","","","","","1.072","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241504","13.3761","0.0007","16.6393","0.001","8.5931","0.0005","90","","93.452","0.003","90","","1909.09","0.19","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C16 H16 Ag F3 N4 O3 S -","- C16 H16 Ag F3 N4 O3 S -","- C64 H64 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","1.54178","CuKα","","0.0614","0.0525","","","0.1105","0.114","","","","","","0.989","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241539","27.515","0.007","19.112","0.005","27.087","0.007","90","","102.745","0.003","90","","13893","6","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 O84 Pr11 -","- C76 H72 Ge12 N16 O80 Pr11 -","- C304 H288 Ge48 N64 O320 Pr44 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.0715","0.0503","","","0.1263","0.1416","","","","","","1.007","","","","has coordinates","259309","2020-11-29","02:49:26",""
"7241540","27.547","0.005","19.086","0.004","27.056","0.005","90","","103.12","0.002","90","","13854","5","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 Nd11 O84 -","- C76 H72 Ge12 N16 Nd11 O80 -","- C304 H288 Ge48 N64 Nd44 O320 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.1029","0.068","","","0.1691","0.1946","","","","","","0.999","","","","has coordinates","259309","2020-11-29","02:49:27",""
"7241579","10.4053","0.0002","32.028","0.0006","10.37836","0.00018","90","","93.2313","0.0018","90","","3453.2","0.11","136","1","136","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C45 H30 N4 -","- C45 H30 N4 -","- C180 H120 N16 -","4","1","","Han, Yanning; Zhang, Tong; Chen, Xinyu; Chen, Qiao; Xue, Pengchong","Spacer group-controlled luminescence and response of C3-symmetric triphenylamine derivatives towards force stimuli","CrystEngComm","2021","23","1","202","209","10.1039/D0CE01539C","","x-ray","1.54184","CuKα","","0.0688","0.0634","","","0.169","0.1778","","","","","","1.065","","","","has coordinates","261593","2021-02-04","22:56:43",""
"7241605","9.2402","0.0004","31.6946","0.0017","6.4645","0.0003","90","","101.052","0.002","90","","1858.11","0.15","180","","180","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 O6 S -","- C20 H22 O6 S -","- C80 H88 O24 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.04","0.0345","","","0.069","0.0713","","","","","","1.066","","","","has coordinates","261584","2021-02-04","22:53:22",""
"7241687","12.834","0.009","18.991","0.01","8.136","0.006","90","","113.36","0.03","90","","1820","2","293","2","293","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra","Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters","RSC Advances","2020","10","65","39366","39372","10.1039/D0RA05316C","","","0.71076","MoKα","","0.1106","0.0786","","","0.1879","0.2075","","","","","","1.05","","","","has coordinates","259592","2020-12-06","08:45:00",""
"7241750","13.2067","0.0016","15.497","0.0018","16.513","0.002","90","","108.694","0.002","90","","3201.3","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 Cd2 N2 O13 -","- C30 H22 Cd2 N2 O13 -","- C120 H88 Cd8 N8 O52 -","4","1","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang","Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence","CrystEngComm","2021","23","4","850","856","10.1039/D0CE01545H","","","0.71073","MoKα","","0.0297","0.0284","","","0.0697","0.0704","","","","","","1.006","","","","has coordinates","261612","2021-02-04","23:00:19",""
"7241891","7.5601","0.0002","22.2124","0.0005","13.5335","0.0003","90","","103.107","0.003","90","","2213.45","0.1","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C64 H48 Au8 Cl24 N16 -","8","2","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.0205","0.0197","","","0.0429","0.0435","","","","","","1.04","","","","has coordinates","260010","2020-12-19","06:01:52",""
"7241947","3.8385","0.0008","27.44","0.006","12.924","0.003","90","","95.52","0.03","90","","1355","0.5","293","","293","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.5159","synchrotron","","0.0933","0.0619","","0.1567","0.1244","0.1567","","","","","","0.9871","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241948","3.86184","0.00017","27.587","0.0014","13.0065","0.0005","90","","95.678","0.004","90","","1378.87","0.11","150","","150","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.0513","0.0484","","0.1232","0.121","0.1232","","","","","","0.9623","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241949","3.8299","0.0003","27.522","0.0019","13.0115","0.0016","90","","95.766","0.01","90","","1364.6","0.2","80","","80","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.064","0.0599","","0.1596","0.1531","0.1596","","","","","","1.0078","","","","has coordinates,has disorder","261600","2021-02-04","22:58:00",""
"7242351","12.3623","0.001","22.09","0.002","16.5066","0.0013","90","","107.211","0.002","90","","4305.8","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H42 N6 O13 S5 Zn3 -","- C30 H42 N6 O13 S5 Zn3 -","- C120 H168 N24 O52 S20 Zn12 -","4","1","","Siddique, Armeen; I., Mantasha; Rawat, Poonam; Singh, Ram Niwas; Shahid, M.; Trivedi, Sweta; Gautam, Anshu; Zeeshan, Mohd","A new Zn(ii) MOF assembled from metal‒organic cubes (MOCs) as a highly efficient adsorbent for cationic dyes","CrystEngComm","2021","23","11","2316","2325","10.1039/D0CE01577F","","","0.71073","MoKα","","0.0896","0.0824","","","0.2197","0.227","","","","","","1.0389","","","","has coordinates","263731","2021-04-05","14:35:32",""
"7242538","12.4423","0.0004","24.3784","0.0008","8.8538","0.0003","90","","114.025","0.001","90","","2452.91","0.14","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Cl2 F0.25 O6 -","- C30 H18 Cl2 F4 O2 -","- C120 H72 Cl8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0326","0.0294","","","0.0702","0.0726","","","","","","1.049","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242546","25.053","0.003","5.7339","0.0008","8.0226","0.001","90","","95.745","0.005","90","","1146.7","0.3","100","2","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0632","0.0425","","","0.0787","0.0856","","","","","","1.051","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242549","12.606","0.005","24.432","0.01","9.056","0.003","90","","114.764","0.011","90","","2532.7","1.7","100","2","99.98","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Br2 F4 O2 -","- C30 H18 Br2 F4 O2 -","- C120 H72 Br8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1053","0.0456","","","0.0777","0.0908","","","","","","0.952","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242566","4.8535","0.0006","37.442","0.005","11.8808","0.001","90","","101.043","0.01","90","","2119.1","0.4","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","PHZOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C28 H24 N4 -","- C28 H24 N4 -","- C112 H96 N16 -","4","1","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","1.54184","CuKα","","0.0812","0.0719","","","0.1877","0.204","","","","","","1.021","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242677","4.8625","0.0006","27.236","0.003","16.031","0.002","90","","97.22","0.004","90","","2106.2","0.4","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H19 Br3 N4 O -","- C20 H19 Br3 N4 O -","- C80 H76 Br12 N16 O4 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0718","0.0427","","","0.0854","0.0954","","","","","","1.064","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242678","4.6889","0.0002","27.4022","0.0012","16.2907","0.0007","90","","95.444","0.002","90","","2083.69","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H21 Cl3 N4 O2 -","- C20 H21 Cl3 N4 O2 -","- C80 H84 Cl12 N16 O8 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0352","0.0319","","","0.0794","0.0815","","","","","","1.042","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242746","31.5211","0.0004","14.7867","0.0002","33.4555","0.0005","90","","112.551","0.002","90","","14401.1","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C47 H41 N3 O2 -","- C47 H41 N3 O2 -","- C752 H656 N48 O32 -","16","4","","Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D.","Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers.","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP01125A","","","1.54178","CuKα","","0.0891","0.0783","","","0.2115","0.2221","","","","","","1.036","","","","has coordinates","264850","2021-05-05","03:44:46",""
"7242838","10.6079","0.0003","42.6839","0.0012","8.2782","0.0002","90","","128.984","0.001","90","","2913.6","0.14","173.15","","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H14 Cl2 N2 -","- C15 H14 Cl2 N2 -","- C120 H112 Cl16 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.035","0.0339","","","0.09","0.0907","","","","","","1.046","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7243397","10.7445","0.0003","19.4078","0.0005","8.7809","0.0002","90","","112.949","0.001","90","","1686.13","0.08","100","0.2","100","0.2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0419","0.0334","","","0.0757","0.0808","","","","","","1.064","","","","has coordinates","268148","2021-08-20","01:12:46",""
"7243448","13.9233","0.0007","14.4415","0.0009","12.9349","0.0007","90","","100.826","0.002","90","","2554.6","0.2","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H7 Br F6 O3 -","- C11 H7 Br F6 O3 -","- C88 H56 Br8 F48 O24 -","8","2","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","x-ray","0.71073","MoKα","","0.0251","0.023","","","0.0533","0.0541","","","","","","0.833","","","","has coordinates","268224","2021-08-26","01:25:26",""
"7243496","52.556","0.003","3.8744","0.0003","24.2104","0.0014","90","","103.315","0.003","90","","4797.3","0.5","262","","262","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C256 H176 N16 O32 -","16","4","","Ikeda, Kazuho; Yoo, Dongho; Nishikawa, Ryu; Kawamoto, Tadashi; Mori, Takehiko","Charge injected proton transfer in indigo derivatives","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03364F","","","1.54187","CuKα","","0.1551","0.1152","","","0.2868","0.35","","","","","","1.043","","","","has coordinates","269057","2021-09-09","00:45:21",""
"7243503","10.5012","0.001","21.4163","0.0019","10.7561","0.0009","90","","116.366","0.003","90","","2167.4","0.3","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C112 H84 N12 O8 -","4","1","","Thadem, Nagender; Rajesh, Manda; Das, Saibal","Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts","RSC Advances","2021","11","48","29934","29938","10.1039/D1RA05070B","","","0.71073","MoKα","","0.0473","0.0411","","","0.1055","0.1105","","","","","","1.017","","","","has coordinates","269085","2021-09-10","01:21:52",""
"7243618","3.8635","0.0001","26.708","0.001","12.5375","0.0003","90","","90.609","0.003","90","","1293.63","0.07","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H11 F2 N -","- C19 H11 F2 N -","- C76 H44 F8 N4 -","4","1","","Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang","Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations","Green Chemistry","2021","23","20","7950","7955","10.1039/D1GC02303A","","","1.54184","CuKα","","0.0465","0.0459","","","0.1169","0.1172","","","","","","1.176","","","","has coordinates","270461","2021-11-06","20:14:15",""
"7243647","41.7895","0.0009","8.5044","0.0002","21.2104","0.0004","90","","107.837","0.001","90","","7175.7","0.3","90","","90","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15.25 H11.25 Cl2 K N3.75 O0.75 Pt -","- C15.25 H11.25 Cl2 K N3.75 O0.75 Pt -","- C244 H180 Cl32 K16 N60 O12 Pt16 -","16","4","","Shigeta, Yasuhiro; Nanko, Ryota; Amemori, Shogo; Mizuno, Motohiro","Coordination-based vapochromic behavior of a luminescent Pt(ii) complex with potassium ions","RSC Advances","2021","11","48","30046","30053","10.1039/D1RA05236E","","","1.54178","CuKα","","0.0394","0.0335","","","0.0793","0.085","","","","","","1.064","","","","has coordinates","269398","2021-09-30","01:47:57",""
"7243695","19.6662","0.0002","20.9151","0.0001","18.3648","0.0002","90","","117.44","0.002","90","","6703.97","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H40 Cu2 N8 O16 Pd2 -","- C50 H40 Cu2 N8 O16 Pd2 -","- C200 H160 Cu8 N32 O64 Pd8 -","4","1","","Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.","Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex","CrystEngComm","2021","23","42","7418","7424","10.1039/D1CE00999K","","","1.54184","CuKα","","0.0478","0.0468","","","0.1209","0.1216","","","","","","1.029","","","","has coordinates","270423","2021-11-06","19:50:42",""
"7243705","16.1541","0.0002","18.0486","0.0002","23.7037","0.0003","90","","91.155","0.001","90","","6909.62","0.14","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H108 Ce N9 O12 S2 -","- C50 H107 Ce N9 O12 S2 -","- C200 H428 Ce4 N36 O48 S8 -","4","1","","Ying, Tingting; Tan, Yuhui; Tang, Yunzhi; Long, Xiao; Song, Ning; Li, Yukong; Sun, Zhen","Multifunctional rare earth molecular ferroelectrics with a piezoelectric response: ((nBu)4N)3[Ce(NO3)4(SCN)2]((CH3CH2CH2CH2)4N = tetrabutylammonium)","CrystEngComm","2021","23","46","8104","8109","10.1039/D1CE01153G","","","0.71073","MoKα","","0.039","0.0363","","","0.0981","0.0994","","","","","","1.052","","","","has coordinates,has disorder","271172","2021-12-07","03:07:31",""
"7243997","16.733","0.0005","12.1818","0.0003","17.9613","0.0005","90","","91","0.002","90","","3660.64","0.17","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H41 Co F3 N5 O12 S -","- C34 H41 Co F3 N5 O12 S -","- C136 H164 Co4 F12 N20 O48 S4 -","4","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0471","0.0413","","","0.0885","0.0927","","","","","","1.031","","","","has coordinates","272602","2022-02-04","19:17:49",""
"7244077","16.616","0.003","16.088","0.003","12.63","0.003","90","","110.69","0.03","90","","3158.5","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sulfathiazole, N,N-dibutylformamide solvate","Sulfathiazole, N,N-dibutylformamide (2:1) solvate","","- C27 H37 N7 O5 S4 -","- C27 H37 N7 O5 S4 -","- C108 H148 N28 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0439","0.0356","","","0.0819","0.0859","","","","","","1.026","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244106","13.0381","0.0003","20.5925","0.0007","7.15692","0.00019","90","","91.598","0.003","90","","1920.79","0.09","149.99","0.1","149.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H21 B Cl N3 O2 -","- C20 H21 B Cl N3 O2 -","- C80 H84 B4 Cl4 N12 O8 -","4","1","","Zheng, Huitao; Xiong, Honggang; Su, Chaobo; Cao, Hua; Yao, Huagang; Liu, Xiang","Photoinduced successive oxidative ring-opening and borylation of indolizines with NHC-boranes.","RSC advances","2021","12","1","470","474","10.1039/d1ra08072e","","x-ray","1.54184","CuKα","","0.0361","0.0346","","","0.0857","0.088","","","","","","1.073","","","","has coordinates","275073","2022-05-05","20:56:50",""
"7244153","11.9314","0.0004","26.0057","0.001","10.2556","0.0003","90","","101.605","0.003","90","","3117.1","0.19","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0267","0.0232","","","0.0522","0.0535","","","","","","1","","","","has coordinates","271925","2022-01-06","23:38:14",""
"7244154","11.9641","0.0005","26.0973","0.001","10.2505","0.0004","90","","101.699","0.004","90","","3134","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0323","0.0276","","","0.0648","0.0663","","","","","","1.014","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244155","11.9564","0.0004","26.0615","0.001","10.2663","0.0004","90","","101.52","0.004","90","","3134.6","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.033","0.0284","","","0.0685","0.0705","","","","","","1.001","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244156","12.0314","0.0004","26.2812","0.001","10.1334","0.0004","90","","102.376","0.003","90","","3129.7","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.03","0.0251","","","0.0576","0.0592","","","","","","1.051","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244157","11.9956","0.0005","26.2113","0.0009","10.1788","0.0003","90","","102.258","0.004","90","","3127.5","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0297","0.0258","","","0.0621","0.0634","","","","","","1.059","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244158","12.0065","0.0006","26.2353","0.0011","10.1974","0.0003","90","","102.144","0.004","90","","3140.2","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0384","0.0322","","","0.0777","0.0806","","","","","","1.05","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244159","12.017","0.0005","26.3115","0.0011","10.1716","0.0004","90","","102.509","0.004","90","","3139.8","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0375","0.0313","","","0.0763","0.0792","","","","","","1.032","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244216","15.3816","0.0011","9.2277","0.0011","12.6805","0.0011","90","","113.079","0.003","90","","1655.8","0.3","150","","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H27 Cl3 Cr N5 O -","- C10 H27 Cl3 Cr N5 O -","- C40 H108 Cl12 Cr4 N20 O4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0355","0.0296","","","0.0552","0.057","","","","","","1.044","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244259","11.7324","0.0002","20.7132","0.0003","23.3587","0.0004","90","","95.466","0.002","90","","5650.72","0.16","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H62 Cu2 N8 O3 P2 -","- C64 H62 Cu2 N8 O3 P2 -","- C256 H248 Cu8 N32 O12 P8 -","4","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","1.54178","CuKα","","0.0832","0.0827","","","0.2124","0.2129","","","","","","1.059","","","","has coordinates","272169","2022-01-20","23:39:18",""
"7244273","13.1544","0.0004","21.5464","0.0004","18.6498","0.0006","90","","109.32","0.003","90","","4988.2","0.3","120.1","0.4","120.1","0.4","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H38 Cl2 F12 N10 O12 Zn -","- C46 H38 Cl2 F12 N10 O12 Zn -","- C184 H152 Cl8 F48 N40 O48 Zn4 -","4","1","","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","0.71073","MoKα","","0.0466","0.0398","","","0.0833","0.0872","","","","","","1.017","","","","has coordinates","272181","2022-01-21","02:14:58",""
"7244323","18.3214","0.0007","17.8962","0.0007","22.4009","0.0009","90","","113.982","0.003","90","","6710.8","0.5","292.36","","292.36","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C55 H62 Br0.27 N27.74 O29.21 U2 -","- C55 H62 Br0.265 N27.735 O29.205 U2 -","- C220 H248 Br1.06 N110.94 O116.82 U8 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0395","0.027","","","0.0578","0.0626","","","","","","1.0459","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244415","13.7075","0.0008","21.2787","0.0013","9.1536","0.0006","90","","95.127","0.001","90","","2659.2","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","dichloridobis(<i>N</i>-(2-aminophenyl)-2-(5-methyl-1<i>H</i>-pyrazol-3-yl)acetamide)cadmium(II)","","- C24 H28 Cd Cl2 N8 O2 -","- C24 H28 Cd Cl2 N8 O2 -","- C96 H112 Cd4 Cl8 N32 O8 -","4","1","","Chkirate, Karim; Karrouchi, Khalid; Chakchak, Hind; Mague, Joel T.; Radi, Smaail; Adarsh, N. N.; Li, Weiyang; Talbaoui, Ahmed; Essassi, El Mokhtar; Garcia, Yann","Coordination complexes constructed from pyrazole–acetamide and pyrazole–quinoxaline: effect of hydrogen bonding on the self-assembly process and antibacterial activity","RSC Advances","2022","12","9","5324","5339","10.1039/D1RA09027E","","","0.71073","MoKα","","0.0246","0.0228","","","0.0525","0.0529","","","","","","1.029","","","","has coordinates","272959","2022-02-15","02:14:21",""
"7244548","7.0482","0.0003","11.4371","0.0005","11.1712","0.0006","90","","94.909","0.005","90","","897.22","0.07","173","0.1","173","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C7 H10 Br N3 -","- C7 H10 Br N3 -","- C28 H40 Br4 N12 -","4","1","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0365","0.033","","","0.0703","0.072","","","","","","1.042","","","","has coordinates","273215","2022-03-03","01:49:32",""
"7244549","7.7092","0.0003","15.268","0.0004","7.4616","0.0003","90","","105.339","0.004","90","","846.97","0.05","173","0.1","173","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C7 H9 Br N2 -","- C7 H9 Br N2 -","- C28 H36 Br4 N8 -","4","1","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0249","0.0227","","","0.0486","0.0498","","","","","","1.034","","","","has coordinates","273215","2022-03-03","01:49:32",""
"7244657","9.9723","0.0009","12.5561","0.0012","5.5731","0.0006","90","","92.159","0.003","90","","697.33","0.12","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H4 Ag N5 O5 -","- C2 H4 Ag N5 O5 -","- C8 H16 Ag4 N20 O20 -","4","1","","Wang, Ting-wei; Zhang, Lu; Yi, Zhen-xin; Cao, Wen-li; Dong, Wen-shuai; Zhu, Shun-guan; Zhang, Jian-guo","New synthesis method for urazine and dissolution-crystallization of its Ag(i)-based laser energetic coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00182A","","","0.71073","MoKα","","0.0526","0.0523","","","0.1385","0.1389","","","","","","1.085","","","","has coordinates","273880","2022-03-21","23:40:43",""
"7245001","11.2472","0.0005","29.3","0.0016","13.5309","0.0007","90","","104.223","0.002","90","","4322.3","0.4","172","2","172","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H35 N9 Nd O23 -","- C37 H35 N9 Nd O23 -","- C148 H140 N36 Nd4 O92 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0596","0.04","","","0.0582","0.0628","","","","","","1.032","","","","has coordinates,has disorder","275692","2022-05-30","22:37:47",""
"7245137","11.9515","0.0004","14.8622","0.0005","13.3026","0.0005","90","","112.244","0.001","90","","2187.04","0.13","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile)","","- C29 H18 N2 O2 -","- C29 H18 N2 O2 -","- C116 H72 N8 O8 -","4","1","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.0728","0.0477","","","0.1154","0.1304","","","","","","1.08","","","","has coordinates","276548","2022-07-04","22:31:19",""
"7245176","8.6637","0.0004","19.5196","0.0008","6.8599","0.0004","90","","99.97","0.005","90","","1142.57","0.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H8 Cl Co N3 O3 -","- C9 H8 Cl Co N3 O3 -","- C36 H32 Cl4 Co4 N12 O12 -","4","1","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0344","0.03","","","0.0756","0.0783","","","","","","1.111","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245328","9.0039","0.0003","8.9895","0.0003","12.7798","0.0005","90","","100.406","0.003","90","","1017.39","0.06","297","","297","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 O14 P2 Sr V2 -","- H8 O14 P2 Sr V2 -","- H32 O56 P8 Sr4 V8 -","4","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","","0.71073","MoKα","","0.0303","0.0295","","","0.0656","0.0661","","","","","","1.032","","","","has coordinates","277263","2022-08-16","22:29:34",""
"7245510","11.3309","0.0009","12.4114","0.0011","14.7248","0.0012","90","","90.451","0.002","90","","2070.7","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","1,5-Diaminopentane 1,2-phthalicacid?1,5-Pentanediamineacidephtalique","1,5-Pentanediamine1,2-phthalicacid","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.0433","0.0381","","","0.0974","0.0999","","","","","","1.081","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245564","12.7703","0.0008","16.1875","0.001","22.0193","0.0014","90","","96.415","0.003","90","","4523.3","0.5","193","","193","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H30 Cd4 N4 O22 -","- C44 H30 Cd4 N4 O22 -","- C176 H120 Cd16 N16 O88 -","4","1","","Dong, Xiuyan; Li, Yuyan; Li, Duqingcuo; Liao, Donghui; Qin, Tianrui; Prakash, Om; Kumar, Abhinav; Liu, Jianqiang","A new 3D 8-connected Cd(ii) MOF as a potent photocatalyst for oxytetracycline antibiotic degradation","CrystEngComm","2022","","","","","10.1039/D2CE01121B","","","1.34139","GaKα","","0.0385","0.0328","","","0.0694","0.0717","","","","","","1.049","","","","has coordinates","278137","2022-09-26","15:24:48",""
"7245630","8.6009","0.0012","21.017","0.003","11.5416","0.0015","90","","94.661","0.003","90","","2079.4","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H22 F3 N3 O2 -","- C22 H22 F3 N3 O2 -","- C88 H88 F12 N12 O8 -","4","1","","Xuan, Liangming; Du, Ruyang; Lei, Panpan; Zhao, Wei; Tan, Lixiang; Ni, Chuanzhi; Wang, Haifeng; Yan, Qiongjiao; Wang, Wei; Chen, Fener","Remote C(sp3)–H heteroarylation of N-fluorocarboxamides with quinoxalin-2(1H)-ones under visible-light-induced photocatalyst-free conditions","Green Chemistry","2022","24","24","9475","9481","10.1039/D2GC02874C","","","0.71073","MoKα","","0.091","0.052","","","0.106","0.1244","","","","","","1.061","","","","has coordinates","280174","2023-01-06","09:40:59",""
"7245698","14.5768","0.0005","10.8025","0.0004","7.0493","0.0002","90","","95.84","0.001","90","","1104.26","0.06","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H5 I2 N3 S Zn -","- C6 H5 I2 N3 S Zn -","- C24 H20 I8 N12 S4 Zn4 -","4","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0366","0.0337","","","0.0782","0.0793","","","","","","1.08","","","","has coordinates,has disorder","278674","2022-10-20","22:38:26",""
"7245700","14.5782","0.0006","32.4028","0.0012","7.0488","0.0003","90","","95.846","0.002","90","","3312.4","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H5 I2 N3 S Zn -","- C6 H5 I2 N3 S Zn -","- C72 H60 I24 N36 S12 Zn12 -","12","3","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0646","0.0566","","","0.1464","0.1527","","","","","","1.049","","","","has coordinates,has disorder","278674","2022-10-20","22:38:26",""
"7245775","9.975","0.002","22.42","0.005","7.849","0.0016","90","","91.42","0.03","90","","1754.8","0.6","220","2","220","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.7","synchrotron","","0.0643","0.0499","","","0.1265","0.1348","","","","","","1.065","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245940","9.8502","0.0005","10.6342","0.0005","14.8943","0.0007","90","","103.318","0.002","90","","1518.2","0.13","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H4 F4 N2 S5 -","- C12 H4 F4 N2 S5 -","- C48 H16 F16 N8 S20 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0543","0.0352","","","0.0637","0.0696","","","","","","1.038","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245993","16.6597","0.0009","9.1073","0.0004","10.5974","0.0006","90","","94.571","0.005","90","","1602.78","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Tong, Zhou; Peng, Xinju; Tang, Zhi; Yang, Weijun; Deng, Wei; Yin, Shuang-Feng; Kambe, Nobuaki; Qiu, Renhua","DTBP-mediated cross-dehydrogenative coupling of 3-aryl benzofuran-2(3H)-ones with toluenes/phenols for all-carbon quaternary centers","RSC Advances","2022","12","54","35215","35220","10.1039/D2RA06231C","","x-ray","0.71073","MoKα","","0.0331","0.0322","","","0.075","0.0758","","","","","","1.059","","","","has coordinates","279830","2022-12-10","02:02:40",""
"7246022","23.8272","0.0003","14.5493","0.0002","16.0514","0.0002","90","","125.095","0.001","90","","4552.89","0.12","170","0.11","170","0.11","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H47 Cl4 Co F2 N3 -","- C52 H47 Cl4 Co F2 N3 -","- C208 H188 Cl16 Co4 F8 N12 -","4","1","","Li, Zilong; Ma, Yanping; Liu, Tian; Zhang, Qiuyue; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Exploring fluoride effects in sterically enhanced cobalt ethylene polymerisation catalysts; a combined experimental and DFT study.","RSC advances","2022","13","1","14","24","10.1039/d2ra05806e","","x-ray","1.54178","CuKα","","0.0523","0.0509","","","0.1403","0.1416","","","","","","1.041","","","","has coordinates","281615","2023-03-04","18:49:08",""
"7246023","24.2166","0.0003","14.6821","0.0002","16.4823","0.0002","90","","127.049","0.001","90","","4677.22","0.12","169.97","0.11","169.97","0.11","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H49 Cl4 Co F2 N3 -","- C53 H49 Cl4 Co F2 N3 -","- C212 H196 Cl16 Co4 F8 N12 -","4","1","","Li, Zilong; Ma, Yanping; Liu, Tian; Zhang, Qiuyue; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Exploring fluoride effects in sterically enhanced cobalt ethylene polymerisation catalysts; a combined experimental and DFT study.","RSC advances","2022","13","1","14","24","10.1039/d2ra05806e","","x-ray","1.54178","CuKα","","0.0389","0.0379","","","0.1039","0.1046","","","","","","1.027","","","","has coordinates","281615","2023-03-04","18:49:08",""
"7246217","6.6561","0.0007","11.5249","0.0015","6.6579","0.0006","90","","109.515","0.008","90","","481.39","0.09","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cu2 S3 Sn -","- Cu2 S3 Sn -","- Cu8 S12 Sn4 -","4","1","","Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Boullay, P.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Prestipino, C.; Menut, D.; Candolfi, C.; Malaman, B.; Juraszek, J.; Guilmeau, E.","'Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu-Sn-S diagram'","Journal of Materials Chemistry A","2021","9","17","10812","10826","10.1039/d1ta01615f","powder diffraction","","0.72733","MARSbeamline,SOLEIL","","","","","","","","","0.3321","","","","","","","","has coordinates","280692","2023-01-31","09:08:14",""
"7246228","26.15106","0.0009","5.62505","0.00016","16.88572","0.0004","90","","46.3627","0.0019","90","","1797.66","0.11","","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Fenbendazole - Oxalic acid","","- C17 H15 N3 O6 S -","- C17 H15 N3 O6 S -","- C68 H60 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.5","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246393","13.9393","0.0003","12.5328","0.0002","7.4066","0.0001","90","","96.018","0.002","90","","1286.79","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H12 O4 S2 -","- C14 H12 O4 S2 -","- C56 H48 O16 S8 -","4","1","","Li, Chengpeng; Kiefel, Milton J.","Facile dione protection to benzo[1,2-<i>b</i>:6,5-<i>b</i>']dithiophene-4,5-dione (BDTD) in triggering ultraviolet emission - A new member of the emissive 3,3'-bridged dithiophenes.","RSC advances","2023","13","7","4713","4720","10.1039/d2ra07492c","","x-ray","0.71073","MoKα","","0.0302","0.0287","","","0.0732","0.0748","","","","","","1.045","","","","has coordinates","281305","2023-03-04","16:31:05",""
"7246424","9.4797","0.001","15.7695","0.0016","6.796","0.0008","90","","94.474","0.004","90","","1012.84","0.19","273.15","","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","C4H11CdCl4N","","- C4 H11 Cd Cl4 N -","- C4 H11 Cd Cl4 N -","- C16 H44 Cd4 Cl16 N4 -","4","1","","Shen, Chuanying; Liu, Jie; Wu, Kui; Xu, Longyun; Sun, Defu; Dang, Yangyang; Wang, Jiyang; Wang, Duanliang","High stability and moderate second-order nonlinear optical properties of hybrid lead-free perovskite [(CH3)3NCH2Cl]CdCl3 bulk crystals","CrystEngComm","2023","25","15","2264","2270","10.1039/D3CE00145H","","","0.71073","MoKα","","0.0223","0.018","","","0.0387","0.0401","","","","","","1.07","","","","has coordinates","283211","2023-05-05","01:25:41",""
"7246460","12.9563","0.0011","8.0625","0.0004","14.0076","0.0017","90","","106.127","0.008","90","","1405.7","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H13 Cl3 Co N4 -","- C10 H13 Cl3 Co N4 -","- C40 H52 Cl12 Co4 N16 -","4","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.0275","0.0264","","","0.0684","0.069","","","","","","1.048","","","","has coordinates","281927","2023-03-17","02:29:53",""
"7246522","4.881","0.0002","36.8398","0.0013","8.6324","0.0003","90","","104.518","0.004","90","","1502.67","0.1","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0768","0.0605","","","0.1584","0.1772","","","","","","1.073","","","","has coordinates","283201","2023-05-05","01:19:38",""
"7246529","17.0057","0.0019","47.058","0.004","35.948","0.004","90","","96.993","0.004","90","","28554","5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C1216 H1344 N192 O192 S64 -","64","16","","Ahmad, Ishtiyaq; Ganie, Arshid A.; Ahmad, Shamim; Ahangar, Aadil A.; Reddy, C. Malla; Dar, Aijaz A.","A high Z′ structure of an organic salt with unusually high phase stability, nanoindentation, and mechano and vapo-fluorochromism","CrystEngComm","2023","25","21","3164","3170","10.1039/D2CE01693A","","","0.71073","MoKα","","0.0622","0.0439","","","0.1079","0.1163","","","","","","1.046","","","","has coordinates","284273","2023-06-05","04:28:23",""
"7246593","15.4741","0.0006","6.5845","0.0003","12.3744","0.0004","90","","106.701","0.003","90","","1207.63","0.08","180","","180","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H14 Ag I N2 -","- C8 H14 Ag I N2 -","- C32 H56 Ag4 I4 N8 -","4","1","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","","1.34143","GaKα","","0.0751","0.075","","","0.198","0.1985","","","","","","1.064","","","","has coordinates","282607","2023-04-12","01:22:57",""
"7246607","12.96","0.005","18.557","0.01","7.814","0.003","90","","120.687","0.009","90","","1616.1","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 Br2 N2 -","- C18 H14 Br2 N2 -","- C72 H56 Br8 N8 -","4","1","","Devi, Arpita; Bharali, Mrinmoy Manash; Biswas, Subir; Bora, Tonmoy J.; Nath, Jayanta K.; Lee, Seonghwan; Park, Young-Bin; Saikia, Lakshi; Baruah, Manash J.; Bania, Kusum K.","Utilization of methanol and ethanol for 3,3′-bis(indolyl)methane synthesis through activation of peroxymonosulfate over a copper catalyst","Green Chemistry","2023","25","9","3443","3448","10.1039/D3GC00440F","","","0.71073","MoKα","","0.1275","0.0529","","","0.0992","0.1278","","","","","","0.92","","","","has coordinates","284283","2023-06-05","04:36:32",""
"7246616","3.6672","0.0003","24.648","0.002","7.3252","0.0007","90","","98.28","0.003","90","","655.22","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H6 N8 O -","- C3 H6 N8 O -","- C12 H24 N32 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0489","0.0386","","","0.0821","0.0881","","","","","","1.063","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246684","14.0576","0.0005","11.0469","0.0003","15.0431","0.0006","90","","111.343","0.002","90","","2175.87","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-fluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H30 F N3 O8 -","- C18 H30 F N3 O8 -","- C72 H120 F4 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0472","0.0346","","","0.08","0.0874","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246691","13.7751","0.001","11.1808","0.0006","14.7876","0.0011","90","","109.477","0.003","90","","2147.2","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4-diaminenitrobenzene 18-crown-6 1:1 cocrystal","","- C18 H31 N3 O8 -","- C18 H31 N3 O8 -","- C72 H124 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0458","0.0403","","","0.1076","0.115","","","","","","0.986","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246724","19.0162","0.0014","10.6017","0.0008","14.2508","0.0011","90","","111.154","0.003","90","","2679.4","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H10 Cl2 I8 N2 Te -","- C10 H10 Cl2 I8 N2 Te -","- C40 H40 Cl8 I32 N8 Te4 -","4","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0434","0.0348","","","0.0507","0.0528","","","","","","1.036","","","","has coordinates","282977","2023-05-04","01:19:20",""
"7246746","5.7579","0.0008","19.399","0.003","27.176","0.003","90","","90.64","0.012","90","","3035.3","0.7","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H38 N2 O12 -","- C30 H38 N2 O12 -","- C120 H152 N8 O48 -","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","","0.1125","0.0819","","","0.1907","0.2203","","","","","","1.099","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246761","15.7967","0.0003","11.6889","0.0002","9.4813","0.0002","90","","97.276","0.002","90","","1736.59","0.06","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ï?1/2hiral trans(+)N,N'-bis-(salicylidene)-1,2-diaminocyclohexane Schif base","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Lakhani, Pratikkumar; Chodvadiya, Darshil; Jha, Prafulla K.; Gupta, Vivek Kumar; Trzybiński, Damian; Wozniak, Krzysztof; Kurzydłowski, Krzysztof; Goutam, U. K.; Srivastava, Himanshu; Modi, Chetan K.","DFT stimulation and experimental insights of chiral Cu(II)-salen scaffold within the pocket of MWW-zeolite and its catalytic study.","Physical chemistry chemical physics : PCCP","2023","25","20","14374","14386","10.1039/d3cp00857f","","x-ray","1.54184","CuKα","","0.0317","0.0311","","","0.0767","0.0773","","","","","","1.037","","","","has coordinates","284341","2023-06-05","05:00:58",""
"7246892","11.976","0.004","9.343","0.003","21.923","0.007","90","","97.91","0.005","90","","2429.7","1.4","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H29 Cl N4 O6 Zn -","- C22 H16 Cl N3 O3 Zn -","- C88 H64 Cl4 N12 O12 Zn4 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.056","0.0468","","","0.1002","0.1034","","","","","","1.0203","","","","has coordinates","286082","2023-09-05","19:32:43",""
"7246896","16.2967","0.0005","6.5799","0.0003","11.8991","0.0005","90","","126.545","0.003","90","","1025.08","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H8 B9 I N2 -","- C H8 B9 I N2 -","- C4 H32 B36 I4 N8 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.041","0.0345","","","0.0834","0.087","","","","","","1.083","","","","has coordinates","286112","2023-09-05","19:41:31",""
"7246906","12.4106","0.0007","17.241","0.0009","23.5189","0.0014","90","","102.782","0.002","90","","4907.7","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 N6 Ni O23 U2 -","- C40 H44 N6 Ni O23 U2 -","- C160 H176 N24 Ni4 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0373","0.0364","","","0.0927","0.0934","","","","","","1.069","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246908","12.4847","0.0007","17.0888","0.0011","23.5455","0.0016","90","","103.131","0.002","90","","4892.1","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 Cu N6 O23 U2 -","- C40 H44 Cu N6 O23 U2 -","- C160 H176 Cu4 N24 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0296","0.0292","","","0.0704","0.0706","","","","","","1.044","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246923","13.2718","0.0001","9.2515","0.0001","27.958","0.0002","90","","90.371","0.001","90","","3432.72","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","monoclinic","","- C40 H43 N3 O7 Zn -","- C40 H43 N3 O7 Zn -","- C160 H172 N12 O28 Zn4 -","4","1","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","x-ray","1.54178","CuKα","","0.0295","0.0294","","","0.0793","0.0793","","","","","","1.063","","","","has coordinates","286093","2023-09-05","19:36:45",""
"7246997","9.5399","0.0011","8.8744","0.0011","10.5124","0.0014","90","","116.97","0.005","90","","793.2","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H2 N6 O6 -","- C3 H2 N6 O6 -","- C12 H8 N24 O24 -","4","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.0408","0.0306","","","0.064","0.0672","","","","","","1.071","","","","has coordinates","285532","2023-08-05","09:36:35",""
"7247168","15.5029","0.0003","19.537","0.0004","22.8054","0.0004","90","","102.773","0.002","90","","6736.4","0.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","2,3,5,6-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C70 H50 F8 I4 N4 O4 Sn -","- C70 H50 F8 I4 N4 O4 Sn -","- C280 H200 F32 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.04","0.0349","","","0.098","0.1019","","","","","","1.045","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247204","18.9053","0.0006","8.2831","0.0002","20.9395","0.0005","90","","98.594","0.002","90","","3242.19","0.15","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C156 H128 N8 O28 -","4","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","1.54178","CuKα","","0.0604","0.0566","","","0.1742","0.1822","","","","","","1.127","","","","has coordinates","286734","2023-10-06","00:04:57",""
"7247241","13.9994","0.001","19.0666","0.0015","6.7719","0.0005","90","","95.207","0.007","90","","1800.1","0.2","199.98","0.1","199.98","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H11 F3 N4 O4 Pt S -","- C17 H11 F3 N4 O4 Pt S -","- C68 H44 F12 N16 O16 Pt4 S4 -","4","1","","Li, Depeng; Guan, Qingqing; Hu, Xiaoyun; Su, Yuhong; Su, Zhen","Reversible and irreversible stimuli-responsive chromism of a square-planar platinum(ii) salt","RSC Advances","2023","13","36","24878","24886","10.1039/D3RA03554A","","x-ray","1.54178","CuKα","","0.0341","0.0332","","","0.0872","0.0873","","","","","","1.156","","","","has coordinates","285846","2023-08-23","01:17:37",""
"7247441","11.5519","0.0005","21.2965","0.0011","9.1698","0.0005","90","","128.825","0.0015","90","","1757.5","0.16","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Preeti,; Raza, Asif; Anand, Amit; Henry, Natacha; Sharma, Arun K.; Roussel, Pascal; Kumar, Vipan","Stereo/regio-selective access to substituted 3-hydroxy-oxindoles with anti-proliferative assessment and in silico validation","RSC Advances","2023","13","41","28434","28443","10.1039/D3RA05869G","","x-ray","0.71073","MoKα","","0.0515","0.0419","","","0.1003","0.1056","","","","","","1.039","","","","has coordinates","286571","2023-09-28","01:00:55",""
"7247459","14.414","0.003","10.48","0.002","7.74","0.0015","90","","105.64","0.03","90","","1125.9","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H10 Mn N4 O6 -","- C9 H10 Mn N4 O6 -","- C36 H40 Mn4 N16 O24 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","Synchrotron","","0.0722","0.0645","","","0.1695","0.1761","","","","","","1.093","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247566","22.3092","0.0014","7.1387","0.0005","7.1638","0.0005","90","","98.471","0.002","90","","1128.45","0.13","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As Br2 La3 S5 -","- As Br2 La3 S5 -","- As4 Br8 La12 S20 -","4","1","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0444","0.0444","","","0.1058","0.1058","","","","","","0.832","","","","has coordinates","288811","2024-01-06","08:06:43",""
"7247668","19.689","0.005","3.6236","0.0009","11.631","0.003","90","","102.953","0.003","90","","808.7","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Cl Cu2 N5 -","- C6 H4 Cl Cu2 N5 -","- C24 H16 Cl4 Cu8 N20 -","4","1","","Lu, Kuang-Lieh; Sie, Shu-Ling; Kamal, Surabhi; Zong-Zhan, Lu; Wei, Ling-Fang; Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chang, Chao-Wan; Chi, Kai-Ming","Fine-tuning synthesis of a novel CuI/CuII mixed-valence coordination polymer","CrystEngComm","2023","","","","","10.1039/D3CE01001E","","","0.71073","MoKα","","0.0305","0.024","","","0.0655","0.1018","","","","","","1.069","","","","has coordinates","287262","2023-11-04","23:58:13",""
"7247692","19.5713","0.0011","7.6509","0.0008","14.6982","0.0009","90","","127.661","0.002","90","","1742.3","0.2","298.4","","298.4","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C9 N15 O18 -","- C9 N15 O18 -","- C36 N60 O72 -","4","1","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0458","0.0399","","","0.1013","0.1053","","","","","","1.069","","","","has coordinates","288906","2024-01-06","09:54:30",""
"7247694","19.3994","0.0012","7.5957","0.0008","14.5289","0.0016","90","","127.637","0.003","90","","1695.3","0.3","298.4","","298.4","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H0.25 N15 O18 -","- C9 N15 O18 -","- C36 N60 O72 -","4","1","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0412","0.0368","","","0.0993","0.1025","","","","","","1.089","","","","has coordinates","288906","2024-01-06","09:54:43",""
"7247695","19.319","0.002","7.5668","0.0013","14.458","0.003","90","","127.623","0.005","90","","1674","0.5","287.2","","287.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 N30 O36 -","- C18 N30 O36 -","- C36 N60 O72 -","2","0.5","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0522","0.0416","","","0.1072","0.1137","","","","","","1.017","","","","has coordinates","288906","2024-01-06","09:54:54",""
"7248005","43.551","0.0012","4.45154","0.00019","11.3608","0.0004","90","","90.067","0.003","90","","2202.51","0.14","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 F6 I2 -","- C10 F6 I2 -","- C80 F48 I16 -","8","2","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","x-ray","0.71073","MoKα","","0.1114","0.0956","","","0.2158","0.2243","","","","","","1.167","","","","has coordinates,has disorder","290145","2024-03-04","20:07:41",""
"7248022","17.513","0.004","14.247","0.003","14.249","0.003","90","","112.7","0.03","90","","3279.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 N6 O11 Zn -","- C33 H34 N6 O11 Zn -","- C132 H136 N24 O44 Zn4 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.037","0.0332","","","0.0841","0.0853","","","","","","1.077","","","","has coordinates","290148","2024-03-04","20:08:08",""
"7248026","17.551","0.004","14.217","0.003","14.235","0.003","90","","112.49","0.03","90","","3281.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 Co N6 O11 -","- C33 H34 Co N6 O11 -","- C132 H136 Co4 N24 O44 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.1329","0.0631","","","0.1092","0.1256","","","","","","0.851","","","","has coordinates","290148","2024-03-04","20:08:17",""
"7248192","13.0318","0.0013","7.7973","0.0008","9.8712","0.001","90","","106.032","0.003","90","","964.03","0.17","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H8 N8 O6 -","- C3 H8 N8 O6 -","- C12 H32 N32 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0754","0.074","","","0.1912","0.1944","","","","","","1.081","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248313","22.8417","0.0004","5.94667","0.00013","10.39189","0.00016","90","","96.6449","0.0016","90","","1402.07","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48 H96 O16 S4 -","- C48 H96 O16 S4 -","- C48 H96 O16 S4 -","1","0.25","","Soto-Suárez, Fátima M; Rojo-Portillo, Tania; Huerta, Eduardo H.; Aguilera-Cruz, Alejandro; Tapia-Bárcenas, Alberto; Contreras-Cruz, David Atahualpa; Toscano, Rubén A; Quiróz-García, Beatriz; Rojas-Aguilar, Aaron; Cortés-Guzmán, Fernando; Bacsa, John; Ramírez-Gualito, Karla; Barquera-Lozada, José Enrique; Cuevas, Gabriel","Stereoelectronic interactions are too weak to explain the molecular conformation in solid state of <i>cis</i>-2-<i>tert</i>-butyl-5-(<i>tert</i>-butylsulfonyl)-1,3-dioxane.","Physical chemistry chemical physics : PCCP","2024","26","13","10021","10028","10.1039/d3cp04914k","","x-ray","0.71073","MoKα","","0.0368","0.0238","","","0.0374","0.0405","","","","","","1.0177","","","","has coordinates","291064","2024-04-05","00:16:58",""
"7700087","13.6626","0.0003","22.0555","0.0005","12.6148","0.0003","90","","92.166","0.002","90","","3798.57","0.15","93","2","93","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H48 Au Cl3 F Ge P -","- C38 H48 Au Cl3 F Ge P -","- C152 H192 Au4 Cl12 F4 Ge4 P4 -","4","1","","Hidalgo, Nereida; Bajo, Sonia; Moreno, Juan José; Navarro-Gilabert, Carlos; Mercado, Brandon Q.; Campos, Jesús","Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium and tin dihalides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9127","9138","10.1039/c9dt00702d","","","1.54184","CuKα","","0.0222","0.0204","","","0.0457","0.0464","","","","","","1.029","","","","has coordinates,has disorder","224212","2020-10-21","18:00:00",""
"7700195","31.5437","0.0019","5.6122","0.0003","12.7289","0.0008","90","","90.7346","0.0012","90","","2253.2","0.2","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi I4 Na O12 -","- Bi I4 Na O12 -","- Bi8 I32 Na8 O96 -","8","2","","Jia, Ying-Jie; Chen, Yi-Gang; Wang, Ting; Guo, Yao; Guan, Xiao-Fang; Zhang, Xian-Ming","KBi(IO<sub>3</sub>)<sub>3</sub>(OH) and NaBi(IO<sub>3</sub>)<sub>4</sub>: from the centrosymmetric chain to a noncentrosymmetric double layer.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10320","10326","10.1039/c9dt01573f","","","0.71073","MoKα","","0.0204","0.0204","","","0.0511","0.0511","","","","","","1.094","","","","has coordinates","223860","2020-10-21","18:00:00",""
"7700258","20.6173","0.0007","40.52","0.001","13.1075","0.0003","90","","99.327","0.003","90","","10805.4","0.5","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H90 B60 Cl18 N12 O7 S6 -","- C35.996 H89.996 B60 Cl17.988 N12 O7 S6 -","- C143.984 H359.984 B240 Cl71.952 N48 O28 S24 -","4","1","","Kellert, Martin; Worm, Dennis J.; Hoppenz, Paul; Sárosi, Menyhárt B; Lönnecke, Peter; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Modular triazine-based carborane-containing carboxylic acids - synthesis and characterisation of potential boron neutron capture therapy agents made of readily accessible building blocks.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10834","10844","10.1039/c9dt02130b","","","0.71073","MoKα","","0.1082","0.08","","","0.2086","0.2332","","","","","","1.024","","","","has coordinates,has disorder","223746","2020-10-21","18:00:00",""
"7700303","10.541","0.001","39.489","0.002","17.598","0.001","90","","104.51","0.01","90","","7091.6","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H35 Cl3 O0.5 P2 Sb -","- C39 H35 Cl3 O0.5 P2 Sb -","- C312 H280 Cl24 O4 P16 Sb8 -","8","2","","Münzer, Jörn E; Kneusels, Nis-Julian H; Weinert, Bastian; Neumüller, Bernhard; Kuzu, Istemi","Hexaphenyl carbodiphosphorane adducts of heavier group 15 element trichlorides: syntheses, properties and reactivities.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11076","11085","10.1039/c9dt01784d","","","0.71073","MoKα","","0.0727","0.048","","","0.0854","0.0917","","","","","","0.891","","","","has coordinates","223761","2020-10-21","18:00:00",""
"7700461","20.9813","0.0008","10.3997","0.0004","14.4831","0.0005","90","","117.8","0.001","90","","2795.46","0.18","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","[(Chlorido)(1,3-dioxo-kO1-1,3-dihydro-2H-inden-2-ylidene)((2-(naphthalen-1-yl)ethyl)amino)methanolato-kO2)](c6-p-cymene)ruthenium(II)","","- C32 H31.33 Cl N O3.67 Ru -","- C32 H31.3332 Cl N O3.6666 Ru -","- C128 H125.333 Cl4 N4 O14.6664 Ru4 -","4","1","","Hager, Laura A.; Mokesch, Stephan; Kieler, Claudia; Alonso-de Castro, Silvia; Baier, Dina; Roller, Alexander; Kandioller, Wolfgang; Keppler, Bernhard K.; Berger, Walter; Salassa, Luca; Terenzi, Alessio","Ruthenium-arene complexes bearing naphthyl-substituted 1,3-dioxoindan-2-carboxamides ligands for G-quadruplex DNA recognition.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12040","12049","10.1039/c9dt02078k","","x-ray","0.71073","MoKα","","0.0157","0.0155","","","0.0389","0.039","","","","","","1.065","","","","has coordinates,has disorder","223910","2020-10-21","18:00:00",""
"7700713","16.6423","0.0005","9.0277","0.0003","16.9746","0.0005","90","","115.658","0.001","90","","2298.82","0.12","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B3 I3 O13 Pb10 -","- B3 I3 O13 Pb10 -","- B12 I12 O52 Pb40 -","4","1","","Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng","Pb<sub>10</sub>O<sub>4</sub>(BO<sub>3</sub>)<sub>3</sub>I<sub>3</sub>: a new noncentrosymmetric oxyborate iodide synthesized by the straightforward hydrothermal method.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14996","15001","10.1039/c9dt02579k","","","0.71073","MoKα","","0.0261","0.0247","","","0.0553","0.0559","","","","","","1.043","","","","has coordinates","224243","2020-10-21","18:00:00",""
"7701395","20.7935","0.0002","15.08451","0.00015","20.4019","0.0002","90","","100.268","0.0011","90","","6296.78","0.11","119.97","0.1","119.97","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H85 In N8 O Si2 Zn -","- C63 H85 In N8 O Si2 Zn -","- C252 H340 In4 N32 O4 Si8 Zn4 -","4","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.0259","0.0254","","","0.0637","0.0641","","","","","","1.025","","","","has coordinates","219446","2020-10-21","18:00:00",""
"7701397","26.7677","0.0005","12.29108","0.00017","24.7771","0.0004","90","","111.674","0.002","90","","7575.4","0.2","119.99","0.1","119.99","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C76 H105 In N10 O Si2 Zn -","- C76 H105 In N10 O Si2 Zn -","- C304 H420 In4 N40 O4 Si8 Zn4 -","4","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.0526","0.0511","","","0.1358","0.1374","","","","","","1.044","","","","has coordinates,has disorder","219446","2020-10-21","18:00:00",""
"7701404","22.671","0.002","11.9085","0.001","17.1759","0.0017","90","","111.469","0.003","90","","4315.4","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","(18-crown-6)bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienyl)manganese(I)","(18-crown-6)bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienyl)manganese(I)","","- C40 H70 K Mn O8 -","- C40 H70 K Mn O8 -","- C160 H280 K4 Mn4 O32 -","4","1","","Malischewski, Moritz; Seppelt, Konrad","Structural Characterization of Potassium Salts of the Decamethylmanganocene Anion Cp*2Mn-","Dalton Transactions","2019","","","","","10.1039/C9DT03551F","","","0.71073","MoKα","","0.0393","0.0288","","","0.0666","0.0718","","","","","","1.049","","","","has coordinates","219459","2020-10-21","18:00:00",""
"7701427","23.111","0.007","17.662","0.006","18.343","0.005","90","","127.106","0.004","90","","5971","3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C72 H48 Fe2 O15 -","- C72 H48 Fe2 O15 -","- C288 H192 Fe8 O60 -","4","1","","Aromi, Guillem; Darawsheh, Mohanad; Diego, Rosa; Barrios, Leoní Alejandra; Sadurní, Anna; Garcia Gomez, Jordi; Lloyd, Paul; Teat, Simon; Roubeau, Olivier; Aguilà, David","Designed Asymmetric Coordination Helicates with bis-β-diketonate Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03398J","","","0.7749","synchrotron","","0.1171","0.0898","","","0.2225","0.2401","","","","","","1.059","","","","has coordinates,has disorder","219476","2020-10-21","18:00:00",""
"7701428","23.064","0.003","17.699","0.002","18.156","0.004","90","","127.401","0.009","90","","5887.7","1.8","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C72 H48 Ga2 O15 -","- C72 H48 Ga2 O15 -","- C288 H192 Ga8 O60 -","4","1","","Aromi, Guillem; Darawsheh, Mohanad; Diego, Rosa; Barrios, Leoní Alejandra; Sadurní, Anna; Garcia Gomez, Jordi; Lloyd, Paul; Teat, Simon; Roubeau, Olivier; Aguilà, David","Designed Asymmetric Coordination Helicates with bis-β-diketonate Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03398J","","","0.71073","MoKα","","0.1315","0.0927","","","0.2169","0.2399","","","","","","1.124","","","","has coordinates,has disorder","219476","2020-10-21","18:00:00",""
"7701746","17.7432","0.0009","10.6409","0.0006","17.8551","0.001","90","","96.996","0.002","90","","3346","0.3","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H21 F N Sb -","- C18 H21 F N Sb -","- C144 H168 F8 N8 Sb8 -","8","2","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","","0.71073","MoKα","","0.0421","0.0419","","","0.1202","0.1205","","","","","","1.079","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701839","16.8528","0.0002","16.7026","0.0002","21.595","0.0002","90","","100.309","0.001","90","","5980.55","0.12","149.99","0.1","149.99","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","tBu-PBP-Pd-NCSe","","- C25 H44 B N3 P2 Pd Se -","- C25 H44 B N3 P2 Pd Se -","- C200 H352 B8 N24 P16 Pd8 Se8 -","8","2","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0355","0.0349","","","0.0971","0.0979","","","","","","1.062","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701854","20.7451","0.0002","9.9817","0.0001","17.2999","0.0002","90","","97.229","0.001","90","","3553.84","0.06","110","0.1","110","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H34 F9 P3 Ru -","- C39 H34 F9 P3 Ru -","- C156 H136 F36 P12 Ru4 -","4","1","","Hall, Lewis; Milner, Lucy; Hart, Sam; Whitwood, Adrian Charles; Lynam, Jason Martin; Slattery, John M.","Solvent- and anion-dependent rearrangement of fluorinated carbene ligands provides access to fluorinated alkenes","Dalton Transactions","2019","","","","","10.1039/C9DT04307A","","x-ray","0.71073","MoKα","","0.0198","0.0191","","","0.0451","0.0455","","","","","","1.033","","","","has coordinates","225406","2020-10-21","18:00:00",""
"7701901","21.3934","0.0011","21.7926","0.0011","11.626","0.0006","90","","115.314","0.003","90","","4899.8","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H43 Cl2 Mn2 N12 O11 -","- C46 H43 Cl2 Mn2 N12 O11 -","- C184 H172 Cl8 Mn8 N48 O44 -","4","1","","Magherusan, Adriana M.; Nelis, Daniel N.; Twamley, Brendan; McDonald, Aidan R.","Catechol oxidase activity of comparable dimanganese and dicopper complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15555","15564","10.1039/c8dt01378k","","x-ray","0.71073","MoKα","","0.0977","0.0766","","","0.1598","0.1703","","","","","","1.12","","","","has coordinates,has disorder","227803","2020-10-21","18:00:00",""
"7701903","20.4647","0.0008","21.8424","0.0008","11.5893","0.0004","90","","111.258","0.001","90","","4827.9","0.3","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C45 H42.5 Cl2 Cu2 N11.5 O11 -","- C45 H42.5 Cl2 Cu2 N11.5 O11 -","- C180 H170 Cl8 Cu8 N46 O44 -","4","1","","Magherusan, Adriana M.; Nelis, Daniel N.; Twamley, Brendan; McDonald, Aidan R.","Catechol oxidase activity of comparable dimanganese and dicopper complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15555","15564","10.1039/c8dt01378k","","x-ray","0.71073","MoKα","","0.0487","0.0427","","","0.1082","0.1123","","","","","","1.059","","","","has coordinates,has disorder","227803","2020-10-21","18:00:00",""
"7702120","10.5603","0.0005","26.9574","0.0012","9.0101","0.0004","90","","97.611","0.003","90","","2542.4","0.2","100","2","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H33 B18 Co2 N -","- C16 H33 B18 Co2 N -","- C64 H132 B72 Co8 N4 -","4","1","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","","0.71073","MoKα","","0.0421","0.0352","","","0.0633","0.0656","","","","","","0.984","","","","has coordinates","234765","2020-10-21","18:00:00",""
"7702291","8.6391","0.001","17.165","0.002","10.4638","0.0013","90","","114.307","0.002","90","","1414.1","0.3","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H8 Cu N8 -","- C14 H8 Cu N8 -","- C56 H32 Cu4 N32 -","4","1","","Brita Vangdal; Jose Carranza; Francesc Lloret; Miguel Julve; Jorunn Sletten","Syntheses, crystal structures and magnetic properties of copper(ii) dicyanamide complexes; dinuclear, chain and ladder compounds","Journal of the Chemical Society, Dalton Transactions","2002","","","566","574","10.1039/B105981P","","","0.71073","MoK\α","","0.0247","0.022","","0.0545","0.0537","","","","1.014","1.043","1.043","","","","","has coordinates","243817","2020-10-21","18:00:00",""
"7702327","17.435","0.009","3.855","0.002","11.159","0.006","90","","107.55","0.02","90","","715.1","0.7","270","2","270","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H5 Cu N2 S -","- C6 H5 Cu N2 S -","- C24 H20 Cu4 N8 S4 -","4","1","","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","","0.0528","0.0396","","0.1123","0.104","","","","1.046","1.072","1.072","","","","","has coordinates","243827","2020-10-21","18:00:00",""
"7702442","22.1485","0.0003","18.7892","0.0003","21.4865","0.0002","90","","118.593","0.001","90","","7851.15","0.19","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","(Ru(H2dcbpy))Cl2.2 3/4H2O","","","- C36 H29.5 Cl2 N6 O14.75 Ru -","- C36 H29.5 Cl2 N6 O14.75 Ru -","- C288 H236 Cl16 N48 O118 Ru8 -","8","2","","Eskelinen, Esa; Luukkanen, Saija; Haukka, Matti; Ahlgrén, Markku; Pakkanen, Tapani A.","Redox and photochemical behaviour of ruthenium(II) complexes with H2dcbpy ligand (H2dcbpy = 2,2′-bipyridine-4,4′-dicarboxylic acid)","Journal of the Chemical Society, Dalton Transactions","2000","","16","2745","","10.1039/b004751l","","","0.71073","MoKα","","0.0265","0.0249","","","0.0624","0.0634","","","","","","1.041","","","","has coordinates","243868","2020-10-21","18:00:00",""
"7702515","22.0658","0.001","17.1093","0.0008","29.2595","0.0009","90","","105.651","0.002","90","","10636.8","0.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","99002","","","- C41 H80 O12 Si8 -","- C40.994 H60.5 O12 Si8 -","- C327.952 H484 O96 Si64 -","8","2","","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","","0.173","0.0758","","","0.169","0.2153","","","","","","0.969","","","","has coordinates,has disorder","243888","2020-10-21","18:00:00",""
"7702591","20.307","0.006","10.905","0.005","15.256","0.007","90","","130.49","0.02","90","","2569","2","150","","150","","","","","","","","?","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Cl N P Pd -","- C29 H29 Cl N P Pd -","- C116 H116 Cl4 N4 P4 Pd4 -","4","1","","Coleman, Karl S.; Green, Malcolm L. H.; Pascu, Sofia I.; Rees, Nicholas H.; Cowley, A. R.; Rees, Leigh H.","Palladium(ii) complexes with the bidentate iminophosphine ligand [Ph2PCH2C(Ph)N(2,6-Me2C6H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","22","3384","","10.1039/b102476k","","","0.71073","MoKα","","","0.0308","","","","0.0161","","","","","","0.9959","","","","has coordinates","243915","2020-10-21","18:00:00",""
"7702753","9.056","0.001","19.258","0.002","21.842","0.003","90","","96.75","0.009","90","","3782.9","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","hexaaquatris(cholranilato)discandium(III) hydrate","","- C18 H32 Cl6 O28 Sc2 -","- C18 Cl6 O28 Sc2 -","- C72 Cl24 O112 Sc8 -","4","1","","Abrahams, Brendan F.; Coleiro, Joseph; Ha, Karen; Hoskins, Bernard F.; Orchard, Simon D.; Robson, Richard","Dihydroxybenzoquinone and chloranilic acid derivatives of rare earth metals","Journal of the Chemical Society, Dalton Transactions","2002","","8","1586","","10.1039/b109296k","","","0.71069","MoKα","","0.0879","0.056","","","0.128","0.1443","","","","","","1.035","","","","has coordinates","243998","2020-10-21","18:00:00",""
"7702799","6.4219","0.0002","25.7274","0.0008","8.3971","0.0003","90","","106.951","0.0011","90","","1327.09","0.08","120","0.1","120","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H12 Cl4 S2 Zr -","- C4 H12 Cl4 S2 Zr -","- C16 H48 Cl16 S8 Zr4 -","4","1","","Hart, Richard; Levason, William; Patel, Bhavesh; Reid, Gillian","Synthesis, properties and crystal structures of 6-, 7- and 8-coordinate Zr(iv) and Hf(iv) complexes involving thioether and selenoether ligands","Journal of the Chemical Society, Dalton Transactions","2002","","16","3153","","10.1039/b201080c","","","0.71073","MoKα","","0.0429","0.043","","0.063","","0.063","","","2.306","","","2.31","","","","has coordinates","244018","2020-10-21","18:00:00",""
"7702938","25.3322","0.0019","8.831","0.0007","25.293","0.003","90","","118.825","0.002","90","","4957.2","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","compound 1","","","- C29 H22 N3 O30 U5 -","- C29 H34 N3 O30 U5 -","- C116 H136 N12 O120 U20 -","4","1","","Zhang, Yugang; Chen, Lanhua; Guan, Jingwen; Wang, Xia; Wang, Shuao; Diwu, Juan","A unique uranyl framework containing uranyl pentamers as secondary building units: synthesis, structure, and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3676","3679","10.1039/c9dt03871j","","","0.71073","MoKα","","0.0373","0.0333","","","0.0803","0.0825","","","","","","1.034","","","","has coordinates","250312","2020-10-21","18:00:00",""
"7703035","16.7505","0.0007","16.1364","0.0008","18.143","0.0008","90","","98.797","0.005","90","","4846.2","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C55 H64 N2 O P2 -","- C55 H64 N2 O P2 -","- C220 H256 N8 O4 P8 -","4","1","","Dhara, Debabrata; Das, Shubhajit; Kalita, Pankaj; Maiti, Avijit; Pati, Swapan K.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of N-heterocyclic carbenes (NHCs) on the hydrolysis of a diphosphene.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","993","997","10.1039/c9dt04690a","","","0.71073","MoKα","","0.0491","0.0374","","","0.0805","0.0837","","","","","","1.046","","","","has coordinates","247720","2020-10-21","18:00:00",""
"7703078","9.425","0.002","37.074","0.009","8.102","0.002","90","","111.579","0.003","90","","2632.6","1.1","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H41 Al N2 -","- C27 H41 Al N2 -","- C108 H164 Al4 N8 -","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","","0.0426","0.0396","","","0.1134","0.1163","","","","","","1.023","","","","has coordinates","248939","2020-10-21","18:00:00",""
"7703175","7.312","0.003","12.672","0.005","11.528","0.004","90","","98.869","0.005","90","","1055.4","0.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cd Ge2 Na2 S6 -","- Cd Ge2 Na2 S6 -","- Cd4 Ge8 Na8 S24 -","4","1","","Li, Guang-Mao; Chu, Yu; Li, Jun; Zhou, Zhong-Xiang","Li<sub>2</sub>CdSiS<sub>4</sub>, a promising IR NLO material with a balanced E<sub>g</sub> and SHG response originating from the effect of Cd with d<sup>10</sup> configuration.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1975","1980","10.1039/c9dt04710g","","","0.71073","MoKα","","0.0266","0.0238","","","0.0449","0.0461","","","","","","0.983","","","","has coordinates","248947","2020-10-21","18:00:00",""
"7703442","8.7701","0.0007","21.7923","0.0015","15.5674","0.001","90","","99.426","0.007","90","","2935.1","0.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H36 Cl2 N8 O2 Ru S2 -","- C22 H36 Cl2 N8 O2 Ru S2 -","- C88 H144 Cl8 N32 O8 Ru4 S8 -","4","1","","Fandzloch, Marzena; Jaromin, Anna; Zaremba-Czogalla, Magdalena; Wojtczak, Andrzej; Lewińska, Agnieszka; Sitkowski, Jerzy; Wiśniewska, Joanna; Łakomska, Iwona; Gubernator, Jerzy","Nanoencapsulation of a ruthenium(ii) complex with triazolopyrimidine in liposomes as a tool for improving its anticancer activity against melanoma cell lines.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1207","1219","10.1039/c9dt03464a","","","0.71073","MoKα","","0.1098","0.0588","","","0.1206","0.1492","","","","","","1.012","","","","has coordinates,has disorder","247555","2020-10-21","18:00:00",""
"7703620","14.9044","0.0002","24.9178","0.0004","14.7954","0.0002","90","","99.887","0.001","90","","5413.18","0.14","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C212 H136 F48 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0249","0.0218","","","0.0511","0.0526","","","","","","1.027","","","","has coordinates,has disorder","251648","2020-10-21","18:00:00",""
"7704050","17.9244","0.0007","17.557","0.0007","15.988","0.0006","90","","102.194","0.002","90","","4917.9","0.3","150","2","150","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H37 Br4 F12 Fe N7 P2 -","- C44 H37 Br4 F12 Fe N7 P2 -","- C176 H148 Br16 F48 Fe4 N28 P8 -","4","1","","Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.","Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16175","16183","10.1039/d0dt00543f","","","0.71073","MoKα","","0.0541","0.0356","","","0.0547","0.059","","","","","","1.048","","","","has coordinates","260773","2021-01-07","06:26:47",""
"7704187","15.2772","0.0006","15.5914","0.0004","22.7448","0.0007","90","","106.623","0.004","90","","5191.2","0.3","120","0.1","120","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H82 Br3 Ho N12 O9 P4 -","- C24 H82 Br3 Ho N12 O9 P4 -","- C96 H328 Br12 Ho4 N48 O36 P16 -","4","1","","Li, Lei-Lei; Su, Hong-Dan; Liu, Shuang; Wang, Wen-Zhen","Enhancing the energy barrier by replacing the counterions in two holmium(iii)-pentagonal bipyramidal single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6703","6709","10.1039/d0dt00905a","","x-ray","0.71073","MoKα","","0.0521","0.042","","","0.0609","0.067","","","","","","0.984","","","","has coordinates,has disorder","252795","2020-10-21","18:00:00",""
"7704585","13.4737","0.0003","18.9348","0.0003","8.402","0.0002","90","","101.792","0.002","90","","2098.3","0.08","150","0.1","150","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-(hydroxybenzophenylidene))-N'-(naphthalidine)ethylenediaminenickel(II)","","- C26 H22 N2 Ni O4 -","- C26 H22 N2 Ni O4 -","- C104 H88 N8 Ni4 O16 -","4","1","","Pham, Son Q. T.; Richardson, Christopher; Kelso, Celine; Willis, Anthony C.; Ralph, Stephen F.","The effect of isomerism and other structural variations on the G-quadruplex DNA-binding properties of some nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10360","10379","10.1039/d0dt01370f","","x-ray","0.71073","MoKα","","0.0269","0.0256","","","0.0672","0.068","","","","","","1.062","","","","has coordinates","257532","2020-10-21","18:00:00",""
"7704595","26.7258","0.0008","8.8028","0.0003","18.4875","0.0006","90","","107.27","0.003","90","","4153.3","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H33 F10 N6 P Ru -","- C46 H33 F10 N6 P Ru -","- C184 H132 F40 N24 P4 Ru4 -","4","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","x-ray","0.71073","MoKα","","0.0373","0.0351","","","0.0872","0.0897","","","","","","1.041","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704840","9.7449","0.0002","13.8069","0.0004","16.946","0.0004","90","","95.441","0.002","90","","2269.76","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H27 Cl2 N Ni P2 -","- C22 H27 Cl2 N Ni P2 -","- C88 H108 Cl8 N4 Ni4 P8 -","4","1","","Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.","Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9957","9960","10.1039/d0dt02063j","","x-ray","0.71073","MoKα","","0.0278","0.0263","","","0.0556","0.0564","","","","","","1.032","","","","has coordinates","254948","2020-10-21","18:00:00",""
"7704848","21.731","0.007","12.688","0.004","15.533","0.005","90","","108.649","0.004","90","","4058","2","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","IrCo_1","","","- C37 H32 Cl7 Co Ir N2 O P2 -","- C37 H32 Cl7 Co Ir N2 O P2 -","- C148 H128 Cl28 Co4 Ir4 N8 O4 P8 -","4","1","","Cherepakhin, Valeriy; Hellman, Ashley; Lan, Zhenzhuo; Mallikarjun Sharada, Shaama; Williams, Travis J.","Heterobimetallic complexes of IrM (M = Fe<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>) core and bridging 2-(diphenylphosphino)pyridine: electronic structure and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10509","10515","10.1039/d0dt01801e","","","0.71073","MoKα","","0.0786","0.0594","","","0.1377","0.1536","","","","","","1.09","","","","has coordinates,has disorder","256084","2020-10-21","18:00:00",""
"7704868","24.514","0.002","10.5637","0.0009","15.9325","0.0014","90","","95.259","0.003","90","","4108.5","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H48 Cl Cu2 Mn N4 O12 -","- C40 H47 Cl Cu2 Mn N4 O12 -","- C160 H188 Cl4 Cu8 Mn4 N16 O48 -","4","1","","Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh","Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11268","11281","10.1039/d0dt00952k","","","0.71073","MoKα","","0.0558","0.0486","","","0.1192","0.1247","","","","","","1.019","","","","has coordinates,has disorder","256053","2020-10-21","18:00:00",""
"7704887","14.0953","0.0002","9.4611","0.0001","11.5348","0.0001","90","","105.609","0.001","90","","1481.52","0.03","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H21 Cl2 Ga N2 -","- C11 H21 Cl2 Ga N2 -","- C44 H84 Cl8 Ga4 N8 -","4","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0328","0.0328","","","0.0864","0.0864","","","","","","1.091","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704905","26.2727","0.0004","29.203","0.0004","29.141","0.0005","90","","100.881","0.002","90","","21956.2","0.6","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C58 H78 Ca N4 O Sn -","- C58 H78 Ca N4 O Sn -","- C928 H1248 Ca16 N64 O16 Sn16 -","16","4","","Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.","Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10523","10534","10.1039/d0dt02406f","","x-ray","1.54184","CuKα","","0.0766","0.0632","","","0.1589","0.173","","","","","","1.06","","","","has coordinates","257526","2020-10-21","18:00:00",""
"7705051","23.373","0.005","13.307","0.003","20.286","0.004","90","","96.19","0.03","90","","6273","2","293","2","293.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H75 N3 P3 Sc -","- C66 H75 N3 P3 Sc -","- C264 H300 N12 P12 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","","","0.71076","MoKα","","0.0679","0.0639","","","0.1681","0.1728","","","","","","1.039","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705053","23.6419","0.0017","13.4745","0.001","20.3693","0.0019","90","","96.253","0.004","90","","6450.3","0.9","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H75 Lu N3 P3 -","- C66 H75 Lu N3 P3 -","- C264 H300 Lu4 N12 P12 -","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","","0.067","0.0647","","","0.1458","0.1476","","","","","","1.104","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705058","23.614","0.005","13.421","0.003","20.275","0.004","90","","96.22","0.03","90","","6388","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H75 N3 P3 Yb -","- C66 H75 N3 P3 Yb -","- C264 H300 N12 P12 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","","","0.71076","MoKα","","0.0427","0.0421","","","0.1044","0.1047","","","","","","1.114","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705209","21.8546","0.0013","11.6516","0.0007","28.9714","0.0018","90","","104.839","0.003","90","","7131.3","0.8","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33.5 H43 Au Cl F6 N3 P2 -","- C33.5 H43 Au Cl F6 N3 P2 -","- C268 H344 Au8 Cl8 F48 N24 P16 -","8","2","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","1.54178","CuKα","","0.0459","0.042","","","0.1023","0.1051","","","","","","1.029","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705312","20.0632","0.0012","12.0672","0.001","42.305","0.004","90","","95.794","0.002","90","","10190","1.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H49.5 K4 N6.5 P2 -","- C57 H49.5 K4 N6.5 P2 -","- C456 H396 K32 N52 P16 -","8","2","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.0342","0.0326","","","0.0827","0.0835","","","","","","1.034","","","","has coordinates","258830","2020-11-06","12:12:16",""
"7705330","13.7091","0.0004","18.1676","0.0005","7.1474","0.0002","90","","93.851","0.001","90","","1776.12","0.09","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","Dimeric Silverphosphonate","","","- C12 H16 Ag2 N2 O9 P2 -","- C12 H16 Ag2 N2 O9 P2 -","- C48 H64 Ag8 N8 O36 P8 -","4","1","","Rom, Tanmay; Paul, Avijit Kumar","Role of aromatic <i>vs.</i> aliphatic amine for the variation of structural, electrical and catalytic behaviors in a series of silver phosphonate extended hybrid solids.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13618","13634","10.1039/d0dt02796k","","","0.71073","MoKα","","0.0529","0.0335","","","0.0804","0.1161","","","","","","1.177","","","","has coordinates","258831","2020-11-06","12:12:35",""
"7705752","32.453","0.006","10.493","0.002","20.097","0.004","90","","113.66","0.03","90","","6268","3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H37 Cl Cu N2 O3 -","- C30 H37 Cl Cu N2 O3 -","- C240 H296 Cl8 Cu8 N16 O24 -","8","2","","Ribeiro, Nádia; Bulut, Ipek; Cevatemre, Buse; Teixeira, Carlos; Yildizhan, Yasemin; André, Vânia; Adão, Pedro; Pessoa, João Costa; Acilan, Ceyda; Correia, Isabel","Cu(ii) and V(iv)O complexes with tri- or tetradentate ligands based on (2-hydroxybenzyl)-l-alanines reveal promising anticancer therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","157","169","10.1039/d0dt03331f","","","0.71073","MoKα","","0.1034","0.0573","","","0.1173","0.1368","","","","","","0.956","","","","has coordinates","261639","2021-02-04","23:06:55",""
"7705848","37.553","0.002","13.528","0.0002","28.951","0.0017","90","","137.663","0.011","90","","9905","2","118","0.14","118","0.14","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C108 H108 Cl2 Ga2 K2 N22 O12 -","- C108 H108 Cl2 Ga2 K2 N22 O12 -","- C432 H432 Cl8 Ga8 K8 N88 O48 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Rompanen, Ivan A.; Lyubovskaya, Rimma N.","Reaction of Ga<sup>III</sup>ClPc, Sn<sup>IV</sup>Cl<sub>2</sub>TPP and B<sup>III</sup>ClSubPc with cyanide anions: reduction of macrocycles <i>vs.</i> formation of cyano-containing macrocyclic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16801","16812","10.1039/d0dt03404e","","x-ray","0.71073","MoKα","","0.0552","0.0477","","","0.1259","0.1317","","","","","","1.083","","","","has coordinates,has disorder","259686","2020-12-09","03:05:55",""
"7705856","23.8941","0.0005","16.1966","0.0004","37.3543","0.0008","90","","112.179","0.003","90","","13386.6","0.6","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C130 H142 B2 F48 N2 P4 Rh2 -","- C130 H142 B2 F48 N2 P4 Rh2 -","- C520 H568 B8 F192 N8 P16 Rh8 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.1978","0.1755","","","0.3729","0.3884","","","","","","1.079","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7706009","27.761","0.003","3.9611","0.0005","15.6659","0.0016","90","","111.098","0.004","90","","1607.2","0.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15 H11 Hg I N2 O2 S -","- C15 H11 Hg I N2 O2 S -","- C60 H44 Hg4 I4 N8 O8 S4 -","4","1","","Mahmoudi, Ghodrat; Masoudiasl, Ardavan; Babashkina, Maria G.; Frontera, Antonio; Doert, Thomas; White, Jonathan M.; Zangrando, Ennio; Zubkov, Fedor I.; Safin, Damir A.","On the importance of π-hole spodium bonding in tricoordinated Hg<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17547","17551","10.1039/d0dt03938a","","","0.71073","MoKα","","0.0889","0.0506","","","0.0781","0.0886","","","","","","0.915","","","","has coordinates","260759","2021-01-07","06:20:27",""
"7706088","13.6","0.0003","23.7029","0.0006","22.3885","0.0006","90","","93.718","0.002","90","","7202","0.3","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H62 Cl6 N2 Sb2 Se -","- C69 H54 Cl6 N2 Sb2 Se -","- C276 H216 Cl24 N8 Sb8 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0777","0.0735","","","0.2231","0.2278","","","","","","1.091","","","","has coordinates","259987","2020-12-19","03:16:05",""
"7706089","13.78581","0.00017","23.6833","0.0005","22.4844","0.0004","90","","91.6768","0.0015","90","","7337.9","0.2","298","","298","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C76.33 H65.67 Br6 Cl0.67 N2 Sb2 Se -","- C69 H57 Br6 N2 Sb2 Se -","- C276 H228 Br24 N8 Sb8 Se4 -","4","1","","Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan","Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17331","17340","10.1039/d0dt02999h","","","1.54184","CuKα","","0.0496","0.0436","","","0.1114","0.1176","","","","","","0.9521","","","","has coordinates","259987","2020-12-19","03:16:06",""
"7706196","10.2639","0.0003","13.4056","0.0003","13.9884","0.0004","90","","110.553","0.001","90","","1802.2","0.08","200","","200","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H23 Cl Ir N O -","- C19 H23 Cl Ir N O -","- C76 H92 Cl4 Ir4 N4 O4 -","4","1","","Ramos, Robin; Zimbron, Jérémy M; Thorimbert, Serge; Chamoreau, Lise-Marie; Munier, Annie; Botuha, Candice; Karaiskou, Anthi; Salmain, Michèle; Sobczak-Thépot, Joëlle","Insights into the antiproliferative mechanism of (C^N)-chelated half-sandwich iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17635","17641","10.1039/d0dt03414b","","","0.71073","MoKα","","0.0161","0.0149","","","0.0337","0.0341","","","","","","1.043","","","","has coordinates","260109","2020-12-23","03:06:40",""
"7706348","22.259","0.003","7.0964","0.0011","7.1605","0.0009","90","","99.056","0.007","90","","1117","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cl2 La3 S5 Sb -","- Cl2 La3 S5 Sb -","- Cl8 La12 S20 Sb4 -","4","1","","Zhao, Hua-Jun; Liu, Peng-Fei; Wu, Li-Ming","Structural diversities in centrosymmetric La<sub>8</sub>S<sub>4</sub>Cl<sub>8</sub>La<sub>12</sub>S<sub>8</sub>Cl<sub>4</sub>[SbS<sub>3</sub>]<sub>8</sub> and non-centrosymmetric Ln<sub>12</sub>S<sub>8</sub>Cl<sub>8</sub>[SbS<sub>3</sub>]<sub>4</sub> (Ln = La and Ce): syntheses, crystal and electronic structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2075","2082","10.1039/d0dt03953e","","","0.71073","MoKα","","0.0231","0.0208","","","0.0443","0.0457","","","","","","1.014","","","","has coordinates","262638","2021-03-05","02:03:40",""
"7706349","22.066","0.002","7.0323","0.0007","7.0889","0.0009","90","","98.95","0.007","90","","1086.6","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ce3 Cl2 S5 Sb -","- Ce3 Cl2 S5 Sb -","- Ce12 Cl8 S20 Sb4 -","4","1","","Zhao, Hua-Jun; Liu, Peng-Fei; Wu, Li-Ming","Structural diversities in centrosymmetric La<sub>8</sub>S<sub>4</sub>Cl<sub>8</sub>La<sub>12</sub>S<sub>8</sub>Cl<sub>4</sub>[SbS<sub>3</sub>]<sub>8</sub> and non-centrosymmetric Ln<sub>12</sub>S<sub>8</sub>Cl<sub>8</sub>[SbS<sub>3</sub>]<sub>4</sub> (Ln = La and Ce): syntheses, crystal and electronic structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2075","2082","10.1039/d0dt03953e","","","0.71073","MoKα","","0.0246","0.0235","","","0.0575","0.0584","","","","","","1.013","","","","has coordinates","262638","2021-03-05","02:03:40",""
"7706375","14.713","0.003","16.575","0.004","26.663","0.006","90","","90.201","0.005","90","","6502","3","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","[Si8O12][OSi(OMe)3]8","","- C24 H72 O44 Si16 -","- C24 H72 O44 Si16 -","- C96 H288 O176 Si64 -","4","1","","Nozawa, Takeshi; Kobayashi, Toshiaki; Matsumoto, Tomohiro; Yagihashi, Fujio; Sato, Kazuhiko; Igarashi, Masayasu","Treating octasilanol [Si<sub>8</sub>O<sub>12</sub>][OH]<sub>8</sub> with tetramethoxysilane and trimethoxyvinylsilane: a halogen-free synthetic route to alkoxysilyl-substituted double-four-ring siloxanes.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1594","1598","10.1039/d0dt04265j","","","0.71075","MoKα","","0.0965","0.0659","","","0.152","0.1664","","","","","","0.967","","","","has coordinates,has disorder","262623","2021-03-05","01:59:34",""
"7706448","10.3255","0.0006","22.7235","0.0011","8.0546","0.0005","90","","101.849","0.006","90","","1849.59","0.19","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H16 Cu N4 O12 -","- C14 H16 Cu N4 O12 -","- C56 H64 Cu4 N16 O48 -","4","1","","Andrejević, Tina P; Aleksic, Ivana; Počkaj, Marta; Kljun, Jakob; Milivojevic, Dusan; Stevanović, Nevena Lj; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Tailoring copper(ii) complexes with pyridine-4,5-dicarboxylate esters for anti-Candida activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2627","2638","10.1039/d0dt04061d","","x-ray","0.71073","MoKα","","0.0391","0.0336","","","0.0714","0.0745","","","","","","1.054","","","","has coordinates","262647","2021-03-05","02:05:43",""
"7706498","10.3866","0.0009","10.3829","0.0009","38.197","0.004","90","","97.055","0.007","90","","4088.1","0.7","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Wang, Le; Sun, Haochen; Sun, Chun; Xu, Da; Tao, Jiaqi; Wei, Tong; Zhang, Zi-Hui; Zhang, Yonghui; Wang, Ziying; Bi, Wengang","Lead-free, stable orange-red-emitting hybrid copper based organic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2766","2773","10.1039/d0dt04413j","","","1.34139","GaKα","","0.1326","0.1146","","","0.3028","0.3218","","","","","","1.066","","","","has coordinates","262604","2021-03-05","01:54:54",""
"7706576","15.311","0.005","13.056","0.005","34.46","0.005","90","0.005","100.11","0.005","90","0.005","6782","4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H32 Co2 N12 O12 -","- C66 H32 Co2 N12 O12 -","- C264 H128 Co8 N48 O48 -","4","1","","Han, Zhen; Fu, Yaomei; Zhang, Yingchao; Zhang, Xiao; Meng, Xing; Zhou, Ziyan; Su, Zhongmin","Metal-organic framework (MOF) composite materials for photocatalytic CO<sub>2</sub> reduction under visible light.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3186","3192","10.1039/d1dt00128k","","","0.71069","MoKα","","0.0473","0.0414","","","0.1162","0.1236","","","","","","1.071","","","","has coordinates","263762","2021-04-05","14:50:10",""
"7706702","30.2978","0.0002","18.4123","0.0001","15.2062","0.0001","90","","121.042","0.001","90","","7267.98","0.11","100","0.3","100.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C70 H61 Cl4 Cu4 F6 N10 P5 -","- C70 H61 Cl4 Cu4 F6 N10 P5 -","- C280 H244 Cl16 Cu16 F24 N40 P20 -","4","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0424","0.0409","","","0.1088","0.1106","","","","","","1.019","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706709","14.8559","0.0009","22.7886","0.0015","14.2271","0.0009","90","","116.612","0.002","90","","4306.3","0.5","240","2","240","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C92 H80 B2 Br8 Mn2 N8 O4 -","- C92 H80 B2 Br8 Mn2 N8 O4 -","- C184 H160 B4 Br16 Mn4 N16 O8 -","2","0.5","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mondal, Abhishake","Effect of ligand substituents and tuning the spin-state switching in manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4634","4642","10.1039/d1dt00284h","","","0.71073","MoKα","","0.2267","0.0635","","","0.1106","0.1548","","","","","","0.963","","","","has coordinates","266057","2021-06-05","18:45:39",""
"7706740","14.7283","0.001","22.1188","0.0014","21.6214","0.0014","90","","101.584","0.003","90","","6900.2","0.8","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H62 Cl3 Mn2 N12 O15 -","- C68 H60 Cl3 Mn2 N12 O15 -","- C272 H240 Cl12 Mn8 N48 O60 -","4","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.71075","MoKα","","0.0817","0.0741","","","0.1958","0.2129","","","","","","1.096","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706742","23.2584","0.0013","20.6984","0.0009","13.4561","0.0009","90","","98.163","0.003","90","","6412.3","0.6","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H57 Cl3 Mn2 N11 O14 -","- C66 H57 Cl3 Mn2 N11 O14 -","- C264 H228 Cl12 Mn8 N44 O56 -","4","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.71075","MoKα","","0.0534","0.0471","","","0.1116","0.118","","","","","","1.081","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706886","16.274","0.0004","9.8889","0.0003","14.5937","0.0005","90","","103.215","0.001","90","","2286.4","0.12","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H26 Br Cl2 N3 Sn -","- C20 H26 Br Cl2 N3 Sn -","- C80 H104 Br4 Cl8 N12 Sn4 -","4","1","","Švec, Petr; Samsonov, Maksim A.; RůŽičková, Zdeňka; Brus, Jiří; RůŽička, Aleš","Oxidative addition of cyanogen bromide to <i>C</i>,<i>N</i>-chelated and Lappert's stannylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5519","5529","10.1039/d1dt00704a","","","0.71073","MoKα","","0.0213","0.0183","","","0.039","0.0396","","","","","","0.942","","","","has coordinates,has disorder","264899","2021-05-05","08:38:46",""
"7706941","8.9972","0.0004","38.285","0.0016","9.9331","0.0004","90","","116.703","0.001","90","","3056.6","0.2","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37 H30 Fe O3 P2 Pd -","- C37 H30 Fe O3 P2 Pd -","- C148 H120 Fe4 O12 P8 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0165","0.0164","","","0.041","0.0411","","","","","","1.115","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706981","28.4948","0.0019","12.0595","0.0007","14.7903","0.0008","90","","121.059","0.003","90","","4353.8","0.5","154.01","","154.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(1,3-propanediamine)Chromium(III)Chloride","","- C9 H30 Cl3 Cr N6 O0.12 -","- C10 H37 Cl3 Cr N6 O2.5 -","- C80 H296 Cl24 Cr8 N48 O20 -","8","2","","Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.","Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5342","5350","10.1039/d1dt00066g","","","0.71073","MoKα","","0.0878","0.0667","","","0.1877","0.2117","","","","","","1.077","","","","has coordinates,has disorder","266080","2021-06-05","18:52:32",""
"7707115","54.4788","0.0009","30.7508","0.0003","38.316","0.0008","90","","110.4","0.002","90","","60163.7","1.9","120","0.14","120","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C325 H374 Co30 N30 O92 S24 -","- C313 H336 Co30 N24 O92 S24 -","- C1252 H1344 Co120 N96 O368 S96 -","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","","x-ray","1.3405","GaKα","","0.1286","0.074","","","0.195","0.2245","","","","","","0.997","","","","has coordinates,has disorder","266094","2021-06-05","18:58:40",""
"7707245","23.9161","0.0005","12.8024","0.0003","17.3043","0.0004","90","","130.542","0.002","90","","4026.3","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H36 B F20 N -","- C40 H36 B F20 N -","- C160 H144 B4 F80 N4 -","4","1","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0265","0.0247","","","0.061","0.0621","","","","","","1.036","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707318","13.3083","0.001","6.3183","0.0004","12.2565","0.0008","90","","109.22","0.004","90","","973.15","0.12","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H6 N8 O6 -","- C4 H6 N8 O6 -","- C16 H24 N32 O24 -","4","1","","Yang, Kaidi; Bi, Fuqiang; Xue, Qi; Huo, Huan; Bai, Chao; Zhang, Junlin; Wang, Bozhou","Synthesis and properties of azamonocyclic energetic materials with geminal explosophores.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8338","8348","10.1039/d1dt00581b","","","0.71073","MoKα","","0.0345","0.028","","","0.056","0.06","","","","","","1.088","","","","has coordinates","267139","2021-07-05","17:27:17",""
"7707485","20.7044","0.0013","15.9646","0.001","28.8066","0.0013","90","","100.355","0.005","90","","9366.6","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C97 H130 Ga2 N4 Na2 O10 -","- C97 H130 Ga2 N4 Na2 O10 -","- C388 H520 Ga8 N16 Na8 O40 -","4","1","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.09","0.0671","","","0.1624","0.1814","","","","","","1.017","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7707526","17.497","0.003","12.705","0.002","20.349","0.004","90","","94.869","0.005","90","","4507.2","1.4","296","2","296.5","","","","","","","","","6","C 1 c 1","C -2yc","9","{[YFe(CN)6](2-PNO)5}(H2O)4,14Jul01j","","","- C36 H43 Fe N11 O9 Y -","- C36 H43 Fe N11 O9 Y -","- C144 H172 Fe4 N44 O36 Y4 -","4","1","","Wang, Fei; Gong, Hui-Wen; Zhang, Yan; Xue, An-Qi; Zhu, Wen-Hua; Zhang, Yi-Quan; Huang, Zhen-Na; Sun, Hao-Ling; Liu, Bei; Fang, Yue-Yi; Gao, Song","The comparative studies on the magnetic relaxation behaviour of the axially-elongated pentagonal-bipyramidal dysprosium and erbium ions in similar one-dimensional chain structures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8736","8745","10.1039/d1dt00944c","","","0.71073","MoKα","","0.147","0.0624","","","0.0904","0.1153","","","","","","0.999","","","","has coordinates","267181","2021-07-05","17:39:37",""
"7707527","17.322","0.0008","12.6628","0.0007","20.3253","0.001","90","","95.072","0.002","90","","4440.8","0.4","298","2","298.2","","","","","","","","","6","C 1 c 1","C -2yc","9","{[ErCo(CN)6](2-PNO)5}(H2O)4,DongXQ-15Oct28e","","","- C36 H43 Co Er N11 O9 -","- C36 H43 Co Er N11 O9 -","- C144 H172 Co4 Er4 N44 O36 -","4","1","","Wang, Fei; Gong, Hui-Wen; Zhang, Yan; Xue, An-Qi; Zhu, Wen-Hua; Zhang, Yi-Quan; Huang, Zhen-Na; Sun, Hao-Ling; Liu, Bei; Fang, Yue-Yi; Gao, Song","The comparative studies on the magnetic relaxation behaviour of the axially-elongated pentagonal-bipyramidal dysprosium and erbium ions in similar one-dimensional chain structures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8736","8745","10.1039/d1dt00944c","","","0.71073","MoKα","","0.0768","0.0511","","","0.1087","0.1331","","","","","","1.067","","","","has coordinates","267181","2021-07-05","17:39:37",""
"7707528","17.458","0.003","12.706","0.002","20.304","0.004","90","","94.899","0.007","90","","4487.4","1.4","298","2","298.2","","","","","","","","","6","C 1 c 1","C -2yc","9","{[DyCo(CN)6](2-PNO)5}(H2O)4,15Sep27j","","","- C36 H43 Co Dy N11 O9 -","- C36 H43 Co Dy N11 O9 -","- C144 H172 Co4 Dy4 N44 O36 -","4","1","","Wang, Fei; Gong, Hui-Wen; Zhang, Yan; Xue, An-Qi; Zhu, Wen-Hua; Zhang, Yi-Quan; Huang, Zhen-Na; Sun, Hao-Ling; Liu, Bei; Fang, Yue-Yi; Gao, Song","The comparative studies on the magnetic relaxation behaviour of the axially-elongated pentagonal-bipyramidal dysprosium and erbium ions in similar one-dimensional chain structures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8736","8745","10.1039/d1dt00944c","","","0.71073","MoKα","","0.0484","0.0353","","","0.0591","0.0627","","","","","","1.027","","","","has coordinates","267181","2021-07-05","17:39:37",""
"7707529","17.4692","0.0019","12.6996","0.0013","20.397","0.002","90","","94.93","0.005","90","","4508.4","0.8","298","2","298","","","","","","","","","6","C 1 c 1","C -2yc","9","{[ErFe(CN)6](2-PNO)5}(H2O)4,15Jan26e","","","- C36 H43 Er Fe N11 O9 -","- C36 H43 Er Fe N11 O9 -","- C144 H172 Er4 Fe4 N44 O36 -","4","1","","Wang, Fei; Gong, Hui-Wen; Zhang, Yan; Xue, An-Qi; Zhu, Wen-Hua; Zhang, Yi-Quan; Huang, Zhen-Na; Sun, Hao-Ling; Liu, Bei; Fang, Yue-Yi; Gao, Song","The comparative studies on the magnetic relaxation behaviour of the axially-elongated pentagonal-bipyramidal dysprosium and erbium ions in similar one-dimensional chain structures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8736","8745","10.1039/d1dt00944c","","","0.71073","MoKα","","0.0754","0.0464","","","0.0749","0.0858","","","","","","1.034","","","","has coordinates","267181","2021-07-05","17:39:37",""
"7707641","14.6785","0.0002","40.9426","0.0005","14.4762","0.0002","90","","107.797","0.002","90","","8283.5","0.2","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Na[Li3(1)3Ti2]","","- C78 H96 Li3 N2 Na O40 Ti2 -","- C78 H96 Li3 N2 Na O40 Ti2 -","- C312 H384 Li12 N8 Na4 O160 Ti8 -","4","1","","Mevissen, Christian; Sommer, David; Vasanthakumar, Sabarina; Truong, Khai-Nghi; Rissanen, Kari; Albrecht, Markus","Cation-translocation based isomerism offers a tool for the expansion of compressed helicates.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9372","9375","10.1039/d1dt01707a","","","1.54184","CuKα","","0.085","0.0726","","","0.1799","0.188","","","","","","1.09","","","","has coordinates","268727","2021-09-06","11:00:12",""
"7707702","29.171","0.005","10.6913","0.0018","21.741","0.003","90","","110.572","0.009","90","","6348.1","1.8","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H63 F7 N4 O Rh -","- C64 H63 F7 N4 O Rh -","- C256 H252 F28 N16 O4 Rh4 -","4","1","","Fu, Li-Jie; An, Bo-Hsun; Chou, Chih-Hsuan; Chen, Chi-Min; To, Ching Tat","Base-promoted perfluoroalkylation of rhodium(III) porphyrin complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9949","9957","10.1039/d1dt01118a","","x-ray","0.71073","MoKα","","0.1325","0.0961","","","0.2483","0.2857","","","","","","1.053","","","","has coordinates,has disorder","268712","2021-09-06","10:54:58",""
"7707703","23.819","0.005","16.065","0.003","21.035","0.004","90","","120.37","0.03","90","","6945","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C74 H111 N2 O8 Y -","- C74 H111 N2 O8 Y -","- C296 H444 N8 O32 Y4 -","4","1","","Jiao, Yushu; Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Izarova, Natalya V.; Campbell, Cameron L.; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul","Exploiting complementary ligands for the construction of square antiprismatic monometallic lanthanide SMMs.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9648","9654","10.1039/d1dt00359c","","","0.71073","MoKα","","0.0876","0.0652","","","0.1588","0.176","","","","","","1.036","","","","has coordinates","268723","2021-09-06","10:58:59",""
"7707705","23.8297","0.0006","16.0808","0.0004","21.055","0.0005","90","","120.339","0.001","90","","6963.4","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C74 H111 Dy N2 O8 -","- C74 H111 Dy N2 O8 -","- C296 H444 Dy4 N8 O32 -","4","1","","Jiao, Yushu; Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Izarova, Natalya V.; Campbell, Cameron L.; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul","Exploiting complementary ligands for the construction of square antiprismatic monometallic lanthanide SMMs.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9648","9654","10.1039/d1dt00359c","","","0.71073","MoKα","","0.0152","0.0144","","","0.0388","0.0393","","","","","","1.038","","","","has coordinates","268723","2021-09-06","10:58:59",""
"7707758","10.721","0.003","18.897","0.005","23.186","0.006","90","","97.284","0.01","90","","4659","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","hexakis(1-nitrratoethyl-5H-tetrazolyl) copper(II) dichlorate","hexakis(1-nitrratoethyl-5H-tetrazolyl) copper(II) dichlorate","","- C18 H30 Cl2 Cu N30 O24 -","- C18 H30 Cl2 Cu N30 O24 -","- C72 H120 Cl8 Cu4 N120 O96 -","4","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","","0.71073","MoKα","","0.0762","0.0646","","","0.1705","0.1824","","","","","","1.036","","","","has coordinates,has disorder","268787","2021-09-06","11:20:14",""
"7707846","23.3784","0.0004","19.8247","0.0003","22.6637","0.0004","90","","90.025","0.002","90","","10503.9","0.3","100.15","","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","[Co(5tpybNOH)2](BPh4)2","","- C97 H104 B2 Co N10 O5 -","- C97 H104 B2 Co N10 O5 -","- C388 H416 B8 Co4 N40 O20 -","4","1","","Kanetomo, Takuya; Inokuma, Kiwamu; Naoi, Yuya; Enomoto, Masaya","Spin transition triggered by desorption of crystal solvents for a two-dimensional cobalt(ii) complex with hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11243","11248","10.1039/d1dt01934a","","x-ray","1.54184","CuKα","","0.0637","0.0551","","","0.1446","0.1706","","","","","","1.06","","","","has coordinates,has disorder","268738","2021-09-06","11:04:43",""
"7707980","8.3945","0.0002","21.4072","0.0005","16.9249","0.0004","90","","95.588","0.001","90","","3027","0.12","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H53 Cl P2 Ru -","- C29 H53 Cl P2 Ru -","- C116 H212 Cl4 P8 Ru4 -","4","1","","Wiedmaier, Nicholas R.; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Carbocyclic pincer carbene complexes of ruthenium: syntheses and reversible hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11814","11820","10.1039/d1dt02266k","","","0.71073","MoKα","","0.0289","0.0253","","","0.0515","0.0526","","","","","","1.008","","","","has coordinates","268802","2021-09-06","11:26:28",""
"7708084","6.09453","0.00012","46.205","0.001","23.6195","0.0005","90","","97.3809","0.0012","90","","6596.1","0.2","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H20 Cu F2 N2 O5 -","- C24 H20 Cu F2 N2 O5 -","- C288 H240 Cu12 F24 N24 O60 -","12","3","","Takahashi, Kiyonori; Miyazaki, Yuji; Noro, Shin-ichiro; Nakano, Motohiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Dipole Fluctuation and Structural Phase Transition in Hydrogen-Bonding Molecular Assemblies of Mononuclear CuII Complexes with Polar Fluorobenzoate Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02118D","","","1.54187","CuKα","","0.0636","0.05","","","0.1191","0.1286","","","","","","0.977","","","","has coordinates","268130","2021-08-18","22:58:47",""
"7708171","14.2486","0.001","19.1836","0.0014","21.6652","0.0018","90","","106.281","0.002","90","","5684.5","0.7","150","","150","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H82 Ho I3 N12 O9 P4 -","- C24 H82 Ho I3 N12 O9 P4 -","- C96 H328 Ho4 I12 N48 O36 P16 -","4","1","","Klahn, Emil Andreasen; Thiel, Andreas Munch; Degn, Rasmus B.; Kibalin, Iurii; Gukasov, Arsen; wilson, claire; Canaj, Angelos B.; Murrie, Mark; Overgaard, Jacob","Magnetic anisotropies of Ho(III) and Dy(III) single-molecule magnets experimentally determined via polarized neutron diffraction","Dalton Transactions","2021","","","","","10.1039/D1DT01959G","","","0.71073","MoKα","","0.0383","0.0349","","","0.0875","0.0903","","","","","","1.045","","","","has coordinates,has disorder","268374","2021-09-02","23:05:21",""
"7708254","10.5495","0.0012","17.8137","0.0018","11.4884","0.0019","90","","96.879","0.003","90","","2143.4","0.5","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H19 N5 O10 Ru -","- C16 H19 N5 O10 Ru -","- C64 H76 N20 O40 Ru4 -","4","1","","Yakovlev, Ivan A.; Mikhailov, Artem A.; Eremina, Julia A.; Klyushova, Lyubov S.; Nadolinny, Vladimir A.; Kostin, Gennadiy A.","Nitric oxide release and related light-induced cytotoxicity of ruthenium nitrosyls with coordinated nicotinate derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02190g","","","0.71073","MoKα","","0.0675","0.0429","","","0.0669","0.0818","","","","","","1.084","","","","has coordinates","269072","2021-09-09","23:04:30",""
"7708409","10.3506","0.0005","28.6229","0.0014","17.3038","0.0008","90","","91.771","0.004","90","","5124","0.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H59 Cl4 N5 O18 S3 -","- C36 H59 Cl4 N5 O18 S3 -","- C144 H236 Cl16 N20 O72 S12 -","4","1","","Jökel, Julia; Nyßen, Frauke; Siegmund, Daniel; Apfel, Ulf-Peter","An Asymmetric Cryptand for the Site-Specific Coordination of 3d Metals in Multiple Oxidation States","Dalton Transactions","2021","","","","","10.1039/D1DT02075G","","","0.71073","MoKα","","0.0498","0.0434","","","0.1083","0.1145","","","","","","1.022","","","","has coordinates,has disorder","269299","2021-09-24","23:05:12",""
"7708426","10.8193","0.0005","26.3138","0.0012","14.9826","0.0006","90","","108.307","0.001","90","","4049.6","0.3","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H42 F6 Fe N4 P Pd Sb -","- C40 H42 F6 Fe N4 P Pd Sb -","- C160 H168 F24 Fe4 N16 P4 Pd4 Sb4 -","4","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.014","0.0138","","","0.0352","0.0355","","","","","","1.038","","","","has coordinates","269300","2021-09-24","23:08:42",""
"7708561","20.9339","0.0009","13.2633","0.0006","16.2274","0.0005","90","","95.07","0.003","90","","4488","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H52 Cl2 N8 Ni O12 -","- C44 H52 Cl2 N8 Ni O12 -","- C176 H208 Cl8 N32 Ni4 O48 -","4","1","","Peng, Min; Wu, Xiao-Fan; Wang, Li-Xin; Chen, Si-Huai; Xiang, Jing; Jin, Xin-Xin; Yiu, Shek-Man; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in high-coordinate Co(II) and Fe(II) compounds bearing neutral tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02575a","","","1.54178","CuKα","","0.0477","0.0461","","","0.1216","0.124","","","","","","1.03","","","","has coordinates,has disorder","269958","2021-10-14","23:04:46",""
"7708627","10.5249","0.0009","11.3803","0.0006","22.8382","0.0014","90","","91.681","0.003","90","","2734.3","0.3","150","2","150","2","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C15 H12 F Fe N O2 S -","- C15 H12 F Fe N O2 S -","- C120 H96 F8 Fe8 N8 O16 S8 -","8","2","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0621","0.0536","","","0.1323","0.139","","","","","","1.048","","","","has coordinates,has disorder","270122","2021-10-28","23:40:53",""
"7708789","9.8716","0.0005","26.4281","0.0015","9.6977","0.0005","90","","114.193","0.001","90","","2307.8","0.2","274","2","274","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H30 B12 Br2 S -","- C12 H30 B12 Br2 S -","- C48 H120 B48 Br8 S4 -","4","1","","Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond","Dalton Transactions","2021","","","","","10.1039/D1DT03665C","","","0.71073","MoKα","","0.0289","0.0273","","","0.0698","0.0708","","","","","","1.035","","","","has coordinates","270590","2021-11-11","00:06:12",""
"7708895","16.7332","0.0003","6.476","0.0001","9.8022","0.0002","90","","93.1517","0.0009","90","","1060.6","0.03","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cu4MnGe2S7","tetracopper manganese digermanium heptasulfide","","- Cu4 Ge2 Mn S7 -","- Cu4 Ge2 Mn S7 -","- Cu16 Ge8 Mn4 S28 -","4","1","","Glenn, Jennifer R.; Cho, Jeong Bin; Wang, Yiqun; Craig, Andrew J.; Zhang, Jian-Han; Cribbs, Marvene; Stoyko, Stanislav S.; Rosello, Kate E.; Barton, Christopher; Bonnoni, Allyson; Grima-Gallardo, Pedro; MacNeil, Joseph H.; Rondinelli, James M.; Jang, Joon I.; Aitken, Jennifer A.","Cu4MnGe2S7 and Cu2MnGeS4: two polar thiogermanates exhibiting second harmonic generation in the infrared and structures derived from hexagonal diamond","Dalton Transactions","2021","","","","","10.1039/D1DT02535J","","","0.71073","MoKα","","0.0223","0.021","","","0.0521","0.0551","","","","","","1.068","","","","has coordinates","270765","2021-11-19","23:57:15",""
"7708925","15.0178","0.0005","19.5152","0.0007","10.5665","0.0003","90","","93.806","0.003","90","","3089.95","0.18","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.032","0.028","","","0.0716","0.0737","","","","","","1.043","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708926","15.036","0.0006","19.5219","0.0008","10.5714","0.0004","90","","93.949","0.003","90","","3095.7","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0399","0.0331","","","0.0791","0.0825","","","","","","1.052","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708927","15.1193","0.0005","19.3382","0.0009","10.6585","0.0005","90","","92.909","0.004","90","","3112.3","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0454","0.0374","","","0.0936","0.0985","","","","","","1.054","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708928","15.0793","0.0006","19.4818","0.001","10.5855","0.0004","90","","93.612","0.003","90","","3103.5","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0436","0.0343","","","0.0817","0.0862","","","","","","1.042","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708929","15.059","0.0006","19.1869","0.0008","10.7664","0.0004","90","","95.169","0.003","90","","3098.1","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0404","0.0333","","","0.0779","0.0817","","","","","","1.042","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708930","15.152","0.0006","19.2929","0.0011","10.7055","0.0005","90","","92.884","0.004","90","","3125.5","0.3","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0523","0.0422","","","0.1033","0.1088","","","","","","1.055","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708931","15.0709","0.0006","19.4318","0.0009","10.6012","0.0003","90","","93.251","0.003","90","","3099.6","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0438","0.0356","","","0.0923","0.0963","","","","","","1.03","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7709038","15.8285","0.0003","10.1903","0.0009","9.1832","0.0003","90","","90.062","0.004","90","","1481.22","0.14","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H13 Ce N2 O9 -","- C11 H13 Ce N2 O9 -","- C44 H52 Ce4 N8 O36 -","4","1","","Fonseca de Lima, Juliana; Moreno, Fernanda V. S.; Menezes, Bruno A. T.; da Silva Barbosa, Jader; Waddington, Matthew C.; Franklin, Siân A; Clarkson, Guy J.; Walker, Marc; Serra, Osvaldo A.; Walton, Richard I.","Investigation of the preparation and reactivity of metal-organic frameworks of cerium and pyridine-2,4,6-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","145","155","10.1039/d1dt03514b","","x-ray","0.71073","MoKα","","0.0178","0.0169","","","0.0357","0.0363","","","","","","1.058","","","","has coordinates,has disorder","272651","2022-02-04","19:31:51",""
"7709039","3.42187","0.00008","16.9689","0.0004","15.1988","0.0004","90","","91.59","0.002","90","","882.18","0.04","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H2 N Na3 O6 -","- C8 H2 N Na3 O6 -","- C32 H8 N4 Na12 O24 -","4","1","","Fonseca de Lima, Juliana; Moreno, Fernanda V. S.; Menezes, Bruno A. T.; da Silva Barbosa, Jader; Waddington, Matthew C.; Franklin, Siân A; Clarkson, Guy J.; Walker, Marc; Serra, Osvaldo A.; Walton, Richard I.","Investigation of the preparation and reactivity of metal-organic frameworks of cerium and pyridine-2,4,6-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","145","155","10.1039/d1dt03514b","","x-ray","0.71073","MoKα","","0.0234","0.0229","","","0.0631","0.0635","","","","","","1.122","","","","has coordinates","272651","2022-02-04","19:31:53",""
"7709104","6.585","0.0003","17.7646","0.0007","12.3972","0.0005","90","","104.506","0.004","90","","1403.99","0.1","235","30","235","30","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H22 As N9 O6 -","- C3 H22 As N9 O6 -","- C12 H88 As4 N36 O24 -","4","1","","Wang, Dongmei; Wei, Zhuangzhuang; Bai, Zhiyong; Liu, Lehui; Lin, Zhoubin; Zhang, Lizhen","Hybrid organic-inorganic triguanidine arsenate dihydrate for ultraviolet nonlinear optical application","Dalton Transactions","2021","","","","","10.1039/D1DT03323A","","x-ray","1.3405","GaKα","","0.0188","0.0183","","","0.0431","0.0433","","","","","","1.013","","","","has coordinates","271456","2021-12-16","00:03:28",""
"7709149","19.6528","0.0004","18.6233","0.0003","19.0075","0.0004","90","","95.49","0.0018","90","","6924.8","0.2","93","","93","","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C61 H66 B F27 Mo N2 O3 P2 S -","- C61 H66 B F27 Mo N2 O4 P2 S -","- C244 H264 B4 F108 Mo4 N8 O16 P8 S4 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0677","0.063","","","0.1626","0.167","","","","","","1.033","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709297","9.0058","0.0012","24.672","0.003","7.7615","0.0011","90","","114.513","0.005","90","","1569.1","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 Fe2 N2 O2 -","- C18 H18 Fe2 N2 O2 -","- C72 H72 Fe8 N8 O8 -","4","1","","Bresciani, Giulio; Schoch, Silvia; Biancalana, Lorenzo; Zacchini, Stefano; Bortoluzzi, Marco; Pampaloni, Guido; Marchetti, Fabio","Cyanide-alkene competition in a diiron complex and isolation of a multisite (cyano)alkylidene-alkene species.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1936","1945","10.1039/d1dt03781a","","","0.71073","MoKα","","0.0954","0.0847","","","0.2126","0.2166","","","","","","1.242","","","","has coordinates","272677","2022-02-04","19:41:14",""
"7709348","15.059","0.0016","15.3717","0.0016","22.448","0.002","90","","93.002","0.005","90","","5189.2","0.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H60.5 Cl2 N6 Ni2 O16.75 P -","- C46 H60.5 Cl2 N6 Ni2 O16.75 P -","- C184 H242 Cl8 N24 Ni8 O67 P4 -","4","1","","Simon, Jasmin; Horstmann, Claudia; Mix, Andreas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Evaluation of the Binding Mode of a Cytotoxic Dinuclear Nickel Complex to two Neighboring Phosphates of the DNA Backbone","Dalton Transactions","2022","","","","","10.1039/D1DT03813C","","","0.71073","MoKα","","0.0426","0.0351","","","0.0888","0.0921","","","","","","1.022","","","","has coordinates,has disorder","272215","2022-01-24","23:52:37",""
"7709582","29.6","0.015","21.925","0.011","22.45","0.011","90","","94.34","0.017","90","","14528","13","196","2","195.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C132 H207 K3 Mg3 N12 O6 -","- C132 H207 K3 Mg3 N12 O6 -","- C528 H828 K12 Mg12 N48 O24 -","4","1","","Xue, Yujie; Wang, Jijiang; Shi, Yalei; Xu, Wenhua; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Assembly of metallo-macrocycles through reductive C–C coupling of alkylnitriles by an Mg–Mg-bonded compound","Dalton Transactions","2022","","","","","10.1039/D2DT00181K","","","0.71073","MoKα","","0.1072","0.0774","","","0.2141","0.2373","","","","","","1.041","","","","has coordinates","273044","2022-02-19","23:49:24",""
"7709584","29.376","0.008","21.502","0.006","23.225","0.007","90","","95.674","0.01","90","","14598","7","150","2","150.18","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C138 H219 K3 Mg3 N12 O6 -","- C138 H219 K3 Mg3 N12 O6 -","- C552 H876 K12 Mg12 N48 O24 -","4","1","","Xue, Yujie; Wang, Jijiang; Shi, Yalei; Xu, Wenhua; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Assembly of metallo-macrocycles through reductive C–C coupling of alkylnitriles by an Mg–Mg-bonded compound","Dalton Transactions","2022","","","","","10.1039/D2DT00181K","","","0.71073","MoKα","","0.061","0.0544","","","0.1515","0.1579","","","","","","1.054","","","","has coordinates","273044","2022-02-19","23:49:25",""
"7709685","12.8858","0.001","22.887","0.0017","17.1739","0.0012","90","","92.581","0.002","90","","5059.7","0.6","273.15","","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H66 Bi2 Cl9 N3 -","- C39 H66 Bi2 Cl9 N3 -","- C156 H264 Bi8 Cl36 N12 -","4","1","","Wu, Jia-Jing; Guo, Yue; Yao, Wen-Dong; Liu, Wen-Long; Guo, Sheng-Ping","Symmetry breaking of A3M2X9-type perovskite derivatives induced by polar quaternary ammonium cations: achieving efficient nonlinear optical properties","Dalton Transactions","2022","","","","","10.1039/D2DT00451H","","","0.71073","MoKα","","0.0461","0.0302","","","0.0469","0.0502","","","","","","0.953","","","","has coordinates","273539","2022-03-08","23:49:59",""
"7709700","26.1042","0.0019","13.5893","0.001","19.3988","0.0014","90","","112.368","0.002","90","","6363.7","0.8","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H15 Au F3 N O2 -","- C17 H15 Au F3 N O2 -","- C272 H240 Au16 F48 N16 O32 -","16","4","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0563","0.0281","","","0.0542","0.0633","","","","","","0.948","","","","has coordinates","273574","2022-03-09","23:54:52",""
"7709873","18.2365","0.0009","10.0331","0.0005","27.3093","0.0015","90","","99.229","0.005","90","","4932.1","0.4","100","0.3","100","0.3","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C47 H30 B2 Cl2 F20 Fe N4 O3 -","- C47 H30 B2 Cl2 F20 Fe N4 O3 -","- C188 H120 B8 Cl8 F80 Fe4 N16 O12 -","4","1","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0977","0.0918","","","0.2478","0.2597","","","","","","1.021","","","","has coordinates","274146","2022-03-30","23:12:28",""
"7709924","7.1296","0.0004","21.1133","0.0015","13.1118","0.0009","90","","91.917","0.006","90","","1972.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H12 Cl5 Dy N4 -","- C14 H12 Cl5 Dy N4 -","- C56 H48 Cl20 Dy4 N16 -","4","1","","Xi, Jing; Cen, Peipei; Guo, Yan; Li, Yuzhu; Qin, Yuanyuan; Zhang, Yi-Quan; Song, Weiming; Liu, Xiangyu","Reversible on-off switching of Dy(III) single-molecule magnets via single-crystal-to-single-crystal transformation","Dalton Transactions","2022","","","","","10.1039/D2DT00501H","","","0.71073","MoKα","","0.0415","0.0376","","","0.0783","0.0822","","","","","","1.042","","","","has coordinates","274363","2022-04-05","23:08:25",""
"7709950","21.4779","0.0015","17.9763","0.0011","15.7348","0.0011","90","","125.385","0.002","90","","4952.9","0.6","120","2","120","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C48 H44 Au2 B Cl5 Cu2 F4 Fe2 P2 -","- C46 H40 Au2 B Cl3 Cu2 F4 Fe2 P2 -","- C184 H160 Au8 B4 Cl12 Cu8 F16 Fe8 P8 -","4","1","","Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr","Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00850e","","","0.71073","MoKα","","0.0133","0.0132","","","0.0325","0.0325","","","","","","1.023","","","","has coordinates,has disorder","274441","2022-04-08","23:03:34",""
"7709990","11.2643","0.0008","12.9129","0.0009","9.905","0.0007","90","","92.136","0.002","90","","1439.73","0.18","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","HMN","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Yadav, Pranjalee; Gond, Sarita; Shekher, Anusmita; Gupta, Subash Chandra; Singh, Udai P.; Singh, Vinod Prasad","A multifunctional basic pH indicator probe for distinguishable detection of Co2+, Cu2+ and Zn2+ with its utility in mitotracking and monitoring cytoplasmic viscosity in apoptotic cells","Dalton Transactions","2022","","","","","10.1039/D2DT00286H","","","0.71073","MoKα","","0.0751","0.0508","","","0.1066","0.1232","","","","","","1.075","","","","has coordinates","274460","2022-04-11","23:15:02",""
"7710137","18.7108","0.0011","17.4002","0.0011","26.3343","0.0016","90","","90.686","0.003","90","","8573.1","0.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H112 Bi2 Cu2 I16 N8 -","- C48 H112 Bi2 Cu2 I16 N8 -","- C192 H448 Bi8 Cu8 I64 N32 -","4","1","","Ren , Rui-Ying; Su, Chang-Yuan; Shao , Ting; Zhang, Zhixu; Huang, Pei-Zhi; Zhang, Yi; Jia, Qiang-Qiang; Fu, Da-Wei","Dehydration-activated structural phase transition in a two-dimensional hybrid double perovskite","Dalton Transactions","2022","","","","","10.1039/D2DT00991A","","","0.71073","MoKα","","0.0934","0.0724","","","0.1503","0.1616","","","","","","1.057","","","","has coordinates,has disorder","274813","2022-05-02","23:13:48",""
"7710167","8.0766","0.0002","11.3089","0.0002","11.7413","0.0003","90","","90.687","0.002","90","","1072.34","0.04","100","0.1","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetrachloro(1,2-dimethoxyethane)tungsten(IV)","","- C4 H10 Cl4 O2 W -","- C4 H10 Cl4 O2 W -","- C16 H40 Cl16 O8 W4 -","4","1","","Shaw, Thomas E.; Diethrich, Timothy J. J.; Stern, Charlotte L.; Scott, Brian; Jurca, Titel; Gilbert, Thomas M.; Sattelberger, Alfred P.","Synthesis, Characterization, X-ray and Electronic Structures of Diethyl Ether and 1,2-Dimethoxyethane Adducts of Molybdenum(IV) Chloride and Tungsten(IV) Chloride","Dalton Transactions","2022","","","","","10.1039/D2DT00787H","","x-ray","0.71073","MoKα","","0.0236","0.0224","","","0.0555","0.0558","","","","","","1.052","","","","has coordinates","274820","2022-05-02","23:25:10",""
"7710169","8.0686","0.0005","11.3057","0.0006","11.6997","0.0006","90","","90.519","0.005","90","","1067.22","0.1","100","0.1","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetrachloro(1,2-dimethoxyethane)molybdenum(IV)","","- C4 H10 Cl4 Mo O2 -","- C4 H10 Cl4 Mo O2 -","- C16 H40 Cl16 Mo4 O8 -","4","1","","Shaw, Thomas E.; Diethrich, Timothy J. J.; Stern, Charlotte L.; Scott, Brian; Jurca, Titel; Gilbert, Thomas M.; Sattelberger, Alfred P.","Synthesis, Characterization, X-ray and Electronic Structures of Diethyl Ether and 1,2-Dimethoxyethane Adducts of Molybdenum(IV) Chloride and Tungsten(IV) Chloride","Dalton Transactions","2022","","","","","10.1039/D2DT00787H","","x-ray","0.71073","MoKα","","0.0418","0.0372","","","0.0987","0.1093","","","","","","1.166","","","","has coordinates","274820","2022-05-02","23:25:11",""
"7710234","18.1257","0.0001","23.6945","0.0001","35.2661","0.0001","90","","91.41","0.001","90","","15141.5","0.11","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C82.5 H118 N6 Si2 -","- C82.5 H118 N6 Si2 -","- C660 H944 N48 Si16 -","8","2","","Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron","Facile activation of inert small molecules using a 1,2-disilylene","Dalton Transactions","2022","","","","","10.1039/D2DT00721E","","","1.54178","CuKα","","0.0387","0.0387","","","0.1053","0.1054","","","","","","1.019","","","","has coordinates,has disorder","275310","2022-05-10","22:54:19",""
"7710451","7.4771","0.001","26.631","0.004","11.1219","0.0014","90","","107.701","0.002","90","","2109.8","0.5","120","","120","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H27 Cl2 N3 O S2 Zn -","- C17 H27 Cl2 N3 O S2 Zn -","- C68 H108 Cl8 N12 O4 S8 Zn4 -","4","1","","Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.","Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01339H","","","0.71073","MoKα","","0.024","0.0224","","","0.0519","0.0526","","","","","","1.048","","","","has coordinates","275932","2022-06-08","23:00:06",""
"7710569","12.9059","0.0019","12.9355","0.0018","15.837","0.002","90","","98.736","0.002","90","","2613.2","0.6","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Os(2,5-xylyl)4","tetrakis(2,5-dimethylphenyl)osmium(IV)","","- C32 H36 Os -","- C32 H36 Os -","- C128 H144 Os4 -","4","1","","Parr, Joseph Michael; Olivar, Clarissa; Saal, Thomas; Haiges, Ralf; Inkpen , Michael Stephen","Pushing steric limits in osmium(IV) tetraaryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01706G","","","0.71073","MoKα","","0.0268","0.0221","","","0.0406","0.0416","","","","","","0.952","","","","has coordinates","276210","2022-06-23","23:14:31",""
"7710590","9.2411","0.0003","16.5508","0.0004","22.7081","0.0008","90","","94.612","0.003","90","","3461.9","0.19","273","0.2","273","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H40 Cr Mn N O21 -","- C24 H40 Cr Mn N O21 -","- C96 H160 Cr4 Mn4 N4 O84 -","4","1","","WU, Jiabing; Huang, Rui-Kang; Takahashi, Kiyonori; Nakamura, Takayoshi","Solvent Dependence of Crystal Structure and Dielectric Relaxation in Ferromagnetic [MnCr(oxalate)3]− Salt","Dalton Transactions","2022","","","","","10.1039/D2DT01615J","","x-ray","0.71073","MoKα","","0.0653","0.0519","","","0.125","0.1308","","","","","","1.064","","","","has coordinates,has disorder","276213","2022-06-23","23:19:45",""
"7710643","20.2041","0.0008","10.0613","0.0007","20.8767","0.0011","90","","115.022","0.003","90","","3845.5","0.4","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H64 Al3 N5 O -","- C36 H64 Al3 N5 O -","- C144 H256 Al12 N20 O4 -","4","1","","Lara, Agustin; Castro-Osma, José Antonio; North, Michael; Gaona, Miguel Ángel; de la Cruz-Martínez, Felipe; Rodríguez, Ana María; Caballero Espinosa, María del Prado; Francés-Poveda, Enrique; Rodríguez Diéguez, Antonio","Closing the loop in the synthesis of heteroscorpionate-based aluminium helicates. Catalytic studies for cyclic carbonate synthesis.","Dalton Transactions","2022","","","","","10.1039/D2DT01645A","","","0.71069","MoKα","","0.0484","0.0399","","","0.0932","0.0972","","","","","","1.032","","","","has coordinates","276419","2022-06-29","23:04:21",""
"7710651","11.1141","0.0002","14.5456","0.0003","16.2","0.0003","90","","94.318","0.001","90","","2611.48","0.09","100","0.1","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H39 Cl3 N O V -","- C24 H39 Cl3 N O V -","- C96 H156 Cl12 N4 O4 V4 -","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","","0.0523","0.0517","","","0.1421","0.1426","","","","","","1.096","","","","has coordinates","276491","2022-07-01","22:52:41",""
"7711066","10.7286","0.0006","16.4945","0.001","8.178","0.0006","90","","100.394","0.007","90","","1423.45","0.16","93.15","","93.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H11 As O S2 -","- C15 H11 As O S2 -","- C60 H44 As4 O4 S8 -","4","1","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.0261","0.0253","","","0.0668","0.0672","","","","","","1.05","","","","has coordinates","277403","2022-08-25","22:49:37",""
"7711076","22.0808","0.0008","9.694","0.0002","16.2226","0.0006","90","","99.086","0.003","90","","3428.9","0.19","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H27 I9 S3 Sb2 -","- C9 H27 I9 S3 Sb2 -","- C36 H108 I36 S12 Sb8 -","4","1","","Möbs, Jakob; Pan, Sudip; Tonner-Zech, Ralf; Heine, Johanna","[SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap","Dalton Transactions","2022","","","","","10.1039/D2DT02305A","","","0.71073","MoKα","","0.0442","0.0335","","","0.0763","0.0795","","","","","","0.945","","","","has coordinates","277416","2022-08-26","23:39:28",""
"7711105","21.251","0.004","18.683","0.004","12.23","0.002","90","","108.06","0.03","90","","4616.5","1.7","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H76 N O4 Ti -","- C49 H76 N O4 Ti -","- C196 H304 N4 O16 Ti4 -","4","1","","Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja","Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01739C","","x-ray","1.54178","CuKα","","0.0748","0.0692","","","0.1735","0.1988","","","","","","1.056","","","","has coordinates,has disorder","277515","2022-08-31","23:00:16",""
"7711112","5.6936","0.0001","12.0266","0.0003","17.6197","0.0004","90","","90.867","0.001","90","","1206.36","0.05","100","","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H10 Er N7 O8 -","- C6 H10 Er N7 O8 -","- C24 H40 Er4 N28 O32 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.54178","CuKα","","0.0244","0.0244","","","0.0592","0.0592","","","","","","1.132","","","","has coordinates","277567","2022-09-01","22:54:43",""
"7711116","5.6782","0.0002","12.0332","0.0004","17.554","0.0006","90","","90.652","0.002","90","","1199.33","0.07","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H10 N7 O8 Yb -","- C6 H10 N7 O8 Yb -","- C24 H40 N28 O32 Yb4 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.54178","CuKα","","0.0206","0.0204","","","0.0509","0.051","","","","","","1.08","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711117","5.7138","0.0003","12.1155","0.0007","17.6748","0.001","90","","91.136","0.002","90","","1223.31","0.12","298","","298.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H10 Ho N7 O8 -","- C6 H10 Ho N7 O8 -","- C24 H40 Ho4 N28 O32 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.54178","CuKα","","0.0278","0.0274","","","0.0691","0.0695","","","","","","1.06","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711121","7.691","0.006","20.655","0.013","7.418","0.005","90","","120.89","0.02","90","","1011.3","1.2","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Ba2 F3 I O9 W2 -","- Ba2 F3 I O9 W2 -","- Ba8 F12 I4 O36 W8 -","4","1","","Hou, Ying; Li, Hongyi; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba2[WO3F(IO3)][WO3F2]: The First Polar Fluorinated Tungsten Iodate Featuring the Direct W-O-I Bond","Dalton Transactions","2022","","","","","10.1039/D2DT02085H","","","0.71073","MoKα","","0.0412","0.0346","","","0.0571","0.0597","","","","","","1.046","","","","has coordinates","277568","2022-09-01","22:56:21",""
"7711312","28.7888","0.0014","12.5327","0.0009","18.875","0.0018","90","","114.089","0.005","90","","6217","0.8","150","2","150.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62 H70 F12 N8 O2 P2 Ru -","- C62 H70 F12 N8 O2 P2 Ru -","- C248 H280 F48 N32 O8 P8 Ru4 -","4","1","","Lämmle, Martin; Pilz, T. David; Kutta, Roger Jan; Müßler, Marius; Mengele, Alexander K.; Görls, Helmar; Heinemann, Frank W.; Rau, Sven","Insights into the different mechanistic stages of light-induced hydrogen evolution of a 5,5′-bisphenanthroline linked RuPt complex","Dalton Transactions","2022","","","","","10.1039/D2DT01727J","","","0.71073","MoKα","","0.0473","0.0346","","","0.0732","0.0781","","","","","","1.017","","","","has coordinates,has disorder","278052","2022-09-21","22:45:06",""
"7711574","14.3574","0.0003","32.393","0.0007","9.8045","0.0002","90","","102.31","0.0008","90","","4455.04","0.16","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","borataphenanthrene Mo(CO)3 complex","","","- C46 H48 B Cl2 K Mo O9 Si -","- C46 H48 B Cl2 K Mo O9 Si -","- C184 H192 B4 Cl8 K4 Mo4 O36 Si4 -","4","1","","Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel","Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02795J","","","0.71073","MoKα","","0.0194","0.019","","","0.0593","0.0596","","","","","","1.191","","","","has coordinates","278838","2022-10-27","22:51:28",""
"7711576","14.3661","0.0004","32.3267","0.0008","9.8108","0.0002","90","","102.329","0.001","90","","4451.14","0.19","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","borataphenanthrene W(CO)3 complex","","","- C46 H48 B Cl2 K O9 Si W -","- C46 H48 B Cl2 K O9 Si W -","- C184 H192 B4 Cl8 K4 O36 Si4 W4 -","4","1","","Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel","Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02795J","","","0.71073","MoKα","","0.0268","0.0248","","","0.0706","0.0714","","","","","","1.186","","","","has coordinates","278838","2022-10-27","22:51:30",""
"7711782","11.218","0.0003","19.4971","0.0004","22.9165","0.0005","90","","99.516","0.002","90","","4943.3","0.2","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C46 H54 Fe I N7 P2 Ru S2 -","- C46 H54 Fe I N7 P2 Ru S2 -","- C184 H216 Fe4 I4 N28 P8 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0242","0.0226","","","0.0549","0.0554","","","","","","1.017","","","","has coordinates","279335","2022-11-17","00:00:49",""
"7711874","12.5282","0.0006","29.0665","0.0014","15.1236","0.0008","90","","92.893","0.0017","90","","5500.3","0.5","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62 H42 F6 Ir N6 P S2 -","- C62 H42 F6 Ir N6 P S2 -","- C248 H168 F24 Ir4 N24 P4 S8 -","4","1","","He, Ping; Chen, Yan; Li, Xiao-Na; Yan, Ying-Ying; Liu, Chun","AIPE-active cationic Ir(III) complexes for efficient detection of 2,4,6-trinitrophenol and oxygen.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","128","135","10.1039/d2dt03537e","","","0.71073","MoKα","","0.0374","0.0305","","","0.063","0.0645","","","","","","1.022","","","","has coordinates","283229","2023-05-05","01:38:39",""
"7711885","18.9631","0.0017","10.3876","0.001","40.329","0.004","90","","96.829","0.002","90","","7887.7","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H66 Li3 Si6 Y -","- C24 H66 Li3 Si6 Y -","- C192 H528 Li24 Si48 Y8 -","8","2","","Mortis, Alexandros; Kracht, Felix; Berger, Tassilo; Lebon, Jakob; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metal trimethylsilylmethyl ate complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","44","51","10.1039/d2dt03491c","","","0.71073","MoKα","","0.0685","0.0433","","","0.0795","0.0875","","","","","","0.884","","","","has coordinates","283228","2023-05-05","01:38:20",""
"7712068","12.9908","0.0013","14.8857","0.0013","17.3507","0.0018","90","","95.318","0.008","90","","3340.8","0.6","293","2","293","2","","","","","","","slow diffusion of diethyl ether into MeCN solutions","6","C 1 c 1","C -2yc","9","","","","- C20 H32 Br4 Fe4 N2 S4 -","- C20 H32 Br4 Fe4 N2 S4 -","- C80 H128 Br16 Fe16 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0682","0.051","","","0.1306","0.1494","","","","","","1.087","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712069","13.0899","0.0004","14.6471","0.0004","17.4361","0.0005","90","","96.225","0.003","90","","3323.3","0.17","173","2","173.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Cl1.76 Fe4 I2.24 N2 S4 -","- C20 H32 Cl1.762 Fe4 I2.237 N2 S4 -","- C80 H128 Cl7.048 Fe16 I8.948 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.039","0.0302","","","0.0488","0.0528","","","","","","1.003","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712070","12.8775","0.0005","14.714","0.0006","17.3223","0.0007","90","","95.142","0.003","90","","3269","0.2","293","2","293","2","","","","","","","slow diffusion of diethyl ether into MeCN solutions","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Br2.09 Cl1.91 Fe4 N2 S4 -","- C20 H32 Br2.093 Cl1.907 Fe4 N2 S4 -","- C80 H128 Br8.372 Cl7.628 Fe16 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0493","0.0446","","","0.1171","0.1212","","","","","","1.074","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712071","13.21","0.001","14.957","0.001","17.513","0.002","90","","96.118","0.008","90","","3440.5","0.5","293","2","293","2","","","","","","","slow diffusion of diethyl ether into MeCN solutions","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Br2.13 Fe4 I1.87 N2 S4 -","- C20 H32 Br2.126 Fe4 I1.874 N2 S4 -","- C80 H128 Br8.504 Fe16 I7.496 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0439","0.0365","","","0.0892","0.096","","","","","","1.062","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712072","12.79122","0.00018","14.6187","0.0002","17.1838","0.0002","90","","94.8717","0.0013","90","","3201.61","0.07","173","2","173.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Br2 Cl2 Fe4 N2 S4 -","- C20 H32 Br1.999 Cl2 Fe4 N2 S4 -","- C80 H128 Br7.996 Cl8 Fe16 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0378","0.0288","","","0.0484","0.051","","","","","","1.043","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712073","13.1754","0.0003","14.734","0.0004","17.5672","0.0004","90","","96.3025","0.0019","90","","3389.65","0.14","293","2","293","2","","","","","","","slow diffusion of diethyl ether into MeCN solutions","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Cl1.65 Fe4 I2.35 N2 S4 -","- C20 H32 Cl1.653 Fe4 I2.347 N2 S4 -","- C80 H128 Cl6.612 Fe16 I9.388 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.1003","0.0493","","","0.0982","0.1275","","","","","","1.036","","","","has coordinates,has disorder","287939","2023-12-01","16:52:17",""
"7712075","13.0906","0.0003","14.8245","0.0003","17.3176","0.0004","90","","95.942","0.002","90","","3342.62","0.13","173","2","173.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H32 Br2 Fe4 I2 N2 S4 -","- C20 H32 Br2 Fe4 I2 N2 S4 -","- C80 H128 Br8 Fe16 I8 N8 S16 -","4","1","","Schüren, Andreas O.; Ridgway, Benjamin M.; Di Salvo, Florencia; Carella, Luca M.; Gramm, Verena K.; Metzger, Elisa; Doctorovich, Fabio; Rentschler, Eva; Schünemann, Volker; Ruschewitz, Uwe; Klein, Axel","Structural insight into halide-coordinated [Fe4S4XnY4−n]2− clusters (X, Y = Cl, Br, I) by XRD and Mössbauer spectroscopy","Dalton Transactions","2023","52","5","1277","1290","10.1039/D2DT03203A","","","0.71073","MoKα","","0.0305","0.0237","","","0.0399","0.0421","","","","","","1.045","","","","has coordinates","282621","2023-04-13","12:20:54",""
"7712204","18.2892","0.0003","24.9311","0.0005","10.3706","0.0002","90","","106.447","0.0007","90","","4535.2","0.15","90","","90","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C53 H39 F2 Fe4 O6 -","- C53 H39 F2 Fe4 O6 -","- C212 H156 F8 Fe16 O24 -","4","1","","Resendiz-Lara, Diego A; Rosas-Sánchez, Alfredo; Hashizume, Daisuke; Barquera-Lozada, José E; Toscano, R. Alfredo; López-Cortés, José G; Ortega-Alfaro, M Carmen","Synthesis of (μ<sup>2</sup>,η<sup>3</sup>-allyl-η<sup>5</sup>-oxapentadienyl)diiron pentacarbonyl complexes, an unusual reaction product from η<sup>4</sup>-(vinylketene)Fe(CO)<sub>3</sub> complexes: structure and electron density distribution analysis.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2722","2734","10.1039/d2dt03700a","","","0.71073","MoKα","","0.0397","0.0278","","","","0.0491","","","","","","1.6353","","","","has coordinates","283221","2023-05-05","01:35:13",""
"7712205","18.2892","0.0003","24.9311","0.0005","10.3706","0.0002","90","","106.447","0.0007","90","","4535.2","0.15","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C53 H39 F2 Fe4 O6 -","- C53 H39 F2 Fe4 O6 -","- C212 H156 F8 Fe16 O24 -","4","1","","Resendiz-Lara, Diego A; Rosas-Sánchez, Alfredo; Hashizume, Daisuke; Barquera-Lozada, José E; Toscano, R. Alfredo; López-Cortés, José G; Ortega-Alfaro, M Carmen","Synthesis of (μ<sup>2</sup>,η<sup>3</sup>-allyl-η<sup>5</sup>-oxapentadienyl)diiron pentacarbonyl complexes, an unusual reaction product from η<sup>4</sup>-(vinylketene)Fe(CO)<sub>3</sub> complexes: structure and electron density distribution analysis.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2722","2734","10.1039/d2dt03700a","","","0.71073","MoKα","","0.055","0.0348","","","0.0788","0.0869","","","","","","1.008","","","","has coordinates,has disorder","283221","2023-05-05","01:35:13",""
"7712207","20.4211","0.0009","21.4617","0.0008","14.8276","0.0006","90","","90.481","0.003","90","","6498.3","0.5","273","0.1","273","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H64 Cs4 I12 N8 -","- C28 H64 Cs4 I12 N8 -","- C112 H256 Cs16 I48 N32 -","4","1","","Wang, Ze-Jie; Wu, Ling-Kun; Wang, Na; Hu, Qian-Qian; Li, Jian-Rong; Ye, Heng-Yun","Tuning the luminescent properties of a three-dimensional perovskite ferroelectric (Me-Hdabco)CsI<sub>3</sub><i>via</i> Sn(II) doping.","Dalton transactions (Cambridge, England : 2003)","2023","52","9","2799","2803","10.1039/d2dt03939g","","x-ray","0.71073","MoKα","","0.0654","0.0527","","","0.1507","0.158","","","","","","1.085","","","","has coordinates","283352","2023-05-05","02:43:56",""
"7712534","13.1029","0.0004","18.5099","0.0006","7.723","0.0002","90","","90.067","0.003","90","","1873.08","0.1","100","1","100","1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C12 H25 Cl F N7 O3 Zn -","- C12 H25 Cl F N7 O3 Zn -","- C48 H100 Cl4 F4 N28 O12 Zn4 -","4","1","","Hajibabaei, Farshid; Sanei Movafagh, Samaneh; Salehzadeh, Sadegh; Gable, Robert William","A tris(2-aminoethyl)amine-based zinc complex as a highly water-soluble drug carrier for the anti-COVID-19 drug favipiravir: a joint experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00256j","","x-ray","0.71073","MoKα","","0.0193","0.0183","","","0.0455","0.0461","","","","","","1.04","","","","has coordinates","281718","2023-03-08","00:01:24",""
"7712757","11.1032","0.0002","16.9744","0.0003","14.8699","0.0002","90","","100.215","0.001","90","","2758.11","0.08","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H48 Al N -","- C30 H48 Al N -","- C120 H192 Al4 N4 -","4","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","1.54184","CuKα","","0.029","0.0285","","","0.0757","0.0762","","","","","","1.046","","","","has coordinates","282602","2023-04-11","23:05:07",""
"7712835","18.8023","0.0014","16.3214","0.0013","11.9698","0.0009","90","","94.187","0.003","90","","3663.5","0.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4a","","- C26 H58 Fe Si8 -","- C26 H58 Fe Si8 -","- C104 H232 Fe4 Si32 -","4","1","","Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz","Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01133J","","","0.71073","MoKα","","0.045","0.0397","","","0.1088","0.1154","","","","","","0.813","","","","has coordinates","282755","2023-04-19","23:57:19",""
"7713085","44.559","0.002","11.8743","0.0006","31.6316","0.0016","90","","122.151","0.002","90","","14169.9","1.2","150","2","150.02","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52.34 H24.66 Cl2.66 F10 N6 Pd -","- C51 H22 F10 N6 Pd -","- C612 H264 F120 N72 Pd12 -","12","3","","Martin, Maxwell I.; Pham, Trong-Nhan; Ward, Kaytlin N.; Rice, Anthony T.; Hertler, Phoebe R.; Yap, Glenn P. A.; Gilmartin, Philip H.; Rosenthal, Joel","Mapping the influence of ligand electronics on the spectroscopic and <sup>1</sup>O<sub>2</sub> sensitization characteristics of Pd(II) biladiene complexes bearing phenyl-alkynyl groups at the 2- and 18-positions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00691c","","","0.71073","MoKα","","0.0704","0.0469","","","0.1044","0.1144","","","","","","1.01","","","","has coordinates","283878","2023-05-18","23:05:24",""
"7713115","29.1631","0.0006","11.2974","0.0002","13.8266","0.0003","90","","114.072","0.002","90","","4159.24","0.16","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Ge-bridged diazulenylmethyl cation","","","- C23 H19 F6 Ge P -","- C23 H19 F6 Ge P -","- C184 H152 F48 Ge8 P8 -","8","2","","Murai, Masahito; Ito, Mako; Takahashi, Satoshi; Yamaguchi, Shigehiro","Germanium- and Tin-Bridged Diazulenylmethyl Cations: Effects of the Group 14 Element on the Structure and Properties of the π-Extended Cation","Dalton Transactions","2023","","","","","10.1039/D3DT01491F","","","0.4129","synchrotron","","0.048","0.0442","","","0.0956","0.0972","","","","","","1.06","","","","has coordinates","283946","2023-05-22","22:50:29",""
"7713215","3.6637","0.0001","24.878","0.0005","12.5043","0.0003","90","","93.182","0.001","90","","1137.95","0.05","193","","193","","","","","","","","","4","C 1 c 1","C -2yc","9","","123","","- C3 H12 N12 O5 -","- C3 H12 N12 O5 -","- C12 H48 N48 O20 -","4","1","","Yin, Zhaoyang; Hu, Lijincao; Huang, Wei; Liu, Yuji; Tang, Yongxing","Triazole-Induced Planarization of A Twisted Tetrazole-based Molecule towards Energetic Materials With Improved Thermostability and Insensitivity","Dalton Transactions","2023","","","","","10.1039/D3DT01416A","","","1.54184","CuKα","","0.0248","0.0243","","","0.0592","0.0597","","","","","","1.091","","","","has coordinates","284105","2023-05-31","22:51:31",""
"7713279","22.6659","0.0011","14.3702","0.0006","32.8411","0.0015","90","","93.76","0.002","90","","10673.8","0.8","100","","100","","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C103.5 H125 Cl3 Cu2 F6 N6 O12.5 P6 Ru2 S2 -","- C103.501 H125.004 Cl3 Cu2 F6 N6 O12.501 P6 Ru2 S2 -","- C414.004 H500.016 Cl12 Cu8 F24 N24 O50.004 P24 Ru8 S8 -","4","1","","Alguacil, Andrés; Scalambra, Franco; Lorenzo Luiz, Pablo; Puerta, Adrián; González-Bakker , Aday; Mendoza, Zenaida; Padrón, José M.; Romerosa-Nievas, Antonio Manuel","Tetranuclear Ru2Cu2 and Ru2Ni2 complexes with nanomolar anticancer activity","Dalton Transactions","2023","","","","","10.1039/D3DT01284K","","x-ray","0.71073","MoKα","","0.0712","0.0577","","","0.1237","0.132","","","","","","1.083","","","","has coordinates,has disorder","284618","2023-06-29","10:55:55",""
"7713418","22.0344","0.0002","37.8184","0.0003","40.5275","0.0004","90","","98.004","0.001","90","","33442.8","0.5","100","0.1","100.15","","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C300 H216 Ag25.08 Cl6 Cu3.92 F24 Fe6 P12 Sb2 -","- C300 H216 Ag25.08 Cl6 Cu3.92 F24 Fe6 P12 Sb2 -","- C1200 H864 Ag100.32 Cl24 Cu15.68 F96 Fe24 P48 Sb8 -","4","1","","Wang, Meng; Li, Simin; Chen, Hui Jun; Sun, Xueli; Sun, Jing; jia, yanyuan; Guo, Shuo; SUN, Cunfa; Shen, Hui","DppfCuBH4: new reducing agents for the synthesis of ferrocene-functionalized metal nanoclusters","Dalton Transactions","2023","","","","","10.1039/D3DT01461D","","","1.54184","CuKα","","0.1064","0.0939","","","0.2349","0.2474","","","","","","1.11","","","","has coordinates,has disorder","285091","2023-07-07","22:54:38",""
"7713487","22.6051","0.0012","28.2889","0.0003","12.948","0.0007","90","","148.017","0.013","90","","4385.6","1.6","100","0.1","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H54 Br4 N4 Pt -","- C46 H54 Br4 N4 Pt -","- C184 H216 Br16 N16 Pt4 -","4","1","","Khan, Amran; Gobeze, Habtom B.; Islam, Tanjila; Arman, Hadi; Schanze, Kirk","Effect of Bromine Substitution on Blue Phosphorescent trans-(N-Heterocyclic Carbene)Pt(II) Acetylide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01483E","","","1.54184","CuKα","","0.04","0.0399","","","0.1054","0.1055","","","","","","1.0468","","","","has coordinates","285267","2023-07-18","22:51:46",""
"7713582","10.2743","0.0012","25.414","0.003","18.9605","0.0017","90","","93.233","0.004","90","","4942.9","0.9","150","","150","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C47 H44 F6 Fe N6 O6 P2 S2 -","- C47 H44 F6 Fe N6 O6 P2 S2 -","- C188 H176 F24 Fe4 N24 O24 P8 S8 -","4","1","","Tannoux, Thibault; Mazaud, Louis; Cheisson, Thibault; Casaretto, Nicolas; Auffrant, Audrey","FeII complexes supported by an Iminophosphorane ligand: Synthesis and Reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT00950E","","","0.71073","MoKα","","0.0781","0.0515","","","0.1131","0.127","","","","","","1.046","","","","has coordinates","285377","2023-07-28","22:54:53",""
"7713724","8.8814","0.0006","22.8613","0.0013","12.7791","0.0009","90","","109.276","0.005","90","","2449.2","0.3","100","","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C21 H21 Cl F6 N3 O P Ru S -","- C21 H21 Cl F6 N3 O P Ru S -","- C84 H84 Cl4 F24 N12 O4 P4 Ru4 S4 -","4","1","","Křikavová, Radka; Romanovová, Michaela; Jendželovská, Zuzana; Majerník, Martin; Masaryk, Lukáš; Zoufalý, Pavel; Milde, David; Moncol, Jan; Herchel, Radovan; Jedželovský, Rastislav; Nemec, Ivan","Impact of central atom and halido ligand on structure, antiproliferative activity and selectivity of half-sandwich Ru(II) and Ir(III) complexes with a 1,3,4-thiadiazole-based ligand.","Dalton Transactions","2023","","","","","10.1039/D3DT01696J","","","1.54186","CuKα","","0.0506","0.0414","","","0.0828","0.0842","","","","","","0.895","","","","has coordinates","285631","2023-08-11","22:55:14",""
"7713751","21.7849","0.0004","15.7021","0.0004","10.5287","0.0003","90","","112.132","0.0011","90","","3336.18","0.14","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C26 H30 Br4 Mn N2 O5 S3 -","- C26 H30 Br4 Mn N2 O5 S3 -","- C104 H120 Br16 Mn4 N8 O20 S12 -","4","1","","Mudarmah, Khalil; Bagale, Bijaya; Chen, Guanyu; Krause, Jeanette; Mighion, Jeffrey D.; Huang, Songping D.","Harnessing the Dual Antimicrobial Mode of Action with a Lipophilic Mn(II) Complex Using the Principle of the Irving-Williams Series to Completely Eradicate Staphylococcus aureus","Dalton Transactions","2023","","","","","10.1039/D3DT01904G","","","0.71073","MoKα","","0.0294","0.0237","","","0.0488","0.05","","","","","","0.982","","","","has coordinates","285796","2023-08-16","22:57:32",""
"7713904","8.571","0.0002","15.1144","0.0004","28.7712","0.0007","90","","92.304","0.002","90","","3724.17","0.16","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Na11 O43 P7 Ta8 -","- Na11 O43 P7 Ta8 -","- Na44 O172 P28 Ta32 -","4","1","","Lv, ZY; Li, Ru-Kang","Na11Ta8P7O43: (Ta8O33) bi-capped triangular prisms connected by PO4 groups resulting in phase-matched second harmonic response","Dalton Transactions","2023","","","","","10.1039/D3DT02207B","","","0.71073","MoKα","","0.0259","0.0244","","","0.0505","0.051","","","","","","1.025","","","","has coordinates","286250","2023-09-06","22:51:35",""
"7713995","11.7382","0.0005","25.0335","0.0013","15.6517","0.0006","90","","105.334","0.003","90","","4435.5","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H19 Au2 F20 N3 Pb -","- C46 H19 Au2 F20 N3 Pb -","- C184 H76 Au8 F80 N12 Pb4 -","4","1","","Moreno, Sonia; Royo, David; El Hachimi, Abdel Ghafour; Rodríguez-Castillo, María; Monge, Miguel; Olmos, Maria Elena; López-de-Luzuriaga, José Maria","Vapochromic Behaviour of a Gold(I)-Lead(II) complex as a VOC sensor","Dalton Transactions","2023","","","","","10.1039/D3DT02000B","","","0.71073","MoKα","","0.0566","0.0435","","","0.086","0.091","","","","","","1.002","","","","has coordinates","286453","2023-09-21","22:53:44",""
"7714032","26.0601","0.0005","13.0041","0.0002","18.7072","0.0003","90","","117.471","0.001","90","","5624.82","0.17","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C53 H89 Cs N2 O12 -","- C53 H89 Cs N2 O12 -","- C212 H356 Cs4 N8 O48 -","4","1","","Videa, Hellen; Martínez-Martínez, Antonio J","Revealing unbound β-diketiminate anions: structural dynamics from caesium complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","37","13058","13062","10.1039/d3dt01592k","","","0.71073","MoKα","","0.0374","0.0283","","","0.0714","0.0771","","","","","","1.076","","","","has coordinates,has disorder","286548","2023-09-26","23:07:43",""
"7714171","11.677","0.002","21.878","0.004","15.393","0.003","90","","111.64","0.03","90","","3655.3","1.4","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H28 B2 Cl2 P2 Pt -","- C10 H28 B2 Cl2 P2 Pt -","- C80 H224 B16 Cl16 P16 Pt8 -","8","2","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0587","0.0534","","","0.1328","0.1361","","","","","","1.074","","","","has coordinates","286882","2023-10-10","22:56:03",""
"7714242","24.9696","0.0016","37.384","0.003","18.0414","0.0011","90","","133.598","0.002","90","","12196.2","1.5","297","","297","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C68 H68 B2 Co N6 -","- C68 H68 B2 Co N6 -","- C544 H544 B16 Co8 N48 -","8","2","","C S, Akshaya Keerthi; Das, Sandip; kulbir, Kulbir; Bhardwaj, Prabhakar; Sk, Md Palashuddin; Kumar, Pankaj","Mechanistic Insights of Nitric Oxide Oxygenation (NOO) Reactions of {CrNO}5 & {CoNO}8","Dalton Transactions","2023","","","","","10.1039/D3DT03177B","","","0.71073","MoKα","","0.0588","0.0486","","","0.1328","0.1424","","","","","","1.038","","","","has coordinates","287011","2023-10-17","22:56:53",""
"7714377","14.9257","0.0011","25.67","0.002","9.3216","0.0007","90","","121.295","0.002","90","","3051.9","0.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H27 Cl Co N5 O6 -","- C36 H27 Cl Co N5 O6 -","- C144 H108 Cl4 Co4 N20 O24 -","4","1","","Mandal, Apurba; Rai, Rohit; Saha, Sukanta; Kushwaha, Rajesh; Li , Wei; Gogoi, Hemonta; Mandal, Arif Ali; Yadav, Ashish Kumar; Huang, Huaiyi; Dutta, Arnab; Dhar, Prodyut; Banerjee, Samya","Polypyridyl-based Co(III) Complexes of Vitamin B6 Schiff base for Photoactivated Antibacterial Therapy","Dalton Transactions","2023","","","","","10.1039/D3DT02967K","","","0.71073","MoKα","","0.0448","0.043","","","0.0976","0.0995","","","","","","1.0418","","","","has coordinates","287264","2023-11-05","00:07:56",""
"7714591","11.6686","0.0012","18.4917","0.0012","19.1503","0.0015","90","","95.857","0.008","90","","4110.5","0.6","149.99","","149.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H30 B2 F20 N2 Si -","- C39 H30 B2 F20 N2 Si -","- C156 H120 B8 F80 N8 Si4 -","4","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.0766","0.0522","","","0.12","0.1341","","","","","","1.0232","","","","has coordinates,has disorder","289556","2024-02-04","12:14:21",""
"7714612","17.2323","0.0013","15.072","0.0013","11.45","0.001","90","","100.209","0.003","90","","2926.8","0.4","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H30 Bi2 Br9 N3 -","- C9 H30 Bi2 Br9 N3 -","- C36 H120 Bi8 Br36 N12 -","4","1","","Hu, Cheng-An; Qin, Jian-Peng; Pan, Chun-Yang","Seeking environmentally friendly halide perovskite photocatalysts: synthesis, structure and photocatalytic performance exploration.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","512","519","10.1039/d3dt02990e","","","0.71076","MoKα","","0.0756","0.0539","","","0.128","0.1398","","","","","","1.056","","","","has coordinates,has disorder","289526","2024-02-04","12:02:56",""
"7714699","22.67","0.003","13.9099","0.0019","20.391","0.003","90","","98.872","0.002","90","","6353.1","1.5","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C48 H60 Cu6 Mo24 N40 O91 Si2 -","- C48 H60 Cu6 Mo24 N40 O91 Si2 -","- C96 H120 Cu12 Mo48 N80 O182 Si4 -","2","0.5","","Hou, Yujiao; Han, Peilin; Li, Hao; Zhang, Shixing; Qin, Mengge; Zhang, Nan; Fu, Bingbing; Mao, Ruitao; Ge, Suxiang","Bifunctional 3D POM-based coordination polymers for improved pseudocapacitance and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1541","1550","10.1039/d3dt03650b","","x-ray","0.71073","MoKα","","0.1415","0.0838","","","0.19","0.2257","","","","","","1.03","","","","has coordinates","289513","2024-02-04","11:59:49",""
"7714828","24.7935","0.0004","24.8747","0.0004","21.634","0.0004","90","","102.101","0.002","90","","13045.9","0.4","100.15","","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C95 H122 Cl8 N32 O50 Zn4 -","- C93 H72 Cl7 N32 O44 Zn4 -","- C372 H288 Cl28 N128 O176 Zn16 -","4","1","","Yuan, Juan; Lan, Hai-Rong; Xing, Ai-Ping; Zeng, Dai; Hao, Ya-Ting; Song, Jun-Ying; Lu, Jia-Xing; Zhang, Bin; Wang, Jing; Zhang, Zhen-Qiang","Novel tetranuclear grid-like Zn(II) complexes derived from dihydrazone pyrimidine derivatives as antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2193","2206","10.1039/d3dt02833j","","","1.54184","CuKα","","0.1061","0.1011","","","0.2956","0.3019","","","","","","1.086","","","","has coordinates","289481","2024-02-04","11:49:43",""
"7714959","13.5862","0.0008","19.2934","0.0011","9.704","0.0005","90","","93.0356","0.0018","90","","2540.1","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 B18 Fe O2 -","- C12 H40 B18 Fe O2 -","- C48 H160 B72 Fe4 O8 -","4","1","","Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.","Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3363","3376","10.1039/d3dt03549b","","","0.71073","MoKα","","0.064","0.0397","","","0.0843","0.0899","","","","","","0.987","","","","has coordinates","290195","2024-03-04","20:21:15",""
"7715019","16.3759","0.0004","19.4907","0.0005","27.2707","0.0006","90","","90.159","0.002","90","","8704.2","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H122 Co3 Dy3 N4 O29 -","- C59 H122 Co3 Dy3 N4 O29 -","- C236 H488 Co12 Dy12 N16 O116 -","4","1","","Bonnenfant, Chloë; Vadra, Nahir; Rouzières, Mathieu; Clérac, Rodolphe; Cukiernik, Fabio D.; Alborés, Pablo","Alkyl chain length influence of the functionalized diethanolamine ligand on the slow relaxation of the magnetization in {CoIII3DyIII3} complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2815","2825","10.1039/d3dt03656a","","","0.71073","MoKα","","0.0979","0.0697","","","0.1939","0.2422","","","","","","1.04","","","","has coordinates,has disorder","290169","2024-03-04","20:15:40",""
"7715076","43.403","0.01","11.311","0.003","20.644","0.005","90","","103.059","0.007","90","","9873","4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H92 B20 N2 S2 -","- C36 H92 B20 N2 S2 -","- C288 H736 B160 N16 S16 -","8","2","","Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.","Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4444","4450","10.1039/d3dt04289h","","x-ray","0.71073","MoKα","","0.1161","0.0964","","","0.253","0.2733","","","","","","1.05","","","","has coordinates,has disorder","290924","2024-04-04","23:21:27",""
"7715143","19.4816","0.0005","16.7761","0.0004","25.2397","0.0006","90","","96.189","0.002","90","","8200.9","0.3","150","0.2","150","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C108 H78 Li6 O6 -","- C108 H78 Li6 O6 -","- C432 H312 Li24 O24 -","4","1","","Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli","Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4719","4728","10.1039/d4dt00211c","","x-ray","1.54184","CuKα","","0.0523","0.0466","","","0.1286","0.1366","","","","","","1.055","","","","has coordinates","290923","2024-04-04","23:21:09",""
"7715601","30.4282","0.0003","8.114","0.0001","15.997","0.0001","90","","98.458","0.001","90","","3906.61","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H28 N Nb O5 -","- C18 H28 N Nb O5 -","- C144 H224 N8 Nb8 O40 -","8","2","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0293","0.0286","","","0.0735","0.0741","","","","","","1.06","","","","has coordinates","291629","2024-05-05","02:52:52",""
"7715603","30.4758","0.0004","8.1159","0.0001","16.006","0.0003","90","","98.429","0.001","90","","3916.14","0.1","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H28 N O5 Ta -","- C18 H28 N O5 Ta -","- C144 H224 N8 O40 Ta8 -","8","2","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0348","0.0325","","","0.0831","0.0852","","","","","","1.107","","","","has coordinates","291629","2024-05-05","02:52:58",""
"7715609","22.5655","0.001","26.8138","0.001","17.7992","0.0007","90","","125.705","0.003","90","","8745.4","0.7","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C88.67 H82.33 Co2 F18 N18 O3.75 P2 Si -","- C88.6592 H82.3408 Co2 F18 N18 O3.7556 P2 Si -","- C354.637 H329.363 Co8 F72 N72 O15.0224 P8 Si4 -","4","1","","Barrios, Leoní A; Capó, Nuria; Boulehjour, Hanae; Reta, Daniel; Tejedor, Inés; Roubeau, Olivier; Aromí, Guillem","Modulated spin dynamics of [Co<sub>2</sub>] coordination helicates <i>via</i> differential strand composition.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7611","7618","10.1039/d4dt00629a","","","0.7288","synchrotron","","0.0482","0.045","","","0.1251","0.1281","","","","","","1.037","","","","has coordinates,has disorder","291603","2024-05-05","02:33:33",""
"7715877","17.59","0.0013","8.3808","0.0006","19.0418","0.0016","90","","111.266","0.003","90","","2616","0.4","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H28 Na3 O23 Sm -","- C12 H28 Na3 O23 Sm -","- C48 H112 Na12 O92 Sm4 -","4","1","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting Impact of Coordination Polyhedra and Site Symmetry on the Electronic Energy Levels in Nine-coordinated Eu(III) and Sm(III) Crystals Structures Determined from Single Crystal Luminescence Spectra","Dalton Transactions","2024","","","","","10.1039/D4DT00157E","","","0.71073","MoKα","","0.027","0.0226","","","0.0425","0.0437","","","","","","1.046","","","","has coordinates","291411","2024-04-29","23:00:20",""
"7715960","15.5673","0.0016","21.225","0.002","6.6731","0.0007","90","","95.563","0.005","90","","2194.5","0.4","150","2","150.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H25 N O4 Pt -","- C26 H25 N O4 Pt -","- C104 H100 N4 O16 Pt4 -","4","1","","Li, Zhuoheng; Ekanayake, Akalanka B.; Bartman, Anna E.; Doorn, Jonathan A.; Tivanski, Alexei V.; Pigge, Chris","Detection and disaggregation of amyloid fibrils by luminescent amphiphilic platinum(II) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00882K","","","0.71073","MoKα","","0.0195","0.0175","","","0.0364","0.0368","","","","","","1.016","","","","has coordinates","291762","2024-05-07","22:57:04",""
"8000093","18.69","0.02","11.868","0.01","14.23","0.01","90","","117.052","0.012","90","","2811","4","193.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 B N6 Ru -","- C31 H31 B N6 Ru -","- C124 H124 B4 N24 Ru4 -","4","1","","Saito, Tomoyuki; Kuwata, Shigeki; Ikariya, Takao","Synthesis and Reactivity of Tris(7-azaindolyl)boratoruthenium Complex. Comparison with Poly(methimazolyl)borate Analogue","Chemistry Letters","2006","35","11","1224","","10.1246/cl.2006.1224","","","0.7107","MoKα","","","0.045","","","","0.118","","","","","","1.002","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000153","26.6767","0.0007","13.7847","0.0004","25.0072","0.0006","90","","113.082","0.0012","90","","8459.7","0.4","213.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H26 N O3 P -","- C22 H26 N O3 P -","- C352 H416 N16 O48 P16 -","16","4","","Yuge, Tetsuharu; Kai, Nobuyasu; Hisaki, Ichiro; Miyata, Mikiji; Norimitsu, Tohnai","Topologically Different Two Pseudo-decahedral Hydrogen-bond Networks Composed of Triphenylmethylammonium Phosphonates","Chemistry Letters","2007","36","11","1390","","10.1246/cl.2007.1390","","","1.54187","CuKα","","","0.1146","","","","0.3425","","","","","","1.077","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000228","14.5496","0.0009","25.3475","0.0014","10.4535","0.0007","90","","100.915","0.003","90","","3785.5","0.4","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C192 H168 O24 -","4","1","","Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi","Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.","The journal of physical chemistry letters","2016","7","5","783","788","10.1021/acs.jpclett.6b00179","","","1.54187","CuKα","","0.218","0.064","","","0.121","0.1767","","","","","","0.846","","","","has coordinates","177426","2020-10-21","18:00:00",""
"8000500","39.173","0.004","8.3835","0.0005","8.3225","0.0005","90","","90.789","0.007","90","","2732.9","0.4","296.1","0.2","296.1","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","1","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1291","0.0882","","","0.2059","0.2557","","","","","","1.018","","","","has coordinates","265764","2021-06-04","01:04:19",""
"8100170","15.978","0.005","18.526","0.006","22.547","0.007","90","","97.925","0.005","90","","6610","4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H60.76 Dy2 N4 O13.38 -","- C72 H60.776 Dy2 N4 O13.388 -","- C288 H243.104 Dy8 N16 O53.552 -","4","1","","Li, Xia; Zou, Ying-Quan","Crystal structure of bis(1,10-phenanthroline)bis(3-methylbenzoato)- tetrakis[μ-(3-methylbenzoato-O,O')]didysprosium(III) hydrate (1:1.38), [Dy(C~8~H~7~O~2~)~3~(C~12~H~8~N~2~)]~2~ · 1.38H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","373","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100174","27.037","0.005","5.207","0.001","17.893","0.004","90","","130.28","0.03","90","","1921.9","0.7","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C4 H14 Co N3 O16 P4 Zn4 -","- C4 H14 N3 O16 P4 Zn5 -","- C16 H56 N12 O64 P16 Zn20 -","4","1","","Wang, Yi-Fei; Lin, Feng; Pang, Wei-Qin","Crystal structure of diethylenetriamine-penta[zinc(II),cobalt(II)] tetraphosphate, (C~4~H~14~N~3~)(Zn~4.04~Co~0.96~)(PO~4~)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","387","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100224","10.4446","0.0009","16.371","0.002","9.0553","0.0007","90","","122.42","0.003","90","","1307","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H2 Na O8 P2 Sc -","- H2 Na O8 P2 Sc -","- H16 Na8 O64 P16 Sc8 -","8","2","","Ewald, Bastian; Prots, Yurii; Zhang, Hui; Kniep, Rüdiger","Crystal structure of sodium scandium bis(monohydrogenphosphate), NaSc (HPO~4~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","343","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100369","8.8459","0.0016","24.702","0.006","15.392","0.003","90","","95.119","0.011","90","","3350","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H46 N2 Ni S7 -","- C24 H46 N2 Ni S7 -","- C96 H184 N8 Ni4 S28 -","4","1","","Xu, Wen; Yu, Wen-Tao; Xue, Gang; Fang, Qi","Crystal structure of tetra-n-butylammonium (1,3-dithiol-2-thione-4, 5-dithiolato)-(diethyl-dithiocarbamato-S,S')nickelate(II), (C~16~H~36~N) (C~8~H~10~NNiS~7~)","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","325","327","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8100407","11.1235","0.0009","9.8046","0.0008","8.743","0.0008","90","","90.185","0.007","90","","953.52","0.14","299","2","299","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H6 Hg I3 N O -","- H6 Hg I3 N O -","- H24 Hg4 I12 N4 O4 -","4","1","","Loukil, Mohamed; Kabadou, Ahlem; Svoboda, Ingrid; Ben Salah, Abdelhamid; Fuess, Hartmut","Crystal structure of ammonium triiodidomercurate(II) monohydrate, NH~4~HgI~3~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","269","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100427","23.888","0.005","11.225","0.002","21.431","0.004","90","","112.41","0.03","90","","5312.6","1.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H68 O8 S2 -","- C58 H68 O8 S2 -","- C232 H272 O32 S8 -","4","1","","Paulus, E. F.; Joswig, W.; Boehmer, V.; Saadioui, M.; Krilow, M.; Peikert-Regelien, M.; Urschel, B.","Crystal structure of 5,11,17,23-tetra-t-butyl-25,27-dihydroxy- 26, 28-di-tosyloxy-calix[4]arene, C~58~H~68~O~8~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100449","14.87","0.008","20.778","0.011","14.66","0.007","90","","101.308","0.009","90","","4441","4","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H48 Cu2 F4 N10 O13 -","- C18 H24 Cu F2 N5 O6.5 -","- C144 H192 Cu8 F16 N40 O52 -","8","2","","Zhu, Hai-Liang; Shao, Si-Chang; Ma, Ji-Long; Qiu, Xiao-Yang; Yang, Song; Sun, Lin","Crystal structure of bis[dinitrato-2,5,8-triaza-1,9-di (2-fluorobenzylnonanecopper(II)] monohydrate, Cu(C~18~H~22~F~2~N~5~O~6~)~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","506","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100541","15.462","0.004","11.446","0.002","23.005","0.004","90","","94.199","0.018","90","","4060.5","1.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C192 H176 N16 O24 -","8","2","","Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.","Crystal structure of 2-(O,O-isopropyledene-2,3-dihydroxypropoxy)-3- cyano-4,6-diphenylpyridine, C~24~H~22~N~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","32","34","10.1524/ncrs.2002.217.1.32","","","","","","","","","","","","","","","","","","","","","has coordinates","256924","2020-10-21","18:00:00",""
"8100573","11.682","0.002","21.926","0.004","10.668","0.002","90","","107.6","0.03","90","","2604.6","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H29 N5 O5 S3 -","- C21 H29 N5 O5 S3 -","- C84 H116 N20 O20 S12 -","4","1","","Romba, J.; Steinhauser, S.; Hegetschweiler, K.","Crystal structure of 6-azido-1,4-bis(tosyl)-1,4-diazepane—DMSO (1:1), C~19~H~23~N~5~O~4~S~2~ · C~2~H~6~OS","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","135","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100860","19.52","0.001","11.3663","0.0006","12.171","0.0004","90","","113.952","0.003","90","","2467.8","0.2","123","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H45 B3 N6 -","- C18 H45 B3 N6 -","- C72 H180 B12 N24 -","4","1","","Toury, Berangere; Miele, Philippe; Cornu, David; Lecocq, Sylvain; Bonnetot, Bernard","Crystal structure of 2,4,6-tri(diisopropylamino)borazine, C~18~H~45~B~3~N~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","115","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100910","12.863","0.008","7.422","0.009","14.782","0.01","90","","125.02","0.05","90","","1155.7","1.8","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cd4 Ge Se6 -","- Cd4 Ge Se6 -","- Cd16 Ge4 Se24 -","4","1","","Hesse, K.-F.; Czank, M.; Nemcsics, A.","Crystal structure of cadmium germanium selenide, Cd~4~GeSe~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","39","40","10.1524/ncrs.2001.216.14.39","","","","","","","0.0634","","","0.1705","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00",""
"8100919","17.732","0.002","17.9054","0.0016","20.6992","0.0019","90","","94.111","0.009","90","","6555","1.1","568","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H64 Cd4 N24 O24 S12 -","- C28 H64 Cd4 N24 O24 S12 -","- C112 H256 Cd16 N96 O96 S48 -","4","1","","Zhou, Mei; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Wang, Xin Qiang; Gou, Shi Yi; Meng, Fan Qing","Crystal structure of (DL)-trithioureatartrato-O^1^,O^2^,O^3^-cadmium, C~28~H~64~Cd~4~N~24~O~24~S~12~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","201","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101056","11.107","0.002","6.395","0.001","7.021","0.001","90","","121.17","0.03","90","","426.7","0.18","294","","294","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- Ga2 S3 -","- Ga2 S3 -","- Ga8 S12 -","4","1","","Jones, Camille Y.; Bryan, Jeffrey C.; Kirschbaum, Kristin; Edwards, Jimmie G.","Refinement of the crystal structure of digallium trisulfide, Ga~2~S~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","327","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101116","10.385","0.005","16.748","0.009","13.381","0.007","90","","104.1","0.02","90","","2257.2","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C100 H120 O12 Si4 -","4","1","","Tinant, Bernard; Depré, Dominique; Ghosez, Léon","Crystal structure of (1R,5S,6S,7R)-7-(tert-butyldiphenylsilyloxy)- 6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","643","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101119","10.7295","0.0006","15.1279","0.0008","7.7526","0.0003","90","0.01","108.839","0.003","90","0.01","1191","1","298","","298","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H15 N -","- C15 H15 N -","- C60 H60 N4 -","4","1","","Sourdon, V.; Boyer, G.; Galy, J.-P.","Crystal structure of 4,9-dimethyl-9,10-dihydroacridine, C~15~H~15~N","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","645","646","","","","","","","","0.037","","","0.062","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101175","16.144","0.003","6.239","0.001","16.387","0.004","90","","106.56","0.02","90","","1582.1","0.5","291","1","291","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H19 O P -","- C18 H19 O P -","- C72 H76 O4 P4 -","4","1","","Böduel, Rainer René; Hölemann, Alexandra; Schürmann, Markus; Preut, Hans; Mitchell, Terence","Crystal structure of 1-hexynyl(diphenyl)phosphine oxide, C~18~H~19~OP","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","117","118","","","","","","","","0.0398","","","0.0965","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101374","7.104","0.001","28.784","0.001","5.444","0.001","90","0.01","106.21","0.01","90","0.01","1068.9","0.3","298","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H16 O -","- C13 H16 O -","- C52 H64 O4 -","4","1","","Kakou-Yao, R.; Aycard, J. P.","Crystal structure of (6-phenylcyclohex-3-enyl)methanol, C~13~H~16~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","569","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101522","6.1829","0.0006","34.03","0.003","7.4127","0.0007","90","","90.045","0.002","90","","1559.7","0.2","296.2","","296.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Shan, Yongkui; Zhou, Hongping; Huang, Songping D.","Crystal structure of 1,5-bis(4-methoxyphenyl)-1,4-pentadien-3-one, C~19~H~18~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","381","382","","","","","","","","0.0596","","","0.0859","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101645","5.234","0.004","21.121","0.004","10.243","0.004","90","","93.52","0.08","90","","1130.2","1","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","","Shoja, Massud; Yen, Mei-Wen; Peterson, Luke","Crystal structure of 6-hydroxyflavone, C~15~H~10~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","729","730","","","","","","","","0.044","","","0.05","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101790","5.658","0.005","15.406","0.009","8.234","0.008","90","","93.18","0.09","90","","716.6","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","o-cyanoaniline hydrochloride","","- C7 H7 Cl N2 -","- C7 H7 Cl N2 -","- C28 H28 Cl4 N8 -","4","1","","Oueslati, A.; Kefi, R.; Akriche, S.; Ben Nasr, C.","Crystal structure of o-cyanoaniline hydrochloride, (NCC~6~H~4~NH~3~)Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","365","366","","","","0.7107","MoKα","","0.0205","0.0204","","","0.0524","0.0524","","","","","","1.103","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101855","8.6358","0.0013","15.162","0.002","12.807","0.002","90","","106.599","0.003","90","","1607","0.4","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","2,2-diphenyl-4-dimethylaminopentanenitrile","","- C19 H22 N2 -","- C19 H22 N2 -","- C76 H88 N8 -","4","1","","Amani, A.; Rezanejade Bardajee, G.; Jafarpour, F.; Razaghi, M. O.; Yousefi Behzadi, M.; Haeri, A.","Crystal structure of 2,2-diphenyl-4-dimethyl-aminopentanenitrile, C~19~H~22~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","549","550","","","","0.71073","MoKα","","0.0493","0.044","","","0.0858","0.088","","","","","","1.037","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101940","6.0786","0.0012","19.095","0.004","8.1687","0.0011","90","","95.231","0.012","90","","944.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","rel-(2R,3aS)-2-bromomethyl-3,3a,4,5,6,7-hexahydro-2H-indole 1-oxide","","- C9 H14 Br N O -","- C9 H14 Br N O -","- C36 H56 Br4 N4 O4 -","4","1","","Frey, W.; Gulla, M.; Jäger, V.","Crystal structure of rel-(2R,3aS)-2-bromomethyl-3,3a,4,5,6,7-hexahydro- 2H-indole 1-oxide, C~9~H~14~BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","89","90","","","","0.71073","MoKα","","0.0615","0.047","","","0.1133","0.1198","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102443","12.501","0.005","24.987","0.009","7.667","0.003","90","","108.185","0.007","90","","2275.3","1.5","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","N-[1-(2,6-dichloro-4-trifluoromethyl) phenyl-3-cyano-1H-pyrazol-5-yl]-N'-4-methoxybenzoyl Thioureas","","- C20 H12 Cl2 F3 N5 O2 S -","- C20 H12 Cl2 F3 N5 O2 S -","- C80 H48 Cl8 F12 N20 O8 S4 -","4","1","","Xiao-Hong Zhang; Ping Zhong","Crystal structure of N-[1-(2,6-dichloro-4-trifluoromethyl)phenyl-3-cyano-1H-pyrazol-5-yl]-N'-4-methoxybenzoyl thioureas, C20H12Cl2F3N5O2S","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","395","","","","","0.71073","MoKα","","0.0736","0.0632","","","0.138","0.1437","","","","","","1.146","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102508","8.2953","0.0002","20.7322","0.0003","11.5293","0.0004","90","","92.737","0.002","90","","1980.55","0.09","233","2","233","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,3-dibenzyloxy-2-methylimidazolium hexafluorophosphate, (C~18~H~19~N~2~O~2~)(PF~6~)","","- C18 H19 F6 N2 O2 P -","- C18 H19 F6 N2 O2 P -","- C72 H76 F24 N8 O8 P4 -","4","1","","Alexander Schwärzler; Gerhard Laus; Klaus Wurst; Günther Bonn; Herwig Schottenberger","Crystal structure of 1,3-dibenzyloxy-2-methylimidazolium hexafluorophosphate, [C18H19N2O2][PF6]","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","595","","","","","0.71073","MoKα","","0.0325","0.0295","","","0.0689","0.0702","","","","","","1.087","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102642","13.471","0.002","17.738","0.003","8.5993","0.0015","90","","96.635","0.003","90","","2041","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Man-Sheng Chen; Yi-Fang Deng; Chun-Hua Zhang; Dai-Zhi Kuang","Crystal structure of (bis(4-((1H-imidazol-1-yl)methyl)benzoato)zinc(II), Zn(C11H14N2O2)2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","151","","","","","0.71073","MoKα","","0.052","0.0436","","","0.072","0.0743","","","","","","0.985","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102780","7.4793","0.0015","18.958","0.004","7.3132","0.0015","90","","99.38","0.03","90","","1023.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly{diaqua[μ-(1H-benzimidazole-5,6-dicarboxylate)-κ^4^N:O:O']}- magnesium(II), C~9~H~7~MgN~2~O~6~","","- C9 H7 Mg N2 O6 -","- C9 H7 Mg N2 O6 -","- C36 H28 Mg4 N8 O24 -","4","1","","Lei Teng","Crystal structure of catena-diaqua[m-(1H-benzimidazole-5,6-dicarboxylato)-k4N:O:O']magnesium(II), Mg(H2O)2(C9H3N2O4)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","427","","","","","0.71073","MoKα","","0.0391","0.0342","","","0.0992","0.1257","","","","","","1.033","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102793","18.347","0.006","11.91","0.004","23.415","0.007","90","","104.327","0.005","90","","4957","3","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H58 Ce N3 O21 P4 -","- C26 H58 Ce N3 O21 P4 -","- C104 H232 Ce4 N12 O84 P16 -","4","1","","Rong Wang; Kai-Jun Mu; Shuang-Feng Deng; Qiong-Hua Jin; Cun-Lin Zhang","Crystal structure of bis(O,O'-tetraisopropylmethylenediphosphonate)cerium(III) trinitrate, Ce(NO3)3[CH2P2O2(C3H7O)4]2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","613","","","","","0.71073","MoKα","","0.052","0.0447","","","0.0974","0.0992","","","","","","3.577","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103128","16.9384","0.0018","8.0768","0.0008","16.2652","0.0017","90","","95.124","0.001","90","","2216.3","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","bis(acetylacetonato-κ^2^O,O')(diacetylmethanido-κC) (3-pyridinemethanol)iridium(III), Ir(C~5~H~7~0~2~)~3~(C~6~H~7~NO)","","- C21 H28 Ir N O7 -","- C21 H28 Ir N O7 -","- C84 H112 Ir4 N4 O28 -","4","1","","Qiao-Wen Chang; Chang-Yi Hu; Jia-Lin Chen; Qing-Song Ye; Xi-Zhu Chen; Li-Qiao Chen; Yao Yu; Wei-Ping Liu","Crystal structure of bis(acetylacetonato-?2O,O')-(diacetylmethanido-?C)(3-pyridylmethanol)iridium(III), Ir(C5H7O2)3(C6H7NO)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","355","","","","","0.71073","MoKα","","0.0355","0.0281","","","0.0498","0.0527","","","","","","0.939","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103226","10.8451","0.0019","12.773","0.002","10.8527","0.0017","90","","96.688","0.002","90","","1493.1","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H12 Cl2 N2 O3 -","- C15 H12 Cl2 N2 O3 -","- C60 H48 Cl8 N8 O12 -","4","1","","Zhe Hong; Xiao-Xu Xu; Yan Yu; Peng Liang","Crystal structure of 2-methoxy-N'-(3,5-dichloro-2-hydroxybenzylidene)benzohydrazide, C15H12Cl2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","599","","","","","0.71073","MoKα","","0.055","0.0408","","","0.0756","0.0814","","","","","","0.993","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103412","10.335","","8.992","","16.546","","90","","95.21","","90","","1531.31","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Ag7 Cu (As2 O7)2 Cl","","- Ag7 As4 Cl Cu O14 -","- Ag7 As4 Cl Cu O14 -","- Ag28 As16 Cl4 Cu4 O56 -","4","1","","Effenberger, H.; Pertlik, F.","Crystal structure of Ag5Cu(AsO4)(As2O7) and Ag7Cu(As2O7)2Cl with a survey on pyroarsenate anions","Zeitschrift fuer Kristallographie (149,1979-)","1993","207","","223","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103540","12.501","","11.248","","7.608","","90","","112.21","","90","","990.398","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Tl4 Ge S4","","- Ge S4 Tl4 -","- Ge S4 Tl4 -","- Ge4 S16 Tl16 -","4","1","","Eulenberger, G.","Die Kristallstruktur des Thallium(I)thiogermanats Tl4 Ge S4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","427","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103675","7.29","","10.84","","6.96","","90","","104.7","","90","","532.001","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ba (N3)2 H2 O","","- Ba H2 N6 O -","- Ba N6 O -","- Ba4 N24 O4 -","4","1","","Walitzi, E.M.; Krischner, H.","Die Kristallstruktur von Bariumazidmonohydrat, Ba (N3)2 H2 O","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1973","137","","368","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103828","12.129","","10.858","","10.255","","90","","121.1","","90","","1156.43","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(N2 H5) (Ni (N H2 (N H) (C O O))3) (H2 O)","","- C3 H16 N8 Ni O7 -","- C3 N8 Ni O7 -","- C12 N32 Ni4 O28 -","4","1","","Braibanti, A.; Manotti Lanfredi, A.M.; Tiripicchio, A.","The crystal and molecular structure of hydrazinium tris(hydrazincarboxylato-N,O)niccolate(II) monohydrate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","124","","335","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103837","11.071","","13.951","","10.511","","90","","119.34","","90","","1415.2","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Na5 Ca2 Al (P O4)4","","- Al Ca2 Na5 O16 P4 -","- Al Ca2 Na5 O16 P4 -","- Al4 Ca8 Na20 O64 P16 -","4","1","","Alkemper, J.; Paulus, H.; Fuess, H.","Crystal structure of aluminium dicalcium pentasodium tetrakis(phosphate), Na5 Ca2 Al (P O4)4","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","76","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104012","10.1124","","16.4448","","5.6","","90","","104.304","","90","","902.389","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Mn Na (N H4) (P2 O7) (H2 O)3","","- H10 Mn N Na O10 P2 -","- H10 Mn N Na O10 P2 -","- H40 Mn4 N4 Na4 O40 P8 -","4","1","","Capitelli, F.; Brouzi, K.; Harcharras, M.; Moliterni, A.G.G.; Ennaciri, A.; Bertolasi, V.","Two new ammonium diphosphates: crystal structure of Mn0.5 N H4 H2 P2 O7 * (H2 O) and Mn Na N H4 P2 O7 *3(H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104168","7.86","","11.386","","11.292","","90","","101.96","","90","","988.629","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(Pt (H2 O)2 Cl4) (H2 O)3","","- Cl4 H10 O5 Pt -","- Cl4 O5 Pt -","- Cl16 O20 Pt4 -","4","1","","Rau, F.; Klement, U.; Range, K.J.","Crystal structure of trans-diaquatetrachloroplatinum(IV) trihydrate, Pt (H2 O)2 Cl4 (H2 O)3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","606","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104295","22.093","","8","","10.109","","90","","102.25","","90","","1746.02","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","K2 (S4 O6)","","- K2 O6 S4 -","- K2 O6 S4 -","- K16 O48 S32 -","8","2","","Christidis, P.C.; Rentzeperis, P.J.; Kirfel, A.; Will, G.","Experimental charge density in polythionate anions: Part II X-ray study of the electron density distribution in potassium tetrathionate, K2 S4 O6","Zeitschrift fuer Kristallographie (149,1979-)","1989","188","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","168818","2020-10-21","18:00:00",""
"8104392","10.624","","9.359","","16.275","","90","","110.72","","90","","1513.56","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Ba2 Ni (N3)6 (H2 O)3","","- Ba2 H6 N18 Ni O3 -","- Ba2 H6 N18 Ni O3 -","- Ba8 H24 N72 Ni4 O12 -","4","1","","Walitzi, E. M.; Saracoglu, A. I.; Krischner, H.","Die Kristallstruktur von Ba~2~Ni(N~3~)~6~ (H~2~O)~3~","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","257","261","10.1524/zkri.1984.166.3-4.257","","","","","","","","","","","","","","","","","","","","","has coordinates","189515","2020-10-21","18:00:00",""
"8104574","19.762","0.003","24.69","0.004","12.106","0.002","90","","113.696","0.002","90","","5408.8","1.5","296","2","296.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","3-iodo-N-(2-methanesulfonyl- 1,1-dmethylethyl)-N'-(2-methyl-4-(1,2,2,2-tetrafluoro-1- trifluoromethylethyl)phenyl)phthalamide","","- C184 H176 F56 I8 N16 O32 S8 -","- C184 H176 F56 I8 N16 O32 S8 -","- C184 H176 F56 I8 N16 O32 S8 -","1","0.25","","Luo, Juan; Wang, Jie; Qiu, Gao-Yan; Xiong, Wan-Ming; Peng, Da-Yong","Crystal structure of 3-iodo-N 2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N 1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide, C23H22F7I1N2O4S1","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1235","1238","10.1515/ncrs-2021-0289","","","0.71073","MoKα","","0.0582","0.0488","","","0.1313","0.1411","","","","","","1.043","","","","has coordinates,has disorder","273058","2022-02-21","10:09:23",""
"8104643","15.534","0.007","7.956","0.004","14.589","0.007","90","","119.094","0.008","90","","1575.5","1.3","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Dibromo-(1-methylimidazole)-(2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)\\ propionato-O)-zinc(II), C~11~H~16~Br~2~N~4~O~2~Zn","","- C11 H16 Br2 N4 O2 Zn -","- C11 H16 Br2 N4 O2 Zn -","- C44 H64 Br8 N16 O8 Zn4 -","4","1","","Liu, Pengju; Wang, Zongwei; Guo, Libing; Tang, Junming","Crystal structure of dibromido-(1-methyl-1H-imidazole-κ1 N)-(3-(3-methyl-1H-imidazol-3-ium-1-yl)propanoato-κ1 O)zinc(II), C11H16Br2N4O2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","981","983","10.1515/ncrs-2021-0180","","","0.71073","MoKα","","0.0365","0.0296","","","0.0669","0.0703","","","","","","1.03","","","","has coordinates","273471","2022-03-07","07:41:30",""
"8105023","18.0589","0.0018","12.51","0.0009","13.3659","0.0012","90","","124.522","0.007","90","","2487.9","0.4","113","2","113","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 F6 N3 O P -","- C27 H24 F6 N3 O P -","- C108 H96 F24 N12 O4 P4 -","4","1","","Jiewei, Luo; Shilu, Zhang; Yiming, Liu; Bo, Zhao","The crystal structure of 3-benzyl-1-((8-(benzyloxy)quinolin-2-yl)methyl)-1H-imidazol-3-ium hexafluorophosphate, C27H24N3OF6P","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","79","80","10.1515/ncrs-2019-0498","","","0.71073","MoKα","","0.0609","0.0437","","","0.1076","0.1141","","","","","","0.967","","","","has coordinates","274335","2022-04-05","08:01:07",""
"8105047","15.167","0.005","6.422","0.005","10.969","0.005","90","0.005","117.407","0.005","90","0.005","948.5","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H15 N O5 S -","- C6 H15 N O5 S -","- C24 H60 N4 O20 S4 -","4","1","","Wang, Baogang; Man, Xiaxia","Crystal structure of 2-(bis(2-hydroxyethyl)ammonio)ethane-1-sulfonate, C6H15NO5S","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","167","168","10.1515/ncrs-2019-0554","","","0.71069","MoKα","","0.0301","0.0278","","","0.0738","0.0755","","","","","","1.043","","","","has coordinates","274382","2022-04-06","08:56:12",""
"8105198","10.8839","0.0014","14.2825","0.0018","13.0717","0.0016","90","","108.618","0.003","90","","1925.6","0.4","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H18 Br N3 O4 S -","- C18 H18 Br N3 O4 S -","- C72 H72 Br4 N12 O16 S4 -","4","1","","Feng, Yunqian; Ye, Jianghai; Wang, Peng; Tai, Shuqiong; Lang, Tianqiong","The crystal structure of (Z)-2-(4-(4-bromophenyl)thiazol-2-yl)-4-(3-hydroxybut-2-enoyl)-5-methyl -1,2-dihydro-3H-pyrazol-3-one – methanol (1/1), C18H18N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","261","263","10.1515/ncrs-2021-0451","","","0.71076","MoKα","","0.0727","0.0359","","","0.071","0.0812","","","","","","1.006","","","","has coordinates","275292","2022-05-10","08:01:09",""
"8105606","10.7988","0.0007","15.7684","0.001","8.5906","0.0006","90","","112.302","0.008","90","","1353.38","0.17","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 N2 O2 S -","- C15 H10 N2 O2 S -","- C60 H40 N8 O8 S4 -","4","1","","Xing, Ai-Ping; Zeng, Dai; Zhang, Shu-Ling; Guo, Da-Feng; Chu, Yi-Xin","Crystal structure of 3-(benzo[d]thiazol-2-ylamino)isobenzofuran-1(3H)-one, C15H10N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","247","248","10.1515/ncrs-2018-0285","","x-ray","1.54184","CuKα","","0.0384","0.0353","","","0.0891","0.0922","","","","","","1.068","","","","has coordinates","276477","2022-07-01","07:42:30",""
"8105618","16.146","0.005","14.653","0.004","14.621","0.004","90","","106.052","0.008","90","","3324.3","1.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C132 H144 N48 O24 -","12","3","","Feng, Zhiqiang; Liu, Yujie; He, Yuxuan; Sha, Wenjing; Tang, Jie","Crystal structure of ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, C11H12N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","281","283","10.1515/ncrs-2018-0328","","","0.71073","MoKα","","0.0558","0.0415","","","0.09","0.0965","","","","","","1.042","","","","has coordinates","276516","2022-07-04","07:53:37",""
"8105630","9.3081","0.0002","11.7526","0.0003","24.9876","0.0006","90","","94.184","0.002","90","","2726.22","0.11","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H26 Cd Cl2 N10 -","- C24 H26 Cd Cl2 N10 -","- C96 H104 Cd4 Cl8 N40 -","4","1","","Wang, Xia; Ling, Ning; Yang, Jing; Song, Ning","Crystal structure of dichlorido bis[1-((2,4-dimethyl-1H-imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN]cadmium(II), Cd(C12H13N5)2Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","321","323","10.1515/ncrs-2018-0370","","x-ray","0.71073","MoKα","","0.0534","0.0412","","","0.0524","0.0581","","","","","","1.016","","","","has coordinates","276530","2022-07-04","09:15:48",""
"8105634","12.098","0.0011","10.0628","0.0009","15.1518","0.0014","90","","104.231","0.001","90","","1788","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H6 Cl6 O4 -","- C15 H6 Cl6 O4 -","- C60 H24 Cl24 O16 -","4","1","","Yun-Lian, Shi; Tao, Huang; Xu-Liang, Nie; Da-Yong, Peng; Jin-Chuan, Liu; Bao-Tong, Li","Crystal structure of bis(2,4,6-trichlorophenyl) malonate, C15H6Cl6O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","331","332","10.1515/ncrs-2018-0394","","","0.71073","MoKα","","0.0221","0.0214","","","0.0562","0.0568","","","","","","1.041","","","","has coordinates","276534","2022-07-04","09:27:05",""
"8105745","11.1235","0.0005","15.3724","0.0005","8.111","0.0003","90","","109.398","0.001","90","","1308.21","0.09","170","","170","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Zhang, Jingxiao; Zhao, Xiaoxiao; Cai, Chenyu","The crystal structure of N-cyclohexyl-3-hydroxy-4-methoxybenzamide, C14H19NO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","543","545","10.1515/ncrs-2022-0066","","","0.71073","MoKα","","0.0334","0.03","","","0.0676","0.0703","","","","","","1.055","","","","has coordinates","277582","2022-09-02","07:33:22",""
"8105747","11.6502","0.0008","13.8752","0.0008","7.9644","0.0005","90","","106.051","0.002","90","","1237.25","0.14","170","","170","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Zhang, Jingxiao; Guo, Shubin; Guo, Yongnan; Yang, Yanliang","The crystal structure of N-cyclopentyl-3-hydroxy-4-methoxybenzamide, C13H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","551","553","10.1515/ncrs-2022-0070","","","0.71073","MoKα","","0.0605","0.0425","","","0.0898","0.1023","","","","","","1.101","","","","has coordinates","277584","2022-09-02","07:39:52",""
"8106042","44.1382","0.0007","8.1854","0.0001","21.8699","0.0003","90","","109.207","0.001","90","","7461.53","0.19","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C55 H126 N14 O22 -","- C55 H126 N14 O22 -","- C220 H504 N56 O88 -","4","1","","Zai, Yanbing; Zhu, Linlin; Wu, Xiangxiang","Crystal structure of the salt tris(guanidinium) tris(tetrapropylammonium) bis(pyridine-2,4,6-tricarboxylate) – water (1/10), C55H126N14O22","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","57","60","10.1515/ncrs-2017-0137","","","0.71073","MoKα","","0.049","0.0418","","","0.1131","0.1187","","","","","","1.022","","","","has coordinates","279180","2022-11-10","08:27:34",""
"8106044","23.7684","0.0016","13.5683","0.001","10.0223","0.0007","90","","94.405","0.002","90","","3222.6","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H54 Co2 N8 O15 S2 -","- C68 H54 Co2 N8 O15 S2 -","- C136 H108 Co4 N16 O30 S4 -","2","0.5","","Li, Wei; Sun, Xuan; Suo, Jian; Xing, Yanpeng; Wang, Daguang","Crystal structure of poly{[μ2-1,1′-(sulfonylbis(4,1-phenylene))bis(2-methyl-1H-imidazole)-κ2 N:N′][μ2-4,4′-oxydibenzoato-κ2 O:O′]cobalt(II)} hemihydrate, C34H27N4O7.5SCo","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","65","66","10.1515/ncrs-2017-0148","","","0.71073","MoKα","","0.0741","0.0427","","","0.0715","0.0815","","","","","","1.012","","","","has coordinates","279182","2022-11-10","08:34:58",""
"8106097","11.8142","0.001","45.481","0.004","9.254","0.0008","90","","97.886","0.002","90","","4925.4","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 Cu N4 O4 -","- C24 H32 Cu N4 O4 -","- C192 H256 Cu8 N32 O32 -","8","2","","Wang, Wan-Wan; Wu, Wei-Na; Wang, Yuan","Crystal structure of bis(5,5′-((butane-1,4-diylbis(azanylylidene))bis(methanylylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido-k4 N,N′,N′′,N′′′)copper(II), C24H32CuN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","195","197","10.1515/ncrs-2017-0189","","","0.71073","MoKα","","0.079","0.0501","","","0.1081","0.1188","","","","","","1.039","","","","has coordinates","279291","2022-11-15","10:02:26",""
"8106101","17.225","0.004","14.918","0.003","11.589","0.003","90","","118.957","0.003","90","","2605.6","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H26 Cl2 Cu N2 O7 -","- C26 H26 Cl2 Cu N2 O7 -","- C104 H104 Cl8 Cu4 N8 O28 -","4","1","","Gao, Xiaoli; Zhu, Kai; Wang, Wenmin; Lu, Liping","The crystal structure of catena-poly[aquachlorido(3,3′-([4,4′-bipyridine]-1,1′-diium-1,1′-diylbis(methylene))dibenzoato-κ2 O:O′)copper(II)] chloride dihydrate, C26H26Cl2CuN2O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","209","211","10.1515/ncrs-2017-0201","","","0.71073","MoKα","","0.0374","0.0334","","","0.0794","0.0819","","","","","","1.012","","","","has coordinates","279295","2022-11-15","10:15:20",""
"8106244","14.337","0.003","15.549","0.003","8.0212","0.0016","90","","103.33","0.03","90","","1740","0.6","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 F N2 O2 -","- C19 H21 F N2 O2 -","- C76 H84 F4 N8 O8 -","4","1","","Ikram, Muhammad; Khan, Momin; Ahmad, Sajjad; Rehman, Sadia; Schulzke, Carola","The crystal structure of 4-tert-butyl-N′-[(E)-(4-fluoro-3-methoxyphenyl)methylidene]benzohydrazide, C19H21F1N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","643","645","10.1515/ncrs-2017-0408","","","0.71073","MoKα","","0.0855","0.0796","","","0.2056","0.2192","","","","","","1.103","","","","has coordinates","279543","2022-11-24","10:04:25",""
"8106417","13.9896","0.0009","21.9561","0.0014","7.1643","0.0005","90","","91.782","0.006","90","","2199.5","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H19 N5 O2 -","- C28 H19 N5 O2 -","- C112 H76 N20 O8 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Alamri, Mesfer; Kariuki, Benson M.","Crystal structure of 2-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-indene-1,3(2H)-dione, C28H19N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","19","20","10.1515/ncrs-2016-0108","","","0.71073","MoKα","","0.1105","0.0632","","","0.1376","0.1727","","","","","","0.992","","","","has coordinates","280146","2023-01-06","08:17:40",""
"8106487","14.1945","0.0007","8.1107","0.0003","15.3834","0.0006","90","","115.472","0.006","90","","1598.9","0.14","105.6","","105.6","","","","","","","","","5","C 1 c 1","C -2yc","9","4-chloro-3,5-dinitroaniline","4-chloro-3,5-dinitroaniline","","- C6 H4 Cl N3 O4 -","- C6 H4 Cl N3 O4 -","- C48 H32 Cl8 N24 O32 -","8","2","","Jianlong, Wang; Tianbei, Zhang; Lizhen, Chen","The crystal structure of 4-chloro-3,5-dinitroaniline, C6H4ClN3O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","215","216","10.1515/ncrs-2016-0210","","","0.7107","MoKα","","0.0277","0.0269","","","0.0664","0.0669","","","","","","1.059","","","","has coordinates","280382","2023-01-17","10:23:29",""
"8106493","3.923","0.0003","26.578","0.002","11.7147","0.0012","90","","94.028","0.008","90","","1218.42","0.18","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>Z</i>)-3-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Radi, Smaail; Tighadouini, Said; Eddike, Driss; Mabkhot, Yahia N.; Tillard, Monique","Crystal structure of (Z)-3-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one, C15H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","235","236","10.1515/ncrs-2016-0219","","","0.71073","MoKα","","0.0453","0.0387","","","0.0823","0.0877","","","","","","1.054","","","","has coordinates","280434","2023-01-19","08:40:11",""
"8106526","6.8354","0.0009","13.8221","0.0017","10.2905","0.0012","90","","90.625","0.011","90","","972.2","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of 1,1-dimethyl-3-(4-methylphenyl)urea, C10H14N2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","329","330","10.1515/ncrs-2016-0290","","","0.71073","MoKα","","0.0709","0.0526","","","0.1256","0.1335","","","","","","0.996","","","","has coordinates","280499","2023-01-21","08:54:13",""
"8106742","15.5806","0.001","10.5071","0.001","16.9748","0.0015","90","","110.729","0.002","90","","2599","0.4","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","bromido(4,4'-dimethoxy-2,2'-bipyridine-N,N')(isopropyl(diphenyl)phosphane-κP)copper(I)","","","- C27 H29 Br Cu N2 O2 P -","- C27 H29 Br Cu N2 O2 P -","- C108 H116 Br4 Cu4 N8 O8 P4 -","4","1","","Fettouhi, Mohammed","Crystal structure of bromido(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)(isopropyl(diphenyl)phosphane-κP)copper(I), C27H29BrCuN2O2P","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","985","986","10.1515/ncrs-2017-0119","","","0.71073","MoKα","","0.02","0.0186","","","0.0441","0.0445","","","","","","0.891","","","","has coordinates","280845","2023-02-09","10:11:58",""
"8107591","9.8171","0.0004","16.1119","0.0006","6.9125","0.0005","90","","121.443","0.001","90","","932.81","0.09","170","","170","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H12 N4 O4 -","- C6 H12 N4 O4 -","- C24 H48 N16 O16 -","4","1","","Cong, Chen; Ruxin, Zhang; Shiyu, Li; Lizhen, Chen; Jianlong, Wang","The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C6H12O4N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","885","886","10.1515/ncrs-2023-0256","","","0.71073","MoKα","","0.0385","0.0346","","","0.086","0.0894","","","","","","1.062","","","","has coordinates","286872","2023-10-10","07:22:47",""
"8107607","32.036","0.003","7.2154","0.0007","7.4283","0.0008","90","","99.943","0.002","90","","1691.3","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-aminiumbiphenyl benzenesulfonate","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Shi, Chengzhe; Chen, Xinlei; Jin, Shouwen; Chen, Shiyi; Wang, Daqi","The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C18H17NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","945","947","10.1515/ncrs-2023-0292","","x-ray","0.71073","MoKα","","0.0448","0.0343","","","0.0763","0.0821","","","","","","1.058","","","","has coordinates","286909","2023-10-11","08:37:16",""
"9000009","5.31","","9.2","","28.46","","90","","97.14","","90","","1379.55","","","","","","","","","","","","Structure results from data of many samples","4","C 1 c 1","C -2yc","9","","","Vermiculite","- H2 Mg3 O12 Si4 -","- H2 Mg3 O12 Si4 -","- H8 Mg12 O48 Si16 -","4","1","","Gruner, J. W.","The structures of vermiculites and their collapse by dehydration","American Mineralogist","1934","19","","557","575","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000016","5.33","","9.18","","28.85","","90","","93.25","","90","","1409.34","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","Vermiculite","- H2 Mg3 O12 Si4 -","- H2 Mg3 O12 Si4 -","- H8 Mg12 O48 Si16 -","4","1","","Hendricks, S. B.; Jefferson, M. E.","Crystal structure of vermiculites and mixed vermiculite-chlorites","American Mineralogist","1938","23","","851","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000024","9.2","","5.3","","60","","90","","90","","90","","2925.6","","","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","Lepidolite","- Al F H K Mg3 O11 Si3 -","- Al F H K Mg3 O11 Si3 -","- Al12 F12 H12 K12 Mg36 O132 Si36 -","12","3","","Hendricks, S. B.; Jefferson, M. E.","Polymorphism of the micas with optical measurements","American Mineralogist","1939","24","","729","771","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000060","5.33","","9.18","","28.9","","90","","97","","90","","1403.52","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","Vermiculite","- Al0.721 Fe0.24 H3 Mg1.338 O9 Si1.36 -","- Al0.721 Fe0.24 H3 Mg1.338 O9 Si1.36 -","- Al2.884 Fe0.96 H12 Mg5.352 O36 Si5.44 -","4","1","","Mathieson, A. M.; Walker, G. F.","Crystal structure of magnesium-vermiculite","American Mineralogist","1954","39","","231","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000122","5.15","","8.94","","14.736","","90","","103.58","","90","","659.492","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","Dickite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","1","","Bailey, S. W.","Polymorphism of the kaolin minerals","American Mineralogist","1963","48","","1196","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000289","6.688","","8.944","","7.57","","90","","121.17","","90","","387.447","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Tilasite","- As Ca F Mg O4 -","- As Ca F Mg O4 -","- As4 Ca4 F4 Mg4 O16 -","4","1","","Bladh, K. W.; Corbett, R. K.; McLean, W. J.; Laughon, R. B.","The crystal structure of tilasite","American Mineralogist","1972","57","","1880","1884","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000409","9.53","","11.49","","5.098","","90","","91.21","","90","","558.105","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","Wodginite","- Fe0.01 Mn Nb0.3 O8 Sn0.47 Ta2.12 -","- Fe0.01 Mn Nb0.3 O8 Sn0.47 Ta2.12 -","- Fe0.04 Mn4 Nb1.2 O32 Sn1.88 Ta8.48 -","4","1","","Graham, J.; Thornber, M. R.","The crystal chemistry of complex niobium and tantalum oxides II. Composition and structure of wodginite from Wodgina, Australia","American Mineralogist","1974","59","","1040","1044","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000466","5.1038","","8.8287","","19.148","","90","","95.46","","90","","858.893","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Margarite-2M1","- Al4 Ca H2 O12 Si2 -","- Al4 Ca H2 O12 Si2 -","- Al16 Ca4 H8 O48 Si8 -","4","1","","Guggenheim, S.; Bailey, S. W.","Refinement of the margarite structure in subgroup symmetry","American Mineralogist","1975","60","","1023","1029","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000520","18.524","","5.0032","","23.81","","90","","105.82","","90","","2123.11","","","","","","","","","","","","Steinbach meteorite, Saxony, Germany","2","C 1 c 1","C -2yc","9","","","Tridymite","- O2 Si -","- O2 Si -","- O96 Si48 -","48","12","","Dollase, W. A.; Baur, W. H.","The superstructure of meteoritic low tridymite solved by computer simulation","American Mineralogist","1976","61","","971","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000604","5.104","","8.829","","19.148","","90","","95.5","","90","","858.898","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Margarite","- Al4 Ca H2 O12 Si2 -","- Al4 Ca H2 O12 Si2 -","- Al16 Ca4 H8 O48 Si8 -","4","1","","Guggenheim, S.; Bailey, S. W.","Refinement of the margarite structure in subgroup symmetry: correction, further refinement, and comments","American Mineralogist","1978","63","","186","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000653","5.721","","30.992","","6.25","","90","","117.26","","90","","985.083","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Ardealite","- Ca H4 O6 P0.5 S0.5 -","- Ca H4 O6 P0.5 S0.5 -","- Ca8 H32 O48 P4 S4 -","8","2","","Sakae, T.; Nagata, H.; Sudo, T.","The crystal structure of synthetic calcium phosphate - sulfate hydrate, Ca2HPO4SO4.4H2O, and its relation to brushite and gypsum","American Mineralogist","1978","63","","520","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000869","5.058","","8.763","","19.111","","90","","95.39","","90","","843.316","","","","","","","","","","","","Mops pegmatite, Salisbury district, Zimbabwe","7","C 1 c 1","C -2yc","9","","","Mica","- Al3.68 Be0.58 Ca H2 Li0.5 O12 Si1.74 -","- Al3.68 Be0.58 Ca H2 Li0.5 O12 Si1.74 -","- Al14.72 Be2.32 Ca4 H8 Li2 O48 Si6.96 -","4","1","","Lin, J. C.; Guggenheim, S.","The crystal structure of a Li,Be-rich brittle mica: a dioctahedral-trioctahedral intermediate","American Mineralogist","1983","68","","130","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001889","5.158","","8.94","","28.498","","90","","96.6","","90","","1305.41","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Cookeite","- Al4.99 H8 Li0.86 O18 Si3.04 -","- Al4.99 H8 Li0.86 O18 Si3.04 -","- Al19.96 H32 Li3.44 O72 Si12.16 -","4","1","","Zheng, H.; Bailey, S. W.","Refinement of the cookeite ""r"" structure","American Mineralogist","1997","82","","1007","1013","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9002265","12.3049","","7.1056","","28.2478","","90","","98.2416","","90","","2444.3","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Parisite-(Ce)","- C3 Ca0.977 Ce2.023 F2 O9 -","- C3 Ca0.976667 Ce2.02333 F2 O9 -","- C36 Ca11.72 Ce24.28 F24 O108 -","12","3","","Ni, Y.; Post, J. E.; Hughes, J. M.","The crystal structure of parisite-(Ce), Ce2CaF(CO3)3 sample: from Muso Mine, Columbia","American Mineralogist","2000","85","","251","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9003081","5.161","","8.96","","14.459","","90","","96.77","","90","","663.959","","","","","","","","100","","","","","4","C 1 c 1","C -2yc","9","","","Dickite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","1","","Dera, P.; Prewitt, C. T.; Japel, S.; Bish, D. L.; Johnston, C. T.","Pressure-controlled polytypism in hydrous layered materials Sample: Low pressure dickite at P = 0.1 MPa","American Mineralogist","2003","88","","1428","1435","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003082","5.082","","8.757","","13.771","","90","","89.6","","90","","612.837","","","","","","","","4100000","","","","","4","C 1 c 1","C -2yc","9","","","Dickite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","1","","Dera, P.; Prewitt, C. T.; Japel, S.; Bish, D. L.; Johnston, C. T.","Pressure-controlled polytypism in hydrous layered materials Sample: High pressure dickite at P = 4.1 GPa","American Mineralogist","2003","88","","1428","1435","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003634","6.48","","19.293","","9.8984","","90","","107.56","","90","","1179.82","","","","","","","","990000","","","","","5","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2 H6 Na2 O13 Si3 -","- Al2 H6 Na2 O13 Si3 -","- Al8 H24 Na8 O52 Si12 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced stabilization of ordered paranatrolite: A new insight into the paranatrolite controversy Sample: at P = 0.99 GPa","American Mineralogist","2005","90","","252","257","10.2138/am.2005.1588","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003883","6.58","","19.002","","9.936","","90","","108.97","","90","","1174.86","","","","","","","","400000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2.315 Ca0.474 H2.03 Na1.462 O13 Si2.685 -","- Al2.315 Ca0.474 H6 Na1.462 O13 Si2.685 -","- Al9.26 Ca1.896 H24 Na5.848 O52 Si10.74 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 0.4 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003884","6.567","","18.963","","9.975","","90","","108.49","","90","","1178.06","","","","","","","","800000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2.315 Ca0.474 H2.02 Na1.462 O13 Si2.685 -","- Al2.315 Ca0.474 H6 Na1.462 O13 Si2.685 -","- Al9.26 Ca1.896 H24 Na5.848 O52 Si10.74 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 0.8 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003885","6.556","","18.95","","9.972","","90","","108.47","","90","","1175.07","","","","","","","","1100000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2.315 Ca0.474 H2.02 Na1.462 O13 Si2.685 -","- Al2.315 Ca0.474 H6 Na1.462 O13 Si2.685 -","- Al9.26 Ca1.896 H24 Na5.848 O52 Si10.74 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 1.1 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003886","6.512","","18.85","","9.901","","90","","108.73","","90","","1151","","","","","","","","2500000","","","","Mt. Saint-Hilaire, Quebec, Canada","6","C 1 c 1","C -2yc","9","","","Paranatrolite","- Al2.315 Ca0.474 H2.02 Na1.462 O13 Si2.685 -","- Al2.315 Ca0.474 H6 Na1.462 O13 Si2.685 -","- Al9.26 Ca1.896 H24 Na5.848 O52 Si10.74 -","4","1","","Lee, Y.; Hriljac, J. A.; Parise, J. B.; Vogt, T.","Pressure-induced hydration in zeolite tetranatrolite Note: P = 2.5 GPa","American Mineralogist","2006","91","","247","251","10.2138/am.2006.1847","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9004545","14.236","","8.206","","24.225","","90","","93.52","","90","","2824.64","","","","","","","","","","","","","8","C 1 c 1","C -2yc","9","","","Arakiite","- Al0.74 As3 Fe1.26 H23 Mg4.23 Mn8.06 O34 Zn0.71 -","- Al0.74 As3 Fe1.26 H23 Mg4.23 Mn8.06 O34 Zn0.71 -","- Al2.96 As12 Fe5.04 H92 Mg16.92 Mn32.24 O136 Zn2.84 -","4","1","","Cooper, M. A.; Hawthorne, F. C.","The effect of differences in coordination on ordering of polyvalent cations in close-packed structures: The crystal structure of arakiite and comparison with hematolite","The Canadian Mineralogist","1999","37","","1471","1482","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005118","11.897","","9.707","","9.633","","90","","95.76","","90","","1106.84","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Weinebeneite","- Be3 Ca H12 O14 P2 -","- Be3 Ca H10 O14 P2 -","- Be12 Ca4 H40 O56 P8 -","4","1","","Walter, F.","Weinebeneite, CaBe3(PO4)2(OH)2.4H2O, a new mineral species: mineral data and crystal structure","European Journal of Mineralogy","1992","4","","1275","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005270","5.007","","8.6004","","8.2169","","90","","91.512","","90","","353.715","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tridymite","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Graetsch, H.; Topalovic-Dierdorf I","29Si MAS NMR spectrum and superstructure of modulated tridymite L3-To(MX-1) Sample: average crystal structure","European Journal of Mineralogy","1996","8","","103","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005285","5.292","","9.187","","19.935","","90","","95.4","","90","","964.891","","","","","","","","","","","","Barbora mine, Krupka, Czech Republic","8","C 1 c 1","C -2yc","9","","","Zinnwaldite-2M1","- Al1.79 F0.91 Fe1.334 H1.09 K0.978 Li0.486 O11.09 Si3.11 -","- Al1.79 F0.91 Fe1.334 H1.09 K0.978 Li0.486 O11.09 Si3.11 -","- Al7.16 F3.64 Fe5.336 H4.36 K3.912 Li1.944 O44.36 Si12.44 -","4","1","","Rieder, M.; Hybler, J.; Smrcok, L.; Weiss, Z.","Refinement of the crystal structure of zinnwaldite 2M_1","European Journal of Mineralogy","1996","8","","1241","1248","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005446","11.276","","7.343","","22.642","","90","","97.28","","90","","1859.64","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","Clinotobermorite","- Ca5 H10 O22 Si6 -","- Ca5 H10 O22 Si6 -","- Ca20 H40 O88 Si24 -","4","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO1 data collected at Pisa","European Journal of Mineralogy","2000","12","","411","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:37",""
"9005545","6.533","","19.03","","9.83","","90","","109.95","","90","","1148.76","","","","","","","","100","","","","","5","C 1 c 1","C -2yc","9","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of scolecite Sample: P = .0001 GPa","European Journal of Mineralogy","2002","14","","567","574","10.1127/0935-1221/2002/0014-0567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:42",""
"9005546","6.471","","18.804","","9.723","","90","","109.79","","90","","1113.23","","","","","","","","1770000","","","","","5","C 1 c 1","C -2yc","9","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of scolecite Sample: P = 1.77 GPa","European Journal of Mineralogy","2002","14","","567","574","10.1127/0935-1221/2002/0014-0567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:47",""
"9005547","6.43","","18.631","","9.363","","90","","109.6","","90","","1056.67","","","","","","","","3380000","","","","","5","C 1 c 1","C -2yc","9","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of scolecite Sample: P = 3.38 GPa","European Journal of Mineralogy","2002","14","","567","574","10.1127/0935-1221/2002/0014-0567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:57",""
"9005548","6.542","","18.842","","9.863","","90","","109.89","","90","","1143.23","","","","","","","","100","","","","","5","C 1 c 1","C -2yc","9","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of scolecite Sample: P = .0001 GPa (after compression) Note: y-coordinate of O5 altered to match bond lengths","European Journal of Mineralogy","2002","14","","567","574","10.1127/0935-1221/2002/0014-0567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:02",""
"9005948","16.436","","12.436","","9.966","","90","","115.63","","90","","1836.6","","","","15","","","","","","","","San Benito, California, USA","7","C 1 c 1","C -2yc","9","","","Neptunite","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","4","1","","Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.","Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 15 K","Physics and Chemistry of Minerals","1991","18","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005949","16.43","","12.436","","9.963","","90","","115.6","","90","","1835.84","","","","110","","","","","","","","San Benito, California, USA","7","C 1 c 1","C -2yc","9","","","Neptunite","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","4","1","","Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.","Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 110 K","Physics and Chemistry of Minerals","1991","18","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005950","16.427","","12.478","","9.975","","90","","115.56","","90","","1844.54","","","","293","","","","","","","","San Benito, California, USA","7","C 1 c 1","C -2yc","9","","","Neptunite","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","4","1","","Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.","Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 293 K","Physics and Chemistry of Minerals","1991","18","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005951","16.426","","12.532","","9.995","","90","","115.51","","90","","1856.89","","","","493","","","","","","","","San Benito, California, USA","7","C 1 c 1","C -2yc","9","","","Neptunite","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","4","1","","Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.","Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 493 K","Physics and Chemistry of Minerals","1991","18","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006299","6.6395","","8.0488","","5.4184","","90","","99.9967","","90","","285.163","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 16","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007428","16.27","","5.632","","13.23","","90","","134.8","","90","","860.212","","","","","","","","","","","","Scawt Hill, Northern Ireland","4","C 1 c 1","C -2yc","9","","","Afwillite","- Ca3 H6 O10 Si2 -","- Ca3 H6 O10 Si2 -","- Ca12 H24 O40 Si8 -","4","1","","Megaw, H. D.","The structure of afwillite, Ca3(SiO3OH)2*2H2O","Acta Crystallographica","1952","5","","477","491","10.1107/S0365110X52001404","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007478","12.862","","4.411","","13.22","","90","","98.63","","90","","741.535","","","","","","","","","","","","Braunsdorf, Saxony","3","C 1 c 1","C -2yc","9","","","Miargyrite","- Ag S2 Sb -","- Ag S2 Sb -","- Ag8 S16 Sb8 -","8","2","","Knowles, C. R.","A redetermination of the structure of miargyrite, AgSbS2","Acta Crystallographica","1964","17","","847","851","10.1107/S0365110X64002274","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007501","5.592","","13.029","","7.341","","90","","97.05","","90","","530.808","","","","","","","","","","","","Synthetic","4","C 1 c 1","C -2yc","9","","","Bonattite","- Cu H6 O7 S -","- Cu H6 O7 S -","- Cu4 H24 O28 S4 -","4","1","","Zahrobsky, R. F.; Baur, W. H.","On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic","Acta Crystallographica, Section B","1968","24","","508","513","10.1107/S0567740868002748","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:20:56",""
"9007611","16.278","","5.6321","","13.236","","90","","134.898","","90","","859.577","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","Afwillite","- Ca3 H6 O10 Si2 -","- Ca3 H6 O10 Si2 -","- Ca12 H24 O40 Si8 -","4","1","","Malik, K. M. A.; Jeffery, J. W.","A re-investigation of the structure of afwillite","Acta Crystallographica, Section B","1976","32","","475","480","10.1107/S0567740876003270","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008260","5.09","","15.829","","5.386","","90","","103.26","","90","","422.379","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Clinohedrite","- Ca H2 O5 Si Zn -","- Ca H2 O5 Si Zn -","- Ca4 H8 O20 Si4 Zn4 -","4","1","","Venetopoulos, C. C.; Rentzeperis, P. J.","Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O","Zeitschrift fur Kristallographie","1976","144","","377","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9009235","8.906","","5.146","","15.664","","90","","113.58","","90","","657.944","","","","","","","","","","","","Red Mountain near Silverton, Colorado, USA","4","C 1 c 1","C -2yc","9","","","Nacrite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","1","","Zheng, H.; Bailey, S. W.","Refinement of the nacrite structure","Clays and Clay Minerals","1994","42","","46","52","10.1346/CCMN.1994.0420106","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9010069","16.552","","10.0529","","24.6477","","90","","106.509","","90","","3932.19","","","","","","","","","","","","","12","C 1 c 1","C -2yc","9","","","Arrojadite-(KNa)","- Al Ca0.91 F0.03 Fe9.18 H2.97 K0.83 Mg2.8 Mn1.02 Na5.01 O50 P12 Sr0.01 -","- Al Ca0.91 F0.03 Fe9.18 H2.97 K0.83 Mg2.8 Mn1.02 Na5.01 O49.97 P12 Sr0.01 -","- Al4 Ca3.64 F0.12 Fe36.72 H11.88 K3.32 Mg11.2 Mn4.08 Na20.04 O199.88 P48 Sr0.04 -","4","1","","Camara, F.; Oberti, R.; Chopin, C.; Medenbach, O.","The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Rapid Creek, Yukon, Canada","American Mineralogist","2006","91","","1249","1259","10.2138/am.2006.2189","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9010070","16.3992","","9.94","","24.4434","","90","","105.489","","90","","3839.76","","","","","","","","","","","","","14","C 1 c 1","C -2yc","9","","","Arrojadite-(SrFe)","- Al Ba0.2 Ca0.59 F0.9 Fe6.61 H2.1 K0.03 Mg3.6 Mn3.39 Na2.94 O49.1 P12 Pb0.03 Sr0.93 -","- Al Ba0.2 Ca0.59 F0.9 Fe6.61 H2.1 K0.03 Mg3.6 Mn3.39 Na2.94 O49.1 P12 Pb0.03 Sr0.93 -","- Al4 Ba0.8 Ca2.36 F3.6 Fe26.44 H8.4 K0.12 Mg14.4 Mn13.56 Na11.76 O196.4 P48 Pb0.12 Sr3.72 -","4","1","","Camara, F.; Oberti, R.; Chopin, C.; Medenbach, O.","The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Horrsjoberg, Varmland, Sweden","American Mineralogist","2006","91","","1249","1259","10.2138/am.2006.2189","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9010071","16.69","","10.1013","","24.8752","","90","","105.616","","90","","4038.93","","","","","","","","","","","","","14","C 1 c 1","C -2yc","9","","","Dickinsonite-(KMnNa)","- Al Ba0.01 Ca0.51 F0.03 Fe3.8 H1.97 K0.5 Li0.3 Mn9.7 Na4.92 O50 P12 Pb0.01 Sr0.05 -","- Al Ba0.01 Ca0.51 F0.03 Fe3.8 H1.97 K0.5 Li0.3 Mn9.7 Na4.92 O49.97 P12 Pb0.01 Sr0.05 -","- Al4 Ba0.04 Ca2.04 F0.12 Fe15.2 H7.88 K2 Li1.2 Mn38.8 Na19.68 O199.88 P48 Pb0.04 Sr0.2 -","4","1","","Camara, F.; Oberti, R.; Chopin, C.; Medenbach, O.","The arrojadite enigma: I. A new formula and a new model for the arrojadite structure Sample: Branchville, Connecticut, USA","American Mineralogist","2006","91","","1249","1259","10.2138/am.2006.2189","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9010435","19.6441","","7.0958","","18.7029","","90","","115.692","","90","","2349.27","","","","","","","","","","","","Upper Devonian granite, near Lake Boga, northern Victoria, Australia","8","C 1 c 1","C -2yc","9","","","Lakebogaite","- Al0.09 Ca0.87 Fe1.91 H15.72 Na1.13 O29 P4 U1.888 -","- Al0.09 Ca0.87 Fe1.91 H16 Na1.13 O29 P4 U1.888 -","- Al0.36 Ca3.48 Fe7.64 H64 Na4.52 O116 P16 U7.552 -","4","1","","Mills, S. J.; Birch, W. D.; Kolitsch, U.; Mumme, W. G.; Grey, I. E.","Lakebogaite, CaNaFe3+2H(UO2)2(PO4)4(OH)2(H2O)8, a new uranyl phosphate with a unique crystal structure from Victoria, Australia Locality: Upper Devonian granite, near Lake Boga, northern Victoria, Australia","American Mineralogist","2008","93","","691","697","10.2138/am.2008.2706","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010631","31.2329","","5.2398","","9.0966","","90","","106.933","","90","","1424.16","","","","","","","","","","","","Esquire #1 claim, Rush Creek, Fresno County, California","6","C 1 c 1","C -2yc","9","","","Kampfite","- C2 Al1.3 Ba3 Cl1.24 O14 Si2.7 -","- C2 Al1.3 Ba3 Cl1.24 O14 Si2.7 -","- C8 Al5.2 Ba12 Cl4.96 O56 Si10.8 -","4","1","","Basciano, L. C.; Groat, L. A.","The crystal structure of kampfite","The Canadian Mineralogist","2007","45","","935","943","10.2113/gscanmin.45.4.935","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010659","15.8213","","9.1364","","13.7522","","90","","112.44","","90","","1837.35","","","","","","","","","","","","""Cava Fabi,"" talc quarry near Lanzada, Val Malenco, Lombardy, Italy","9","C 1 c 1","C -2yc","9","","","Mckelveyite-(Y)","- C6 H6 Ba2.79 Ca0.95 Ce0.13 Na1.07 O21 Sr0.31 Y0.74 -","- C6 H6 Ba2.79 Ca0.95 Ce0.13 Na1.07 O21 Sr0.31 Y0.74 -","- C24 H24 Ba11.16 Ca3.8 Ce0.52 Na4.28 O84 Sr1.24 Y2.96 -","4","1","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Diella, V.","The crystal structure of mckelveyite-(Y)-2M, a new monoclinic polytype from Val Malenco, Italian Alps Locality: ""Cava Fabi,"" talc quarry near Lanzada, Val Malenco, Lombardy, Italy","The Canadian Mineralogist","2008","46","","195","203","10.3749/canmin.46.1.195","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011102","12.83","","9.026","","13.44","","90","","123","","90","","1305.31","","","","","","","","","","","","Synthetic","4","C 1 c 1","C -2yc","9","","","Natron","- C H20 Na2 O13 -","- C H20 Na2 O13 -","- C4 H80 Na8 O52 -","4","1","","Taga, T.","Crystal structure of Na2CO3*10H2O","Acta Crystallographica, Section B","1969","25","","2656","2657","10.1107/S0567740869006236","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011882","8.012","","15.79","","7.019","","90","","100.78","","90","","872.3","","","","","","","","","","","","hydrothermalites, Lovozero alkaline massif, Kola Peninsula, Russia","9","C 1 c 1","C -2yc","9","","","Rouvilleite","- C3 Ca1.361 Dy0.02 F0.987 Fe0.06 Mn0.439 Na3 O9 Y0.034 -","- C12 Ca5.444 Dy0.08 F3.948 Fe0.24 Mn1.756 Na12 O36 Y0.136 -","- C12 Ca5.444 Dy0.08 F3.948 Fe0.24 Mn1.756 Na12 O36 Y0.136 -","","","","Yamnova, N. A.; Pushcharovskii D Yu; Khomyakov, A. P.; Vyatkin, S. V.","Crystal structure of the new natural fluorocarbonate Na3Ca(Mn,Ca)(CO3)3F","Soviet Physics - Crystallography","1991","36","","14","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9011893","20.78","","7.45","","12.05","","90","","117.1","","90","","1660.67","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","Sorensenite","- Be2 H4 Na4 O20 Si6 Sn -","- Be2 H4 Na4 O20 Si6 Sn -","- Be8 H16 Na16 O80 Si24 Sn4 -","4","1","","Maksimova, N. V.; Ilyukhin, V. V.; Belov, N. V.","Crystal structure of sorensenite","Soviet Physics Doklady","1974","18","","681","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012520","9.026","","9.01","","12.841","","90","","100.19","","90","","1027.81","","","","","","","","","","","","Synthetic","5","C 1 c 1","C -2yc","9","","","","- H8 O14 P2 Sr V2 -","- H32 O56 P8 Sr4 V8 -","- H32 O56 P8 Sr4 V8 -","","","","Kang, H. Y.; Lee, W. C.; Wang, S. L.","Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)","Inorganic Chemistry","1992","31","","4743","4748","10.1021/ic00049a007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05",""
"9012521","9.03","","9.021","","12.874","","90","","100.16","","90","","1032.27","","","","","","","","","","","","Synthetic","5","C 1 c 1","C -2yc","9","","","","- H6 O14 P2 Pb V2 -","- H24 O56 P8 Pb4 V8 -","- H24 O56 P8 Pb4 V8 -","","","","Kang, H. Y.; Lee, W. C.; Wang, S. L.","Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)","Inorganic Chemistry","1992","31","","4743","4748","10.1021/ic00049a007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05",""
"9012547","7.799","","7.79","","8.23","","90","","119.95","","90","","433.237","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","Matteuccite","- H3 Na O5 S -","- H3 Na O5 S -","- H12 Na4 O20 S4 -","4","1","","Grimvall, S.","The crystal structure of NaHSO4H2O","Acta Chemica Scandinavica","1971","25","","3213","3219","10.3891/acta.chem.scand.25-3213","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05",""
"9012666","8.91","","5.144","","14.593","","90","","100.5","","90","","657.642","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","Nacrite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","1","","Zhukhlistov, A. P.","Crystal structure of nacrite from the electron diffraction data","Crystallography Reports","2008","53","","76","82","10.1134/S1063774508010094","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012778","16.4821","","12.5195","","10.0292","","90","","115.474","","90","","1868.31","","","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","Mangan-neptunite","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","","","","Zolotarev, A. A.; Krivovichev, S. V.; Yakovenchuk, V. N.","Refinement of the mangan-neptunite structure Locality: synthetic Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364","Zapiski Vserossijskogo Mineralogicheskogo Obshchetstva","2007","136","","118","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9012818","17.11299","","4.872","","5.548","","90","","90.59","","90","","462.537","","","","","","","","","","","","Manono, Katanga, Democratic Republic of the Congo","3","C 1 c 1","C -2yc","9","","","Thoreaulite","- O6 Sn Ta2 -","- O24 Sn4 Ta8 -","- O24 Sn4 Ta8 -","","","","Maksimova, N. V.; Ilyukhin, V. V.; Belov, N. V.","Crystal structure of thoreaulite, SaTa2O6","Soviet Physics Doklady","1975","20","","528","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9013114","16.45","","12.492","","9.995","","90","","115.32","","90","","1856.59","","","","","","","","","","","","metamorphosed manganese ore deposit, Tanohata mine, Iwate Prefecture, Japan","10","C 1 c 1","C -2yc","9","","","Watatsumiite","- Ba0.05 K0.95 Li Mg0.431 Mn1.569 Na2 O24 Si8 Ti0.34 V1.66 -","- Ba0.05 K0.95 Li Mg0.431 Mn1.569 Na2 O24 Si8 Ti0.34 V1.66 -","- Ba0.2 K3.8 Li4 Mg1.724 Mn6.276 Na8 O96 Si32 Ti1.36 V6.64 -","4","1","","Matsubara, S.; Miyawaki, R.; Kurosawa, M.; Suzuki, Y.","Watatsumiite, KNa2LiMn2V2Si8O24, a new mineral from the Tanohata mine, Iwate Prefecture, Japan Locality: metamorphosed manganese ore deposit, Tanohata mine, Iwate Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2003","98","","142","150","10.2465/jmps.98.142","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9013382","26.686","","15.127","","13.014","","90","","108.11","","90","","4993.23","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","4","C 1 c 1","C -2yc","9","","","Steropesite","- Bi Br0.558 Cl5.322 Tl3 -","- Bi16 Br8.928 Cl85.152 Tl48 -","- Bi16 Br8.928 Cl85.152 Tl48 -","","","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.","Steropesite, Tl3BiCl6, a new thallium bismuth chloride from La Fossa crater, Vulcano, Aeolian Islands, Italy Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2009","47","","373","380","10.3749/canmin.47.2.373","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013704","6.8973","","11.954","","17.602","","90","","101.302","","90","","1423.15","","","","","","","","","","","","Mponeng Mine, South Africa","3","C 1 c 1","C -2yc","9","","","Pyrrhotite","- Fe2.747 Ni0.253 S3 -","- Fe43.956 Ni4.044 S48 -","- Fe43.956 Ni4.044 S48 -","","","","De Villiers, J. P. R.; Liles, D. C.","The crystal-structure and vacancy distribution in 6C pyrrhotite","American Mineralogist","2010","95","","148","152","10.2138/am.2010.3266","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:02:00",""
"9013811","7.473","","11.294","","18.778","","90","","101.6","","90","","1552.49","","","","","","","","","","","","Rouma Island, Los Archipelago, Guinea","9","C 1 c 1","C -2yc","9","","","Roumaite","- Ca3.19 Ce1.22 F3 H Na2.07 Nb0.55 O15 Si4 Ti0.45 -","- Ca3.19 Ce1.22 F3 H Na2.07 Nb0.55 O15 Si4 Ti0.45 -","- Ca12.76 Ce4.88 F12 H4 Na8.28 Nb2.2 O60 Si16 Ti1.8 -","4","1","","Biagioni, C.; Bonaccorsi, E.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.; Chevrier, V.; Bersani, D.","Roumaite, (Ca,Na)3(Ca,REE,Na)4(Nb,Ti)[Si2O7]2(OH)F3, from Rouma Island, Los Archipelago, Guinea: A new mineral species related to dovyrenite","The Canadian Mineralogist","2010","48","","17","28","10.3749/canmin.48.1.17","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013919","5.1474","","8.9386","","14.39","","90","","96.483","","90","","657.858","","","","12","","","","","","","","St. Claire, Pennsylvania, USA","4","C 1 c 1","C -2yc","9","","","Dickite","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","- Al8 H16 O36 Si8 -","","","","Bish, D. L.; Johnston, C. T.","Rietveld refinement and Fourier-transform infrared spectroscopic study of the dickite structure at low temperature Note: Sample at T = 12 K","Clays and Clay Minerals","1993","41","","297","304","10.1346/CCMN.1993.0410304","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013939","5.1375","","8.9178","","14.389","","90","","96.74","","90","","654.679","","","","","","","","","","","","Kilantyubinsk mine, USSR","4","C 1 c 1","C -2yc","9","","","Dickite","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","- Al8 H16 O36 Si8 -","","","","Joswig, W.; Drits, V. A.","The orientation of the hydroxyl groups in dickite by X-ray diffraction Note: z-coordinate of Si1 altered to reproduce reported bond lengths","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","1986","","19","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9014220","6.607","","11.7125","","20.6848","","90","","91.998","","90","","1599.71","","","","","","","","","","","","Penobsquis deposit, Sussex, New Brunswick, Canada","5","C 1 c 1","C -2yc","9","","","Veatchite","- B11 Ca0.62 H7 O22 Sr1.38 -","- B11 Ca0.62 H7 O22 Sr1.38 -","- B44 Ca2.48 H28 O88 Sr5.52 -","4","1","","Grice, J. D.; Pring, A.","Veatchite: structural relationships of the three polytypes Note: moderate-T, high-P polytype veatchite-2M","American Mineralogist","2012","97","","489","495","10.2138/am.2012.3889","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014939","16.549","","10.053","","24.618","","90","","106.55","","90","","3925.95","","","","","","","","","","","","Rapid Creek, Yukon, Canada","8","C 1 c 1","C -2yc","9","","","Arrojadite-(KNa)","- Al Ca0.984 Fe10.54 K0.902 Mg2.46 Na4.858 O50 P12 -","- Al4 Ca3.936 Fe42.16 K3.608 Mg9.84 Na19.432 O200 P48 -","- Al4 Ca3.936 Fe42.16 K3.608 Mg9.84 Na19.432 O200 P48 -","","","","Steele, I. M.","Arrojadite: variations in space group and composition based on four new refinements Sample: red06ye","General Meeting of the International Mineralogical Association","2002","18","","MO2","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015151","16.531","","10.004","","24.644","","90","","105.943","","90","","3918.77","","","","","","","","","","","","Palermo No. 1 mine, Groton, New Hampshire, USA","10","C 1 c 1","C -2yc","9","","","Arrojadite-(KNa)","- Al Ba0.06 Ca0.23 Fe11.69 K0.68 Mg1.85 Na4.459 O50 P12 Sr0.23 -","- Al4 Ba0.24 Ca0.92 Fe46.76 K2.72 Mg7.4 Na17.836 O200 P48 Sr0.92 -","- Al4 Ba0.24 Ca0.92 Fe46.76 K2.72 Mg7.4 Na17.836 O200 P48 Sr0.92 -","","","","Steele, I. M.","Arrojadite: variations in space group and composition based on four new refinements Sample: arropala","General Meeting of the International Mineralogical Association","2002","18","","MO2","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016057","4.6893","","3.4268","","5.1321","","90","","99.653","","90","","81.302","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tenorite","- Cu O -","- Cu4 O4 -","- Cu4 O4 -","","","","Asbrink, S.; Waskowska, A.","CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = 196 K","Journal of Physics: Condensed Matter","1991","3","","8173","8180","10.1088/0953-8984/3/42/012","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016300","5.108","","8.844","","19.156","","90","","95.48","","90","","861.42","","","","","","","","","","","","Greiner, Zillertal, Autria","8","C 1 c 1","C -2yc","9","","","Margarite","- Al4 Ca0.725 H1.98 Li0.105 Mg0.105 Na0.21 O12 Si2 -","- Al16 Ca2.9 H7.92 Li0.42 Mg0.42 Na0.84 O48 Si8 -","- Al16 Ca2.9 H7.92 Li0.42 Mg0.42 Na0.84 O48 Si8 -","","","","Joswig, W.; Takeuchi, Y.; Fuess, H.","Neutron-diffraction study on the orientation of hydroxyl groups in margarite","Zeitschrift fur Kristallographie","1983","165","","295","303","10.1524/zkri.1983.165.1-4.295","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016326","4.6927","","3.4283","","5.137","","90","","99.546","","90","","81.5","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tenorite","- Cu O -","- Cu4 O4 -","- Cu4 O4 -","","","","Asbrink, S.; Waskowska, A.","CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = room temperature","Journal of Physics: Condensed Matter","1991","3","","8173","8180","10.1088/0953-8984/3/42/012","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017298","18.494","","4.991","","25.832","","90","","117.75","","90","","2110.15","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tridymite","- O2 Si -","- O96 Si48 -","- O96 Si48 -","","","","Kato, V. K.; Nukui, A.","Die kristallstruktur des monoklinen tief-tridymits","Acta Crystallographica, Section B","1976","32","","2486","2491","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:53",""
"9017415","12.281","","7.142","","9.371","","90","","115.48","","90","","741.993","","","","","","","","","","","","theoretical","3","C 1 c 1","C -2yc","9","","","Vaterite","- C Ca O3 -","- C12 Ca12 O36 -","- C12 Ca12 O36 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:47",""
"9017531","3.756","","15.876","","5.852","","90","","90","","90","","348.956","","","","","","","","","","","","Tao and Ma districts, Fengning County, Chengde Prefecture, Hebei Province, China","4","C 1 c 1","C -2yc","9","","","Daomanite","- As Cu Pt S2 -","- As4 Cu4 Pt4 S8 -","- As4 Cu4 Pt4 S8 -","","","","Ding, K.; He, C.; Zheng, Q.","Determination of daomanite crystal structure","Kexue Tongbao","1982","27","","62","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:59",""
"9017634","5.0864","","8.8186","","19.1098","","90","","95.445","","90","","853.301","","","","100","","","","","","","","the Harding pegmatite, Picuris Range, New Mexico, USA","8","C 1 c 1","C -2yc","9","","","Bityite","- Al3.756 Be0.244 Ca0.771 H1.69 Li0.413 Na0.229 O12 Si2 -","- Al15.024 Be0.976 Ca3.084 H6.76 Li1.652 Na0.916 O48 Si8 -","- Al15.024 Be0.976 Ca3.084 H6.76 Li1.652 Na0.916 O48 Si8 -","","","","Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.","A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: X-ray, T = 100 K","Mineralogical Magazine","2014","78","","55","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:44",""
"9017636","5.059","","8.7909","","19.0176","","90","","95.459","","90","","841.937","","","","20","","","","","","","","the Harding pegmatite, Picuris Range, New Mexico, USA","8","C 1 c 1","C -2yc","9","","","Bityite","- Al3.89 Be0.11 Ca0.79 H1.69 Li0.266 Na0.21 O12 Si2 -","- Al15.56 Be0.44 Ca3.16 H6.76 Li1.066 Na0.84 O48 Si8 -","- Al15.56 Be0.44 Ca3.16 H6.76 Li1.066 Na0.84 O48 Si8 -","","","","Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.","A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: Neutron, T = 20 K","Mineralogical Magazine","2014","78","","55","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:47",""
"9017641","18.284","","12.073","","9.535","","90","","108.1","","90","","2000.63","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian islands, Italy","8","C 1 c 1","C -2yc","9","","","Therasiaite","- Cl5 Fe2 H3 K1.746 N2.254 Na2 O12 S3 -","- Cl20 Fe8 H36.064 K6.984 N9.016 Na8 O48 S12 -","- Cl20 Fe8 H36.064 K6.984 N9.016 Na8 O48 S12 -","","","","Demartin, F.; Castellano, C.; Campostrini, I.","Therasiaite, (NH4)3KNa2Fe2+Fe3+(SO4)3Cl5, a new sulfate chloride from La Fossa Crater, Vulcano, Aeolian islands, Italy","Mineralogical Magazine","2014","78","","203","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:48",""
"9017734","16.5345","","10.04057","","24.6261","","90","","105.891","","90","","3932.08","","","","","","","","","","","","Palermo No. 1 mine, New Hampshire, USA","9","C 1 c 1","C -2yc","9","","","Manganoarrojadite-(KNa)","- Al Ca0.12 Fe9.1 K0.874 Mg1.1 Mn3.68 Na4.752 O50 P12 -","- Al4 Ca0.48 Fe36.4 K3.496 Mg4.4 Mn14.72 Na19.008 O200 P48 -","- Al4 Ca0.48 Fe36.4 K3.496 Mg4.4 Mn14.72 Na19.008 O200 P48 -","","","","Lykova, I.; Rowe, R.; Poirier, G.; Helwig, K.; Friis, H.","Manganoarrojadite-(KNa), KNa5MnFe13Al(PO4)11(PO3OH)(OH)2, a new arrojadite-group mineral from the Palermo No. 1 mine, New Hampshire, USA","Mineralogical Magazine","2020","84","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:18",""